Task: Update CHARMM36 2024 and add water models (openmm/openmm#4989)

org: openmm
repo: openmm
pr_number: 4989
issue_title: Update CHARMM36 2024 and add water models
issue_body: Include fixes and improvements from openmm/openmmforcefields#386, and add solvent XML files specifically intended for use with the 2024 release of CHARMM36 (differences include new NBFIXes and changed NBFIX parameters).  Fixes #4976.
resolved_issues: number: 4976
title: Issues with the new charmm36_2024.xml and water
body: I am getting an error adding water using the new charm forcefield.  
I modified the modeller to print out the script that causes the issue of self._scripts (code attached), hope that helps to fix it.

```
pdb = PDBFile(pdb_file)
forcefield = ForceField('charmm36_2024.xml',"charmm36/water.xml")
modeller = Modeller(fixer.topology, fixer.positions)
modeller.addSolvent(forcefield, padding=5.0*unit.nanometers)
```

[script_causing_the_crash.txt](https://github.com/user-attachments/files/20847095/script_causing_the_crash.txt)

Traceback (most recent call last):
  File "/home/ubuntu/test.py", line 34, in <module>
    modeller.addSolvent(forcefield, padding=5.0*unit.nanometers)
  File "/venv/lib/python3.11/site-packages/openmm/app/modeller.py", line 662, in addSolvent
    self._addIons(forcefield, numTotalWaters, waterPos, positiveIon=positiveIon, negativeIon=negativeIon, ionicStrength=ionicStrength, neutralize=neutralize, residueTemplates=newResidueTemplates)
  File "/venv/lib/python3.11/site-packages/openmm/app/modeller.py", line 311, in _addIons
    system = forcefield.createSystem(self.topology, residueTemplates=residueTemplates)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/venv/lib/python3.11/site-packages/openmm/app/forcefield.py", line 1433, in createSystem
    exec(script, locals())
  File "<string>", line 49, in <module>
IndexError: list index out of range


## IMPORTANT INSTRUCTIONS

1. If you edit a python file, you MUST run 'make PythonInstall' inside the build directory
2. If you edit a c++ file, you MUST run 'make -j4 && make install" inside the build directory

Reference solution:
fix_patch: diff --git a/docs-source/usersguide/application/02_running_sims.rst b/docs-source/usersguide/application/02_running_sims.rst
index 06414e3550..1485c9f8a8 100644
--- a/docs-source/usersguide/application/02_running_sims.rst
+++ b/docs-source/usersguide/application/02_running_sims.rst
@@ -590,31 +590,31 @@ for full references).
 
 .. tabularcolumns:: |l|L|
 
-=================================  ============================================
-File                               Parameters
-=================================  ============================================
-:file:`charmm36_2024.xml`          Protein, DNA, RNA, lipids, carbohydrates, and small molecules
-:file:`charmm36/water.xml`         Default CHARMM water model (a modified version of TIP3P\ :cite:`Jorgensen1983`) and ions
-:file:`charmm36/spce.xml`          SPC/E water model\ :cite:`Berendsen1987` and ions
-:file:`charmm36/tip3p-pme-b.xml`   TIP3P-PME-B water model\ :cite:`Price2004` and ions
-:file:`charmm36/tip3p-pme-f.xml`   TIP3P-PME-F water model\ :cite:`Price2004` and ions
-:file:`charmm36/tip4pew.xml`       TIP4P-Ew water model\ :cite:`Horn2004` and ions
-:file:`charmm36/tip4p2005.xml`     TIP4P-2005 water model\ :cite:`Abascal2005` and ions
-:file:`charmm36/tip5p.xml`         TIP5P water model\ :cite:`Mahoney2000` and ions
-:file:`charmm36/tip5pew.xml`       TIP5P-Ew water model\ :cite:`Rick2004` and ions
-=================================  ============================================
+=====================================  =========================================
+File                                   Parameters
+=====================================  =========================================
+:file:`charmm36_2024.xml`              Protein, DNA, RNA, lipids, carbohydrates, and small molecules
+:file:`charmm36_2024/water.xml`        Default CHARMM water model (a modified version of TIP3P\ :cite:`Jorgensen1983`) and ions
+:file:`charmm36_2024/spce.xml`         SPC/E water model\ :cite:`Berendsen1987` and ions
+:file:`charmm36_2024/tip3p-pme-b.xml`  TIP3P-PME-B water model\ :cite:`Price2004` and ions
+:file:`charmm36_2024/tip3p-pme-f.xml`  TIP3P-PME-F water model\ :cite:`Price2004` and ions
+:file:`charmm36_2024/tip4pew.xml`      TIP4P-Ew water model\ :cite:`Horn2004` and ions
+:file:`charmm36_2024/tip4p2005.xml`    TIP4P-2005 water model\ :cite:`Abascal2005` and ions
+:file:`charmm36_2024/tip5p.xml`        TIP5P water model\ :cite:`Mahoney2000` and ions
+:file:`charmm36_2024/tip5pew.xml`      TIP5P-Ew water model\ :cite:`Rick2004` and ions
+=====================================  =========================================
 
 The file :file:`charmm36_2024.xml` bundles everything but the water and ions into a single
 file.  In most cases, you can simply include that file, plus one of the water models,
-such as :file:`charmm36/water.xml`, which specifies the default CHARMM water model
+such as :file:`charmm36_2024/water.xml`, which specifies the default CHARMM water model
 (a modified version of TIP3P\ :cite:`Jorgensen1983`) and ions:
 ::
 
-    forcefield = ForceField('charmm36_2024.xml', 'charmm36/water.xml')
+    forcefield = ForceField('charmm36_2024.xml', 'charmm36_2024/water.xml')
 
-.. tip:: The solvent model XML files included under the :file:`charmm36/` directory
+.. tip:: The solvent model XML files included under the :file:`charmm36_2024/` directory
          include both water *and* ions compatible with that water model, so if you
-         mistakenly specify :file:`tip3p.xml` instead of :file:`charmm36/water.xml`,
+         mistakenly specify :file:`tip3p.xml` instead of :file:`charmm36_2024/water.xml`,
          you run the risk of having :class:`ForceField` raise an exception due to
          missing parameters for ions in your system.
 
@@ -641,6 +641,13 @@ such as :file:`charmm36/water.xml`, which specifies the default CHARMM water mod
          `CHARMM-GUI <http://charmm-gui.org/>`_, it's easiest to load
          the PSF file directly, as discussed in Section :numref:`using-charmm-files`.
 
+.. warning:: Solvent model files in the :file:`charmm36_2024/` directory are
+             designed for use with :file:`charmm36_2024.xml`, and those in the
+             :file:`charmm36/` directory are designed for use with an older
+             release of the CHARMM force field found in :file:`charmm36.xml` and
+             described below.  Be sure to load the correct version of the
+             solvent model you wish to use along with the main force field file.
+
 .. warning:: Some residues and patches are not included in this port of
              CHARMM36, either due to a lack of support for certain CHARMM
              features in `ParmEd <https://github.com/parmed/parmed>`_, or
@@ -764,6 +771,7 @@ File                           Force Field
 :code:`amber03.xml`            Amber03\ :cite:`Duan2003`
 :code:`amber10.xml`            Amber10 (documented in the AmberTools_ manual as `ff10`)
 :code:`charmm36.xml`           July 2017 release of the CHARMM36 force field without CHARMM36m protein parameters
+:code:`charmm36/*.xml`         Parameters for water models and ions specifically for use with :code:`charmm36.xml`
 :code:`charmm_polar_2013.xml`  2013 version of the CHARMM polarizable force field\ :cite:`Lopes2013`
 :code:`charmm_polar_2019.xml`  2019 version of the CHARMM polarizable force field\ :cite:`Lopes2013`
 =============================  ==================================================================================
diff --git a/wrappers/python/openmm/app/data/charmm36.xml b/wrappers/python/openmm/app/data/charmm36.xml
index 99085f10ce..d98e27011c 100644
--- a/wrappers/python/openmm/app/data/charmm36.xml
+++ b/wrappers/python/openmm/app/data/charmm36.xml
@@ -103763,4 +103763,12 @@
     <NBFixPair epsilon="0.8631592000000001" sigma="0.25134925534893393" type1="MG" type2="SO"/>
     <NBFixPair epsilon="0.8414024" sigma="0.25219560913116723" type1="MG" type2="SS1"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/spce.xml b/wrappers/python/openmm/app/data/charmm36/spce.xml
index 475dca6ffb..7160a613ab 100644
--- a/wrappers/python/openmm/app/data/charmm36/spce.xml
+++ b/wrappers/python/openmm/app/data/charmm36/spce.xml
@@ -121,4 +121,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip3p-pme-b.xml b/wrappers/python/openmm/app/data/charmm36/tip3p-pme-b.xml
index 64e993e9fd..eeeef0cc8b 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip3p-pme-b.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip3p-pme-b.xml
@@ -121,4 +121,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip3p-pme-f.xml b/wrappers/python/openmm/app/data/charmm36/tip3p-pme-f.xml
index ed4083e6d8..b6cdbdb0b6 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip3p-pme-f.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip3p-pme-f.xml
@@ -121,4 +121,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip4p2005.xml b/wrappers/python/openmm/app/data/charmm36/tip4p2005.xml
index 3c9a57eded..6fe5f095a1 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip4p2005.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip4p2005.xml
@@ -127,4 +127,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip4pew.xml b/wrappers/python/openmm/app/data/charmm36/tip4pew.xml
index 1c6a1f08ff..026353640f 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip4pew.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip4pew.xml
@@ -127,4 +127,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip5p.xml b/wrappers/python/openmm/app/data/charmm36/tip5p.xml
index 57f09d98fe..e13fdeead6 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip5p.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip5p.xml
@@ -129,4 +129,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/tip5pew.xml b/wrappers/python/openmm/app/data/charmm36/tip5pew.xml
index 7696af7450..d21cc20e40 100644
--- a/wrappers/python/openmm/app/data/charmm36/tip5pew.xml
+++ b/wrappers/python/openmm/app/data/charmm36/tip5pew.xml
@@ -129,4 +129,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OC2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28419669108676826" type1="OG2D2" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36/water.xml b/wrappers/python/openmm/app/data/charmm36/water.xml
index 73828b013c..1310ee096c 100644
--- a/wrappers/python/openmm/app/data/charmm36/water.xml
+++ b/wrappers/python/openmm/app/data/charmm36/water.xml
@@ -127,4 +127,12 @@
     <NBFixPair epsilon="0.31388368000000005" sigma="0.2877602859593296" type1="OG2D2" type2="SOD"/>
     <NBFixPair epsilon="0.31388368000000005" sigma="0.28152399493234725" type1="OG2P1" type2="SOD"/>
   </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
diff --git a/wrappers/python/openmm/app/data/charmm36_2024.xml b/wrappers/python/openmm/app/data/charmm36_2024.xml
index e4d3f4f6ea..e8a09317b6 100644
--- a/wrappers/python/openmm/app/data/charmm36_2024.xml
+++ b/wrappers/python/openmm/app/data/charmm36_2024.xml
@@ -1,6 +1,6 @@
 <ForceField>
   <Info>
-    <DateGenerated>2025-05-02</DateGenerated>
+    <DateGenerated>2025-06-23</DateGenerated>
     <Source Source="toppar/top_all36_prot.rtf" md5hash="4e53dc8450d0533691e95e37c2648d20" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/top_all36_prot.rtf</Source>
     <Source Source="toppar/par_all36m_prot.prm" md5hash="ff62b63c74f62fde2e1a458c0eaa29c9" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/par_all36m_prot.prm</Source>
     <Source Source="toppar/top_all36_na.rtf" md5hash="ffd9d681ff73591157e2458e336ab4a3" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/top_all36_na.rtf</Source>
@@ -60776,183 +60776,6 @@
     <Type class="HAL3" element="H" mass="1.008" name="LPC14-H14X" />
     <Type class="HAL3" element="H" mass="1.008" name="LPC14-H14Y" />
     <Type class="HAL3" element="H" mass="1.008" name="LPC14-H14Z" />
-    <Type class="SL" element="S" mass="32.06" name="SB3-10-S" />
-    <Type class="OSL" element="O" mass="15.9994" name="SB3-10-O1" />
-    <Type class="OSL" element="O" mass="15.9994" name="SB3-10-O2" />
-    <Type class="OSL" element="O" mass="15.9994" name="SB3-10-O3" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C25" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H25A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H25B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C24" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H24A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H24B" />
-    <Type class="NTL" element="N" mass="14.007" name="SB3-10-N" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C1" />
-    <Type class="CTL5" element="C" mass="12.011" name="SB3-10-C21" />
-    <Type class="CTL5" element="C" mass="12.011" name="SB3-10-C22" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C23" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H1A" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H1B" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H21A" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H21B" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H21C" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H22A" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H22B" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H22C" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H23A" />
-    <Type class="HL" element="H" mass="1.008" name="SB3-10-H23B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C2" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H2A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H2B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C3" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H3A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H3B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C4" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H4A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H4B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C5" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H5A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H5B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C6" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H6A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H6B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C7" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H7A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H7B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C8" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H8A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H8B" />
-    <Type class="CTL2" element="C" mass="12.011" name="SB3-10-C9" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H9A" />
-    <Type class="HAL2" element="H" mass="1.008" name="SB3-10-H9B" />
-    <Type class="CTL3" element="C" mass="12.011" name="SB3-10-C10" />
-    <Type class="HAL3" element="H" mass="1.008" name="SB3-10-H10A" />
-    <Type class="HAL3" element="H" mass="1.008" name="SB3-10-H10B" />
-    <Type class="HAL3" element="H" mass="1.008" name="SB3-10-H10C" />
-    <Type class="SL" element="S" mass="32.06" name="SB3-12-S" />
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-      <Atom charge="0.09" name="H6A" type="SB3-12-H6A" />
-      <Atom charge="0.09" name="H6B" type="SB3-12-H6B" />
-      <Atom charge="-0.18" name="C7" type="SB3-12-C7" />
-      <Atom charge="0.09" name="H7A" type="SB3-12-H7A" />
-      <Atom charge="0.09" name="H7B" type="SB3-12-H7B" />
-      <Atom charge="-0.18" name="C8" type="SB3-12-C8" />
-      <Atom charge="0.09" name="H8A" type="SB3-12-H8A" />
-      <Atom charge="0.09" name="H8B" type="SB3-12-H8B" />
-      <Atom charge="-0.18" name="C9" type="SB3-12-C9" />
-      <Atom charge="0.09" name="H9A" type="SB3-12-H9A" />
-      <Atom charge="0.09" name="H9B" type="SB3-12-H9B" />
-      <Atom charge="-0.18" name="C10" type="SB3-12-C10" />
-      <Atom charge="0.09" name="H10A" type="SB3-12-H10A" />
-      <Atom charge="0.09" name="H10B" type="SB3-12-H10B" />
-      <Atom charge="-0.18" name="C11" type="SB3-12-C11" />
-      <Atom charge="0.09" name="H11A" type="SB3-12-H11A" />
-      <Atom charge="0.09" name="H11B" type="SB3-12-H11B" />
-      <Atom charge="-0.27" name="C12" type="SB3-12-C12" />
-      <Atom charge="0.09" name="H12A" type="SB3-12-H12A" />
-      <Atom charge="0.09" name="H12B" type="SB3-12-H12B" />
-      <Atom charge="0.09" name="H12C" type="SB3-12-H12C" />
-      <Bond atomName1="S" atomName2="O1" />
-      <Bond atomName1="S" atomName2="O2" />
-      <Bond atomName1="S" atomName2="O3" />
-      <Bond atomName1="S" atomName2="C25" />
-      <Bond atomName1="C25" atomName2="H25A" />
-      <Bond atomName1="C25" atomName2="H25B" />
-      <Bond atomName1="C25" atomName2="C24" />
-      <Bond atomName1="C24" atomName2="H24A" />
-      <Bond atomName1="C24" atomName2="H24B" />
-      <Bond atomName1="C24" atomName2="C23" />
-      <Bond atomName1="C23" atomName2="H23A" />
-      <Bond atomName1="C23" atomName2="H23B" />
-      <Bond atomName1="N" atomName2="C1" />
-      <Bond atomName1="N" atomName2="C21" />
-      <Bond atomName1="N" atomName2="C22" />
-      <Bond atomName1="N" atomName2="C23" />
-      <Bond atomName1="C21" atomName2="H21A" />
-      <Bond atomName1="C21" atomName2="H21B" />
-      <Bond atomName1="C21" atomName2="H21C" />
-      <Bond atomName1="C22" atomName2="H22A" />
-      <Bond atomName1="C22" atomName2="H22B" />
-      <Bond atomName1="C22" atomName2="H22C" />
-      <Bond atomName1="C1" atomName2="H1A" />
-      <Bond atomName1="C1" atomName2="H1B" />
-      <Bond atomName1="C1" atomName2="C2" />
-      <Bond atomName1="C2" atomName2="H2A" />
-      <Bond atomName1="C2" atomName2="H2B" />
-      <Bond atomName1="C2" atomName2="C3" />
-      <Bond atomName1="C3" atomName2="H3A" />
-      <Bond atomName1="C3" atomName2="H3B" />
-      <Bond atomName1="C3" atomName2="C4" />
-      <Bond atomName1="C4" atomName2="H4A" />
-      <Bond atomName1="C4" atomName2="H4B" />
-      <Bond atomName1="C4" atomName2="C5" />
-      <Bond atomName1="C5" atomName2="H5A" />
-      <Bond atomName1="C5" atomName2="H5B" />
-      <Bond atomName1="C5" atomName2="C6" />
-      <Bond atomName1="C6" atomName2="H6A" />
-      <Bond atomName1="C6" atomName2="H6B" />
-      <Bond atomName1="C6" atomName2="C7" />
-      <Bond atomName1="C7" atomName2="H7A" />
-      <Bond atomName1="C7" atomName2="H7B" />
-      <Bond atomName1="C7" atomName2="C8" />
-      <Bond atomName1="C8" atomName2="H8A" />
-      <Bond atomName1="C8" atomName2="H8B" />
-      <Bond atomName1="C8" atomName2="C9" />
-      <Bond atomName1="C9" atomName2="H9A" />
-      <Bond atomName1="C9" atomName2="H9B" />
-      <Bond atomName1="C9" atomName2="C10" />
-      <Bond atomName1="C10" atomName2="H10A" />
-      <Bond atomName1="C10" atomName2="H10B" />
-      <Bond atomName1="C10" atomName2="C11" />
-      <Bond atomName1="C11" atomName2="H11A" />
-      <Bond atomName1="C11" atomName2="H11B" />
-      <Bond atomName1="C11" atomName2="C12" />
-      <Bond atomName1="C12" atomName2="H12A" />
-      <Bond atomName1="C12" atomName2="H12B" />
-      <Bond atomName1="C12" atomName2="H12C" />
-      <AllowPatch name="ACE_0" />
-      <AllowPatch name="OMEF_0" />
-    </Residue>
-    <Residue name="SB3-14">
-      <Atom charge="0.73" name="S" type="SB3-14-S" />
-      <Atom charge="-0.55" name="O1" type="SB3-14-O1" />
-      <Atom charge="-0.55" name="O2" type="SB3-14-O2" />
-      <Atom charge="-0.55" name="O3" type="SB3-14-O3" />
-      <Atom charge="-0.26" name="C25" type="SB3-14-C25" />
-      <Atom charge="0.09" name="H25A" type="SB3-14-H25A" />
-      <Atom charge="0.09" name="H25B" type="SB3-14-H25B" />
-      <Atom charge="-0.18" name="C24" type="SB3-14-C24" />
-      <Atom charge="0.09" name="H24A" type="SB3-14-H24A" />
-      <Atom charge="0.09" name="H24B" type="SB3-14-H24B" />
-      <Atom charge="-0.6" name="N" type="SB3-14-N" />
-      <Atom charge="-0.1" name="C1" type="SB3-14-C1" />
-      <Atom charge="-0.35" name="C21" type="SB3-14-C21" />
-      <Atom charge="-0.35" name="C22" type="SB3-14-C22" />
-      <Atom charge="-0.1" name="C23" type="SB3-14-C23" />
-      <Atom charge="0.25" name="H1A" type="SB3-14-H1A" />
-      <Atom charge="0.25" name="H1B" type="SB3-14-H1B" />
-      <Atom charge="0.25" name="H21A" type="SB3-14-H21A" />
-      <Atom charge="0.25" name="H21B" type="SB3-14-H21B" />
-      <Atom charge="0.25" name="H21C" type="SB3-14-H21C" />
-      <Atom charge="0.25" name="H22A" type="SB3-14-H22A" />
-      <Atom charge="0.25" name="H22B" type="SB3-14-H22B" />
-      <Atom charge="0.25" name="H22C" type="SB3-14-H22C" />
-      <Atom charge="0.25" name="H23A" type="SB3-14-H23A" />
-      <Atom charge="0.25" name="H23B" type="SB3-14-H23B" />
-      <Atom charge="-0.18" name="C2" type="SB3-14-C2" />
-      <Atom charge="0.09" name="H2A" type="SB3-14-H2A" />
-      <Atom charge="0.09" name="H2B" type="SB3-14-H2B" />
-      <Atom charge="-0.18" name="C3" type="SB3-14-C3" />
-      <Atom charge="0.09" name="H3A" type="SB3-14-H3A" />
-      <Atom charge="0.09" name="H3B" type="SB3-14-H3B" />
-      <Atom charge="-0.18" name="C4" type="SB3-14-C4" />
-      <Atom charge="0.09" name="H4A" type="SB3-14-H4A" />
-      <Atom charge="0.09" name="H4B" type="SB3-14-H4B" />
-      <Atom charge="-0.18" name="C5" type="SB3-14-C5" />
-      <Atom charge="0.09" name="H5A" type="SB3-14-H5A" />
-      <Atom charge="0.09" name="H5B" type="SB3-14-H5B" />
-      <Atom charge="-0.18" name="C6" type="SB3-14-C6" />
-      <Atom charge="0.09" name="H6A" type="SB3-14-H6A" />
-      <Atom charge="0.09" name="H6B" type="SB3-14-H6B" />
-      <Atom charge="-0.18" name="C7" type="SB3-14-C7" />
-      <Atom charge="0.09" name="H7A" type="SB3-14-H7A" />
-      <Atom charge="0.09" name="H7B" type="SB3-14-H7B" />
-      <Atom charge="-0.18" name="C8" type="SB3-14-C8" />
-      <Atom charge="0.09" name="H8A" type="SB3-14-H8A" />
-      <Atom charge="0.09" name="H8B" type="SB3-14-H8B" />
-      <Atom charge="-0.18" name="C9" type="SB3-14-C9" />
-      <Atom charge="0.09" name="H9A" type="SB3-14-H9A" />
-      <Atom charge="0.09" name="H9B" type="SB3-14-H9B" />
-      <Atom charge="-0.18" name="C10" type="SB3-14-C10" />
-      <Atom charge="0.09" name="H10A" type="SB3-14-H10A" />
-      <Atom charge="0.09" name="H10B" type="SB3-14-H10B" />
-      <Atom charge="-0.18" name="C11" type="SB3-14-C11" />
-      <Atom charge="0.09" name="H11A" type="SB3-14-H11A" />
-      <Atom charge="0.09" name="H11B" type="SB3-14-H11B" />
-      <Atom charge="-0.18" name="C12" type="SB3-14-C12" />
-      <Atom charge="0.09" name="H12A" type="SB3-14-H12A" />
-      <Atom charge="0.09" name="H12B" type="SB3-14-H12B" />
-      <Atom charge="-0.18" name="C13" type="SB3-14-C13" />
-      <Atom charge="0.09" name="H13A" type="SB3-14-H13A" />
-      <Atom charge="0.09" name="H13B" type="SB3-14-H13B" />
-      <Atom charge="-0.27" name="C14" type="SB3-14-C14" />
-      <Atom charge="0.09" name="H14A" type="SB3-14-H14A" />
-      <Atom charge="0.09" name="H14B" type="SB3-14-H14B" />
-      <Atom charge="0.09" name="H14C" type="SB3-14-H14C" />
-      <Bond atomName1="S" atomName2="O1" />
-      <Bond atomName1="S" atomName2="O2" />
-      <Bond atomName1="S" atomName2="O3" />
-      <Bond atomName1="S" atomName2="C25" />
-      <Bond atomName1="C25" atomName2="H25A" />
-      <Bond atomName1="C25" atomName2="H25B" />
-      <Bond atomName1="C25" atomName2="C24" />
-      <Bond atomName1="C24" atomName2="H24A" />
-      <Bond atomName1="C24" atomName2="H24B" />
-      <Bond atomName1="C24" atomName2="C23" />
-      <Bond atomName1="C23" atomName2="H23A" />
-      <Bond atomName1="C23" atomName2="H23B" />
-      <Bond atomName1="N" atomName2="C1" />
-      <Bond atomName1="N" atomName2="C21" />
-      <Bond atomName1="N" atomName2="C22" />
-      <Bond atomName1="N" atomName2="C23" />
-      <Bond atomName1="C21" atomName2="H21A" />
-      <Bond atomName1="C21" atomName2="H21B" />
-      <Bond atomName1="C21" atomName2="H21C" />
-      <Bond atomName1="C22" atomName2="H22A" />
-      <Bond atomName1="C22" atomName2="H22B" />
-      <Bond atomName1="C22" atomName2="H22C" />
-      <Bond atomName1="C1" atomName2="H1A" />
-      <Bond atomName1="C1" atomName2="H1B" />
-      <Bond atomName1="C1" atomName2="C2" />
-      <Bond atomName1="C2" atomName2="H2A" />
-      <Bond atomName1="C2" atomName2="H2B" />
-      <Bond atomName1="C2" atomName2="C3" />
-      <Bond atomName1="C3" atomName2="H3A" />
-      <Bond atomName1="C3" atomName2="H3B" />
-      <Bond atomName1="C3" atomName2="C4" />
-      <Bond atomName1="C4" atomName2="H4A" />
-      <Bond atomName1="C4" atomName2="H4B" />
-      <Bond atomName1="C4" atomName2="C5" />
-      <Bond atomName1="C5" atomName2="H5A" />
-      <Bond atomName1="C5" atomName2="H5B" />
-      <Bond atomName1="C5" atomName2="C6" />
-      <Bond atomName1="C6" atomName2="H6A" />
-      <Bond atomName1="C6" atomName2="H6B" />
-      <Bond atomName1="C6" atomName2="C7" />
-      <Bond atomName1="C7" atomName2="H7A" />
-      <Bond atomName1="C7" atomName2="H7B" />
-      <Bond atomName1="C7" atomName2="C8" />
-      <Bond atomName1="C8" atomName2="H8A" />
-      <Bond atomName1="C8" atomName2="H8B" />
-      <Bond atomName1="C8" atomName2="C9" />
-      <Bond atomName1="C9" atomName2="H9A" />
-      <Bond atomName1="C9" atomName2="H9B" />
-      <Bond atomName1="C9" atomName2="C10" />
-      <Bond atomName1="C10" atomName2="H10A" />
-      <Bond atomName1="C10" atomName2="H10B" />
-      <Bond atomName1="C10" atomName2="C11" />
-      <Bond atomName1="C11" atomName2="H11A" />
-      <Bond atomName1="C11" atomName2="H11B" />
-      <Bond atomName1="C11" atomName2="C12" />
-      <Bond atomName1="C12" atomName2="H12A" />
-      <Bond atomName1="C12" atomName2="H12B" />
-      <Bond atomName1="C12" atomName2="C13" />
-      <Bond atomName1="C13" atomName2="H13A" />
-      <Bond atomName1="C13" atomName2="H13B" />
-      <Bond atomName1="C13" atomName2="C14" />
-      <Bond atomName1="C14" atomName2="H14A" />
-      <Bond atomName1="C14" atomName2="H14B" />
-      <Bond atomName1="C14" atomName2="H14C" />
-      <AllowPatch name="ACE_0" />
-      <AllowPatch name="OMEF_0" />
-    </Residue>
     <Residue name="LAPAO">
       <Atom charge="-0.83" name="N" type="LAPAO-N" />
       <Atom charge="-0.35" name="C13" type="LAPAO-C13" />
@@ -255578,15 +255038,4231 @@
 import math
 import openmm
 
-residue_impropers = {'ALA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))), 'ARG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))), 'ASN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'ND2'), (0, 'CB'), (0, 'OD1')), ((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'CG'), (0, 'HD21'), (0, 'HD22')), ((0, 'ND2'), (0, 'CG'), (0, 'HD22'), (0, 'HD21'))), 'ASP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1'))), 'CYS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))), 'GLN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'NE2'), (0, 'CG'), (0, 'OE1')), ((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'CD'), (0, 'HE21'), (0, 'HE22')), ((0, 'NE2'), (0, 'CD'), (0, 'HE22'), (0, 'HE21'))), 'GLU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'CG'), (0, 'OE2'), (0, 'OE1'))), 'GLY': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))), 'HSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))), 'HSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 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-delete_impropers = {'AMGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'GMGA': (((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3')),), 'DMGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))), 'AMGT': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))), 'ATGM': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))), 'ABGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'GBGA': (((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3')),), 'DBGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))), 'ALME': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'G4MPAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'G4PAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'G3PABR': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'G3PABS': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'BPAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'BPAT': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3MSB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '2MRB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '2APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '4APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '2AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '4AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '4FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '2FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3MRB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '2MSB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3A2MPP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '4A2MPP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), '3XBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),), 'DFTO': (((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M')), ((0, 'C4'), (0, 'C3'), (0, 'C5'), (0, 'F4')), ((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'F2'))), 'ENOU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),), 'UENO': (((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')),), '5UHG': (((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9')),), '5UHA': (((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12')),), 'CYTP': (((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4'))), '3MCN': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')),), 'ADEP': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))), 'ADEI': (((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6')),), '1MAN': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),), '6AH': (((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')),), 'GENO': (((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))), '7MGE': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),), 'BUGN': (((0, 'C17'), (0, 'O17'), (0, 'O18'), (0, 'C15')),)}
+residue_impropers = {
+    'ALA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ARG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'ASN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'ND2'), (0, 'CB'), (0, 'OD1')), ((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'CG'), (0, 'HD21'), (0, 'HD22')), ((0, 'ND2'), (0, 'CG'), (0, 'HD22'), (0, 'HD21'))),
+    'ASP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1'))),
+    'CYS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'GLN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'NE2'), (0, 'CG'), (0, 'OE1')), ((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'CD'), (0, 'HE21'), (0, 'HE22')), ((0, 'NE2'), (0, 'CD'), (0, 'HE22'), (0, 'HE21'))),
+    'GLU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'CG'), (0, 'OE2'), (0, 'OE1'))),
+    'GLY': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HSP': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ILE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LEU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LYS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MET': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'PHE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'PRO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'SER': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'THR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TRP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TYR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'VAL': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ALAD': (((0, 'CLP'), (0, 'CL'), (0, 'NL'), (0, 'OL')), ((0, 'NL'), (0, 'CLP'), (0, 'CA'), (0, 'HL')), ((0, 'CRP'), (0, 'CA'), (0, 'NR'), (0, 'OR')), ((0, 'NR'), (0, 'CRP'), (0, 'CR'), (0, 'HR'))),
+    'CYM': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'GUA': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    'ADE': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'CYT': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'THY': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    'URA': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4'))),
+    'AGLCA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BGLCA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BGLCA0': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AIDOA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BIDOA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AGLCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGLCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGLCN0': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AGALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ANE5AC': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN')), ((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11'))),
+    'BNE5AC': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN')), ((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11'))),
+    'ALLOSE': (((0, 'C1'), (0, 'C2'), (0, 'O1'), (0, 'H1')),),
+    'PSICOS': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O2')),),
+    'LPPC': (((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')),),
+    'DLPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DLPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DMPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DPPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DSPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DSPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DSPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DSPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DSPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DOPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'POPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SDPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DAPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'ACET': (((0, 'C2'), (0, 'O2'), (0, 'O1'), (0, 'C1')),),
+    'PROA': (((0, 'C1'), (0, 'O2'), (0, 'O1'), (0, 'C2')),),
+    'GUAN': (((0, 'C'), (0, 'N2'), (0, 'N3'), (0, 'N1')),),
+    'MGUA': (((0, 'C'), (0, 'N2'), (0, 'N3'), (0, 'N1')),),
+    'GLYN': (((0, 'C'), (0, 'CA'), (0, 'OT1'), (0, 'OT2')),),
+    'ACEH': (((0, 'C1'), (0, 'C2'), (0, 'O2'), (0, 'O1')),),
+    'FORM': (((0, 'C'), (0, 'N'), (0, 'O'), (0, 'HA')),),
+    'ACEM': (((0, 'C'), (0, 'CC'), (0, 'N'), (0, 'O')),),
+    'PRAM': (((0, 'C'), (0, 'CC'), (0, 'N'), (0, 'O')),),
+    'NMA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')),),
+    'AANM': (((0, 'CLP'), (0, 'CL'), (0, 'NL'), (0, 'OL')), ((0, 'CRP'), (0, 'CA'), (0, 'NR'), (0, 'OR'))),
+    'APNH': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O'))),
+    'PDIP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O'))),
+    'PNH2': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')),),
+    'CO3': (((0, 'C1'), (0, 'O1'), (0, 'O2'), (0, 'O3')),),
+    'AALD': (((0, 'CB'), (0, 'C'), (0, 'O'), (0, 'HA')),),
+    'PALD': (((0, 'CB'), (0, 'C'), (0, 'O'), (0, 'HA')),),
+    'CALD': (((0, 'CB'), (0, 'C'), (0, 'O'), (0, 'HA')),),
+    'BALD': (((0, 'CG'), (0, 'C'), (0, 'O'), (0, 'HA')),),
+    '4AP2': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'NG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'HG11'), (0, 'CG'), (0, 'HG12'), (0, 'NG'))),
+    '3APY': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'CD1')), ((0, 'HD11'), (0, 'CD1'), (0, 'HD12'), (0, 'ND1'))),
+    '34AP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'CD1')), ((0, 'HD11'), (0, 'CD1'), (0, 'HD12'), (0, 'ND1')), ((0, 'NG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'HG11'), (0, 'CG'), (0, 'HG12'), (0, 'NG'))),
+    '3CPY': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG'))),
+    '3FLP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'F1'), (0, 'CE1'), (0, 'CG'), (0, 'CD1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG'))),
+    '3ALP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CD3'), (0, 'O1'), (0, 'H3'))),
+    '3HOP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG'))),
+    '3MEP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD3'))),
+    '3ETP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD3'))),
+    '3BPY': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD3'))),
+    '3CYP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'C3N'))),
+    '3ACP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'C')), ((0, 'C'), (0, 'CD1'), (0, 'CH3'), (0, 'O'))),
+    '3NAP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'C')), ((0, 'C'), (0, 'CD1'), (0, 'N'), (0, 'O'))),
+    '3CAP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD3'))),
+    '3PHP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'CA1'))),
+    '3BNP': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'CD1'), (0, 'CE1'), (0, 'CG'), (0, 'C'))),
+    'MAS': (((0, 'C'), (0, 'C1'), (0, 'O'), (0, 'OM')),),
+    'ETAC': (((0, 'C'), (0, 'C1'), (0, 'O'), (0, 'OM')),),
+    'MPRO': (((0, 'C'), (0, 'C1'), (0, 'O'), (0, 'OM')),),
+    'ACHO': (((0, 'C'), (0, 'C7'), (0, 'O'), (0, 'OM')),),
+    'GLYC': (((0, 'C5'), (0, 'C7'), (0, 'O6'), (0, 'O4')), ((0, 'C9'), (0, 'C11'), (0, 'O10'), (0, 'O8'))),
+    'AAPM': (((0, 'C5'), (0, 'C7'), (0, 'O6'), (0, 'O4')), ((0, 'C9'), (0, 'C11'), (0, 'O10'), (0, 'O8'))),
+    'MBUT': (((0, 'C1'), (0, 'C2'), (0, 'O1'), (0, 'OM')),),
+    'CSAD': (((0, 'H62'), (0, 'C6'), (0, 'H61'), (0, 'N6')), ((0, 'N6'), (0, 'N1'), (0, 'C5'), (0, 'C6'))),
+    'CSGU': (((0, 'N2'), (0, 'N3'), (0, 'N1'), (0, 'C2')), ((0, 'O6'), (0, 'N1'), (0, 'C5'), (0, 'C6')), ((0, 'H22'), (0, 'H21'), (0, 'C2'), (0, 'N2'))),
+    'CSTH': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'O4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'C5M'), (0, 'C4'), (0, 'C6'), (0, 'C5'))),
+    'CSCY': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'N4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'H42'), (0, 'C4'), (0, 'H41'), (0, 'N4'))),
+    'CNAD': (((0, 'H62'), (0, 'C6'), (0, 'H61'), (0, 'N6')), ((0, 'N6'), (0, 'N1'), (0, 'C5'), (0, 'C6'))),
+    'CNGU': (((0, 'N2'), (0, 'N3'), (0, 'N1'), (0, 'C2')), ((0, 'O6'), (0, 'N1'), (0, 'C5'), (0, 'C6')), ((0, 'H22'), (0, 'H21'), (0, 'C2'), (0, 'N2'))),
+    'CNTH': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'O4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'C5M'), (0, 'C4'), (0, 'C6'), (0, 'C5'))),
+    'CNT1': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'O4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'C5M'), (0, 'C4'), (0, 'C6'), (0, 'C5'))),
+    'CNT2': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'O4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'C5M'), (0, 'C4'), (0, 'C6'), (0, 'C5'))),
+    'CNT3': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'O4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'C5M'), (0, 'C4'), (0, 'C6'), (0, 'C5'))),
+    'CNCY': (((0, 'O2'), (0, 'N1'), (0, 'N3'), (0, 'C2')), ((0, 'N4'), (0, 'N3'), (0, 'C5'), (0, 'C4')), ((0, 'H42'), (0, 'C4'), (0, 'H41'), (0, 'N4'))),
+    'THFI': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, "C1'")), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, "C1'")), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    'THMI': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, "C1'")), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, "C1'")), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    'TADE': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'TCYT': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'N4'), (0, 'H42'), (0, 'H41'), (0, 'C4'))),
+    'TGUA': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'TTHY': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'TURA': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'THAO': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, "C1'")), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, "C1'")), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    'NUSA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'NUSG': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'NUSC': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'N4'), (0, 'H42'), (0, 'H41'), (0, 'C4'))),
+    'NUST': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'NUSU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'RNUS': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, "C1'")), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, "C1'")), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    'RNUA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'RNUG': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'RNUC': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'N4'), (0, 'H42'), (0, 'H41'), (0, 'C4'))),
+    'NUCL': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, "C1'")), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, "C1'")), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    'NADE': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'NTHY': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'NIC': (((0, 'C12'), (0, 'N14'), (0, 'C9'), (0, 'O13')), ((0, 'C12'), (0, 'C9'), (0, 'N14'), (0, 'O13')), ((0, 'N14'), (0, 'C12'), (0, 'H16'), (0, 'H15')), ((0, 'N14'), (0, 'C12'), (0, 'H15'), (0, 'H16')), ((0, 'N2'), (0, 'C10'), (0, 'C3'), (0, 'H1')), ((0, 'C3'), (0, 'N2'), (0, 'C5'), (0, 'H4')), ((0, 'C5'), (0, 'C3'), (0, 'C7'), (0, 'H6')), ((0, 'C7'), (0, 'C5'), (0, 'C9'), (0, 'H8')), ((0, 'C10'), (0, 'C9'), (0, 'N2'), (0, 'H11'))),
+    'NICH': (((0, 'C12'), (0, 'N14'), (0, 'C9'), (0, 'O13')), ((0, 'C12'), (0, 'C9'), (0, 'N14'), (0, 'O13')), ((0, 'N14'), (0, 'C12'), (0, 'H16'), (0, 'H15')), ((0, 'N14'), (0, 'C12'), (0, 'H15'), (0, 'H16')), ((0, 'N2'), (0, 'C10'), (0, 'C3'), (0, 'H1')), ((0, 'C3'), (0, 'N2'), (0, 'C5'), (0, 'H4')), ((0, 'C5'), (0, 'C3'), (0, 'C7'), (0, 'H6')), ((0, 'C10'), (0, 'C9'), (0, 'N2'), (0, 'H11'))),
+    'AMP': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'ADP': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'ATP': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'NAD': (((0, 'N6A'), (0, 'C6A'), (0, 'H61A'), (0, 'H62A')), ((0, 'C6A'), (0, 'N1A'), (0, 'C5A'), (0, 'N6A')), ((0, 'C7N'), (0, 'N7N'), (0, 'C3N'), (0, 'O7N')), ((0, 'C7N'), (0, 'C3N'), (0, 'N7N'), (0, 'O7N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H71N'), (0, 'H72N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H72N'), (0, 'H71N')), ((0, 'C6N'), (0, 'N1N'), (0, 'C5N'), (0, 'HN6')), ((0, 'C5N'), (0, 'C6N'), (0, 'C4N'), (0, 'H5N')), ((0, 'C4N'), (0, 'C5N'), (0, 'C3N'), (0, 'H41N')), ((0, 'C2N'), (0, 'C3N'), (0, 'N1N'), (0, 'H2N'))),
+    'NADH': (((0, 'AN6'), (0, 'AC6'), (0, 'AH61'), (0, 'AH62')), ((0, 'AC6'), (0, 'AN1'), (0, 'AC5'), (0, 'AN6')), ((0, 'NC7'), (0, 'NN7'), (0, 'NC3'), (0, 'NO7')), ((0, 'NC7'), (0, 'NC3'), (0, 'NN7'), (0, 'NO7')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH71'), (0, 'NH72')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH72'), (0, 'NH71')), ((0, 'NC6'), (0, 'NN1'), (0, 'NC5'), (0, 'NH6')), ((0, 'NC5'), (0, 'NC6'), (0, 'NC4'), (0, 'NH5')), ((0, 'NC4'), (0, 'NC5'), (0, 'NC3'), (0, 'NH4')), ((0, 'NC2'), (0, 'NC3'), (0, 'NN1'), (0, 'NH2'))),
+    'NADP': (((0, 'AN6'), (0, 'AC6'), (0, 'AH61'), (0, 'AH62')), ((0, 'AC6'), (0, 'AN1'), (0, 'AC5'), (0, 'AN6')), ((0, 'NC7'), (0, 'NN7'), (0, 'NC3'), (0, 'NO7')), ((0, 'NC7'), (0, 'NC3'), (0, 'NN7'), (0, 'NO7')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH71'), (0, 'NH72')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH72'), (0, 'NH71')), ((0, 'NC6'), (0, 'NN1'), (0, 'NC5'), (0, 'NH6')), ((0, 'NC5'), (0, 'NC6'), (0, 'NC4'), (0, 'NH5')), ((0, 'NC4'), (0, 'NC5'), (0, 'NC3'), (0, 'NH4')), ((0, 'NC2'), (0, 'NC3'), (0, 'NN1'), (0, 'NH2'))),
+    'NDPH': (((0, 'AN6'), (0, 'AC6'), (0, 'AH61'), (0, 'AH62')), ((0, 'AC6'), (0, 'AN1'), (0, 'AC5'), (0, 'AN6')), ((0, 'NC7'), (0, 'NN7'), (0, 'NC3'), (0, 'NO7')), ((0, 'NC7'), (0, 'NC3'), (0, 'NN7'), (0, 'NO7')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH71'), (0, 'NH72')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH72'), (0, 'NH71')), ((0, 'NC6'), (0, 'NN1'), (0, 'NC5'), (0, 'NH6')), ((0, 'NC5'), (0, 'NC6'), (0, 'NC4'), (0, 'NH5')), ((0, 'NC4'), (0, 'NC5'), (0, 'NC3'), (0, 'NH4')), ((0, 'NC2'), (0, 'NC3'), (0, 'NN1'), (0, 'NH2'))),
+    'MAM1': (((0, 'N1'), (0, 'HN2'), (0, 'HN1'), (0, 'C1')),),
+    'SAH': (((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA'))),
+    'BF6': (((0, 'C1'), (0, 'CZ1'), (0, 'C2'), (0, 'O1')), ((0, 'C3'), (0, 'CZ2'), (0, 'C4'), (0, 'O3'))),
+    'BF7': (((0, 'C1'), (0, 'C2'), (0, 'CZ1'), (0, 'O1')), ((0, 'C2'), (0, 'O2B'), (0, 'O2A'), (0, 'C1')), ((0, 'C3'), (0, 'C4'), (0, 'CZ2'), (0, 'O3')), ((0, 'C4'), (0, 'O4B'), (0, 'O4A'), (0, 'C3'))),
+    'BCA': (((0, 'C1'), (0, 'O1B'), (0, 'O1A'), (0, 'CZ1')), ((0, 'C2'), (0, 'O2B'), (0, 'O2A'), (0, 'CZ2'))),
+    'C36': (((0, 'C1'), (0, 'CZ1'), (0, 'C2'), (0, 'O1')), ((0, 'C3'), (0, 'CZ2'), (0, 'C4'), (0, 'O3'))),
+    'C37': (((0, 'C1'), (0, 'C2'), (0, 'CZ1'), (0, 'O1')), ((0, 'C2'), (0, 'O2B'), (0, 'O2A'), (0, 'C1')), ((0, 'C3'), (0, 'C4'), (0, 'CZ2'), (0, 'O3')), ((0, 'C4'), (0, 'O4B'), (0, 'O4A'), (0, 'C3'))),
+    'C3C': (((0, 'C1'), (0, 'O1B'), (0, 'O1A'), (0, 'CZ1')), ((0, 'C2'), (0, 'O2B'), (0, 'O2A'), (0, 'CZ2'))),
+    'PRAL': (((0, 'CG'), (0, 'C2'), (0, 'OD1'), (0, 'H')),),
+    'UREA': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')),),
+    'MGU1': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'N3')), ((0, 'N1'), (0, 'H11'), (0, 'H12'), (0, 'C')), ((0, 'N2'), (0, 'H21'), (0, 'H22'), (0, 'C'))),
+    'MGU2': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'N3')), ((0, 'N3'), (0, 'C4'), (0, 'C'), (0, 'H31')), ((0, 'N2'), (0, 'H21'), (0, 'H22'), (0, 'C'))),
+    'HDZ1': (((0, 'C2'), (0, 'C1'), (0, 'N3'), (0, 'O2')), ((0, 'C5'), (0, 'C6'), (0, 'N4'), (0, 'H5'))),
+    'HDZ2': (((0, 'C2'), (0, 'CZ2'), (0, 'N3'), (0, 'O2')), ((0, 'C5'), (0, 'CPG'), (0, 'N4'), (0, 'H5'))),
+    'CA': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'C23')),),
+    'DCA': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'C23')),),
+    'LCA': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'C23')),),
+    'CDCA': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'C23')),),
+    'UDCA': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'C23')),),
+    'GA': (((0, 'C24'), (0, 'C23'), (0, 'N'), (0, 'O24')), ((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))),
+    'BAB1': (((0, 'C24'), (0, 'C23'), (0, 'N'), (0, 'O24')), ((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'CC3'), (0, 'NT'), (0, 'OG'))),
+    'FBIB': (((0, 'CD'), (0, 'OD2'), (0, 'OD1'), (0, 'CA')),),
+    '2PDO': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')),),
+    'ACO': (((0, 'C1'), (0, 'C2'), (0, 'C3'), (0, 'O1')),),
+    'IPAA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')),),
+    'AMOP': (((0, 'C2'), (0, 'O2'), (0, 'O1'), (0, 'C1')),),
+    '2MPA': (((0, 'CG'), (0, 'CM'), (0, 'NT'), (0, 'OG')),),
+    '2AMP': (((0, 'C'), (0, 'CM'), (0, 'NE'), (0, 'O')), ((0, 'CE1'), (0, 'CD1'), (0, 'NZ'), (0, 'NE'))),
+    '3AMP': (((0, 'C'), (0, 'CM'), (0, 'ND'), (0, 'O')),),
+    '2AMF': (((0, 'C'), (0, 'CM'), (0, 'N'), (0, 'O')),),
+    'GABD': (((0, 'C24'), (0, 'C23'), (0, 'N'), (0, 'O24')), ((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    'AMOL': (((0, 'C2'), (0, 'O2'), (0, 'O1'), (0, 'C1')),),
+    '9MAD': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    '1MTH': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'FORA': (((0, 'C1'), (0, 'O2'), (0, 'O3'), (0, 'H4')),),
+    'BTON': (((0, 'C1'), (0, 'C3'), (0, 'C2'), (0, 'O1')),),
+    'CHON': (((0, 'C1'), (0, 'C2'), (0, 'C6'), (0, 'O1')),),
+    'DMTT': (((0, 'C'), (0, 'S1'), (0, 'S2'), (0, 'S')),),
+    'DMCB': (((0, 'C3'), (0, 'N2'), (0, 'O31'), (0, 'O32')),),
+    'DECB': (((0, 'C4'), (0, 'N3'), (0, 'O41'), (0, 'O42')),),
+    'FORH': (((0, 'C'), (0, 'O2'), (0, 'O1'), (0, 'H')),),
+    'DMA': (((0, 'C'), (0, 'C1'), (0, 'N'), (0, 'O')),),
+    'DMF': (((0, 'C'), (0, 'N'), (0, 'O'), (0, 'HA')),),
+    'MRDN': (((0, 'C2'), (0, 'N3'), (0, 'S2'), (0, 'S1')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'MEOI': (((0, 'C7'), (0, 'C6'), (0, 'N8'), (0, 'O7')),),
+    'OIRD': (((0, 'C2'), (0, 'N3'), (0, 'S2'), (0, 'S1')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C7'), (0, 'C6'), (0, 'N8'), (0, 'O7'))),
+    'BAB2': (((0, 'C24'), (0, 'C23'), (0, 'N'), (0, 'O24')), ((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'CC3'), (0, 'NT'), (0, 'OG'))),
+    'DMCA': (((0, 'C'), (0, 'O1'), (0, 'O2'), (0, 'O')),),
+    'DECA': (((0, 'C'), (0, 'O1'), (0, 'O2'), (0, 'O')),),
+    'URAC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '2PYO': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')),),
+    'HDZ1B': (((0, 'C2'), (0, 'C1'), (0, 'N3'), (0, 'O2')), ((0, 'C5'), (0, 'C6G'), (0, 'N4'), (0, 'H5'))),
+    'PHMK': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'O2')),),
+    'PHEK': (((0, 'C3'), (0, 'C4'), (0, 'C2'), (0, 'O3')),),
+    'BEON': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'O2')),),
+    'AMDN': (((0, 'C1'), (0, 'N9'), (0, 'N6'), (0, 'C2')),),
+    'BAMI': (((0, 'C12'), (0, 'N16'), (0, 'N13'), (0, 'C11')),),
+    'PNTM': (((0, 'C24'), (0, 'N28'), (0, 'N25'), (0, 'C23')), ((0, 'C45'), (0, 'N49'), (0, 'N46'), (0, 'C44'))),
+    'MHYO': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'OIHY': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C7'), (0, 'C6'), (0, 'N8'), (0, 'O7'))),
+    'MOET': (((0, 'C2'), (0, 'C1'), (0, 'O3'), (0, 'H21')),),
+    'MOBU': (((0, 'C1'), (0, 'C2'), (0, 'O1'), (0, 'H11')),),
+    'MTDO': (((0, 'C2'), (0, 'N3'), (0, 'O2'), (0, 'S1')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'AMET': (((0, 'C4'), (0, 'C1'), (0, 'N6'), (0, 'H5')),),
+    'NIME': (((0, 'N2'), (0, 'O21'), (0, 'O22'), (0, 'C1')),),
+    'NIPR': (((0, 'N1'), (0, 'O11'), (0, 'O12'), (0, 'C1')),),
+    'AZDO': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')),),
+    'ZOIC': (((0, 'C7'), (0, 'C1'), (0, 'O7'), (0, 'O8')),),
+    'MBOA': (((0, 'C7'), (0, 'C1'), (0, 'O7'), (0, 'O8')),),
+    'YTHY': (((0, 'C8'), (0, 'C5'), (0, 'N9'), (0, 'O8')), ((0, 'C10'), (0, 'N9'), (0, 'N11'), (0, 'O10'))),
+    'RIN': (((0, 'C2'), (0, 'C3'), (0, 'O2'), (0, 'O1')),),
+    'YTS2': (((0, 'C8'), (0, 'C5'), (0, 'N9'), (0, 'S8')), ((0, 'C10'), (0, 'N9'), (0, 'N11'), (0, 'S10'))),
+    'YT4S': (((0, 'C8'), (0, 'C5'), (0, 'N9'), (0, 'O8')), ((0, 'C10'), (0, 'N11'), (0, 'N9'), (0, 'S10'))),
+    'YT2S': (((0, 'C8'), (0, 'C5'), (0, 'N9'), (0, 'S8')), ((0, 'C10'), (0, 'N9'), (0, 'N11'), (0, 'O10'))),
+    'TC243C': (((0, 'C8'), (0, 'C5'), (0, 'N9'), (0, 'O8')),),
+    '4PYO': (((0, 'C1'), (0, 'C21'), (0, 'C22'), (0, 'O1')),),
+    '1PH4PO': (((0, 'C4'), (0, 'C3'), (0, 'C5'), (0, 'O4')),),
+    '21QU': (((0, 'C10'), (0, 'C9'), (0, 'N11'), (0, 'O10')),),
+    '1PH2PO': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')),),
+    '3PHURA': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')), ((0, 'C6'), (0, 'N5'), (0, 'N1'), (0, 'O6'))),
+    'URA2S': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '3PH2SR': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')), ((0, 'C6'), (0, 'N5'), (0, 'N1'), (0, 'S6'))),
+    'URA4S': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'S4'))),
+    '3PH4SR': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'S2')), ((0, 'C6'), (0, 'N5'), (0, 'N1'), (0, 'O6'))),
+    'URA24S': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'S4'))),
+    '3PH24S': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'S2')), ((0, 'C6'), (0, 'N5'), (0, 'N1'), (0, 'S6'))),
+    '43HPY': (((0, 'C1'), (0, 'C6'), (0, 'N2'), (0, 'O1')),),
+    '43PPY': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'O2')),),
+    '43HSPY': (((0, 'C1'), (0, 'C6'), (0, 'N2'), (0, 'S1')),),
+    '43HSPP': (((0, 'C2'), (0, 'C3'), (0, 'N1'), (0, 'S2')),),
+    '4O2SM': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),),
+    'NZAD': (((0, 'C9'), (0, 'C10'), (0, 'N8'), (0, 'O9')),),
+    'NACT': (((0, 'C'), (0, 'C3'), (0, 'N'), (0, 'O')),),
+    'CO31': (((0, 'C'), (0, 'O1'), (0, 'O2'), (0, 'O3')),),
+    'GBL': (((0, 'C2'), (0, 'C3'), (0, 'O2'), (0, 'O1')),),
+    'B2FO': (((0, 'C2'), (0, 'C3'), (0, 'O6'), (0, 'O1')),),
+    'A2FO': (((0, 'C2'), (0, 'C3'), (0, 'O6'), (0, 'O1')),),
+    'MT2A': (((0, 'C3'), (0, 'N5'), (0, 'N4'), (0, 'S2')),),
+    'DH3T': (((0, 'C2'), (0, 'N4'), (0, 'N3'), (0, 'S1')),),
+    'EEPI': (((0, 'C5'), (0, 'C6'), (0, 'N4'), (0, 'H51')),),
+    'PYO2B': (((0, 'C1'), (0, 'C2'), (0, 'N6'), (0, 'O7')),),
+    'PYO3B': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O7')),),
+    'PYO2F': (((0, 'C1'), (0, 'C2'), (0, 'N6'), (0, 'O7')),),
+    'PYO3F': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O7')),),
+    'BTMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4'))),
+    'BM6A': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'CBHH': (((0, 'C7'), (0, 'N3'), (0, 'N4'), (0, 'O9')), ((0, 'C8'), (0, 'N5'), (0, 'N6'), (0, 'O10'))),
+    'WEI1': (((0, 'C13'), (0, 'C6'), (0, 'N4'), (0, 'O3')),),
+    'WEI2': (((0, 'C14'), (0, 'N2'), (0, 'N3'), (0, 'O3')),),
+    'MSCH': (((0, 'C8'), (0, 'C9'), (0, 'N'), (0, 'O')),),
+    'WEI3': (((0, 'C8'), (0, 'C9'), (0, 'N1'), (0, 'O1')),),
+    'INCA': (((0, 'C9'), (0, 'C8'), (0, 'N3'), (0, 'O')),),
+    'TICA': (((0, 'C9'), (0, 'N1'), (0, 'N2'), (0, 'O')),),
+    'GTPG': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'GTGN': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'GTSS': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    'GTNS': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6'))),
+    '2OXT': (((0, 'C2'), (0, 'C3'), (0, 'O2'), (0, 'O1')),),
+    '3OXT': (((0, 'C3'), (0, 'C1'), (0, 'C2'), (0, 'O2')), ((0, 'C3'), (0, 'C2'), (0, 'C1'), (0, 'O2'))),
+    'PRF': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'N2'), (0, 'H10'), (0, 'H9'), (0, 'C2'))),
+    'B2SU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B4SU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'S4'))),
+    'B52U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BH2U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BMDU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B5HU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BMOU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B3MU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BCYU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BPSU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B1MP': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2'))),
+    'B3MP': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2'))),
+    'BSAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B5AU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BU8U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BSEU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'SE2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B5DU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'BSCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'BIAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BISU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B5CU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7'))),
+    'BOCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9'))),
+    'B70U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C5M'), (0, 'O8'), (0, 'O9'))),
+    'BBCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'N8'), (0, 'O8'))),
+    'BHCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7'))),
+    'BCMU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9'))),
+    'BOAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C9'), (0, 'O92'), (0, 'O91'), (0, 'C8'))),
+    'BOEU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C9'), (0, 'C8'), (0, 'O9'), (0, 'O10'))),
+    'B3AU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12'))),
+    'B13P': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C13'), (0, 'O31'), (0, 'O30'), (0, 'C12'))),
+    'B5TU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BSTU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'BGAU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),),
+    'BGCU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'B2SC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'B5MC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'BHMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'B5FC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4')), ((0, 'C7'), (0, 'C5'), (0, 'O7'), (0, 'H7'))),
+    'B4MC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4'))),
+    'B4AC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C7'), (0, 'C8'), (0, 'N4'), (0, 'O7'))),
+    'B3MC': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'N4'), (0, 'C5')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'B1PC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B3PC': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'B6MA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'B2MA': (((0, 'N6'), (0, 'H61'), (0, 'H62'), (0, 'C6')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B8MA': (((0, 'N6'), (0, 'H61'), (0, 'H62'), (0, 'C6')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'BINO': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'B1MI': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BSMA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'B6AA': (((0, 'C10'), (0, 'C11'), (0, 'N6'), (0, 'O10')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B1MA': (((0, 'C6'), (0, 'N1'), (0, 'N6'), (0, 'C5')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'B6IA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'BHIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'BMIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'BSIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'BHNA': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B26A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B66A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'BT6A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B12A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B6GA': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'B1MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'B2MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'B7MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'B27G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'BDCG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'BRCG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C10'), (0, 'N12'), (0, 'N11'), (0, 'C7'))),
+    'BDAG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'BQUG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'BEQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'BDWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BIMG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BIWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BMWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BYYG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C16'), (0, 'C15'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'BHWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C16'), (0, 'C15'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'BPBG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C17'), (0, 'C16'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'BBUG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C17'), (0, 'O17'), (0, 'O18'), (0, 'C15'))),
+    '7MIP': (((0, 'C10'), (0, 'N12'), (0, 'N11'), (0, 'C7')),),
+    'M6PA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')), ((0, 'C10'), (0, 'C11'), (0, 'N6'), (0, 'O10'))),
+    'MOAC': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    '5FOP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C7'), (0, 'C5'), (0, 'O7'), (0, 'H7'))),
+    'PESU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),),
+    'CMBZ': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    'PRNC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3'))),
+    'BZHA': (((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7')),),
+    'MOAT': (((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7')),),
+    'MOAE': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    'MPYU': (((0, 'C7'), (0, 'N8'), (0, 'N6'), (0, 'O7')),),
+    'HPAT': (((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7')),),
+    'BZAC': (((0, 'C8'), (0, 'O81'), (0, 'O82'), (0, 'C7')),),
+    '3PRU': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'PMMU': (((0, 'C7'), (0, 'N6'), (0, 'N8'), (0, 'O7')),),
+    'BZAA': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    '12MU': (((0, 'C'), (0, 'N1'), (0, 'N2'), (0, 'O')),),
+    'HPME': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    'OEBZ': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    'ATBZ': (((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7')),),
+    'PYMU': (((0, 'C7'), (0, 'N8'), (0, 'N6'), (0, 'O7')),),
+    'ACBZ': (((0, 'C8'), (0, 'C7'), (0, 'N8'), (0, 'O8')),),
+    'NMGN': (((0, 'C4'), (0, 'C3'), (0, 'O4'), (0, 'O5')),),
+    'NMCY': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3'))),
+    'MMMU': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'O')),),
+    'NMGI': (((0, 'C10'), (0, 'O102'), (0, 'O101'), (0, 'C9')),),
+    'MEBZ': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    'AMBA': (((0, 'C9'), (0, 'N8'), (0, 'O9'), (0, 'H9')), ((0, 'C10'), (0, 'C7'), (0, 'O10'), (0, 'H10'))),
+    'NCYP': (((0, 'C2'), (0, 'N1'), (0, 'N2'), (0, 'N3')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3'))),
+    'PNCP': (((0, 'C2'), (0, 'N1'), (0, 'N2'), (0, 'N3')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3'))),
+    'BK2C': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3')), ((0, 'C13'), (0, 'O31'), (0, 'O30'), (0, 'C12'))),
+    'BR2C': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3')), ((0, 'CZ'), (0, 'NE'), (0, 'NH1'), (0, 'NH2'))),
+    'BM2G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'BN2G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'FLMO': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FLMR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FLVO': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FLVR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'RFVO': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'RFVR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FMNO': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FMNR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4A'), (0, 'N3'), (0, 'O4'))),
+    'FAD': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4X'), (0, 'N3'), (0, 'O4')), ((0, 'N6A'), (0, 'H62'), (0, 'H61'), (0, 'C6A'))),
+    'FADR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C4X'), (0, 'N3'), (0, 'O4')), ((0, 'N6A'), (0, 'H62'), (0, 'H61'), (0, 'C6A'))),
+    'ABMB': (((0, 'C12'), (0, 'C1'), (0, 'N1'), (0, 'O')),),
+    'ABEB': (((0, 'C12'), (0, 'C2'), (0, 'N1'), (0, 'O')),),
+    'ABBM': (((0, 'C12'), (0, 'C2'), (0, 'N1'), (0, 'O')),),
+    'ABNB': (((0, 'C12'), (0, 'C2'), (0, 'N1'), (0, 'O')),),
+    'ABSB': (((0, 'C12'), (0, 'C2'), (0, 'N1'), (0, 'O')), ((0, 'C1'), (0, 'N1'), (0, 'N2'), (0, 'S')), ((0, 'C3'), (0, 'C2'), (0, 'N2'), (0, 'HC3'))),
+    'ASBB': (((0, 'C16'), (0, 'C17'), (0, 'O34'), (0, 'S15')),),
+    'SM002': (((0, 'CG'), (0, 'OD2'), (0, 'OD1'), (0, 'CB')),),
+    'SM005': (((0, 'CE'), (0, 'CZ'), (0, 'CD'), (0, 'OE')), ((0, 'CZ'), (0, 'OZ1'), (0, 'OZ2'), (0, 'CE'))),
+    'SM011': (((0, 'CZ1'), (0, 'OJ2'), (0, 'OJ1'), (0, 'CE')),),
+    'SM013': (((0, 'CD'), (0, 'OE1'), (0, 'OE2'), (0, 'CG')),),
+    'SM016': (((0, 'CL3'), (0, 'CM'), (0, 'NN'), (0, 'ON')),),
+    'SM018': (((0, 'NZ1'), (0, 'HZ12'), (0, 'HZ11'), (0, 'CE3')),),
+    'SM019': (((0, 'CJ'), (0, 'OJ2'), (0, 'OJ1'), (0, 'CI')),),
+    'SM021': (((0, 'CZ'), (0, 'OH2'), (0, 'OH1'), (0, 'CE')),),
+    'SM022': (((0, 'C2'), (0, 'C1'), (0, 'N3'), (0, 'O7')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O8'))),
+    'SM025': (((0, 'CZ'), (0, 'NH1'), (0, 'NE1'), (0, 'NH2')),),
+    'SM027': (((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')),),
+    'SM030': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')),),
+    'SM031': (((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1')), ((0, 'C1'), (0, 'O1'), (0, 'O2'), (0, 'C2'))),
+    'SM038': (((0, 'CG'), (0, 'OD2'), (0, 'OD1'), (0, 'CB')),),
+    'SM040': (((0, 'C1'), (0, 'N3'), (0, 'O2'), (0, 'OG')),),
+    'SM041': (((0, 'C3'), (0, 'CA3'), (0, 'O3'), (0, 'H3')),),
+    'SM043': (((0, 'CE'), (0, 'OZ1'), (0, 'OZ2'), (0, 'CD')),),
+    'SM044': (((0, 'CD1'), (0, 'OE12'), (0, 'OE11'), (0, 'CG')), ((0, 'CD2'), (0, 'CG'), (0, 'OE21'), (0, 'OE22'))),
+    'SM045': (((0, 'CD1'), (0, 'OE12'), (0, 'OE11'), (0, 'CG')), ((0, 'CD2'), (0, 'OE21'), (0, 'OE22'), (0, 'CG'))),
+    'SM046': (((0, 'CE1'), (0, 'OZ3'), (0, 'OZ2'), (0, 'CD1')),),
+    'SM047': (((0, 'CZ'), (0, 'NE'), (0, 'NH'), (0, 'OH')),),
+    'SM049': (((0, 'C1'), (0, 'O2'), (0, 'O1'), (0, 'C2')), ((0, 'C4'), (0, 'O5'), (0, 'O4'), (0, 'C3'))),
+    'SM050': (((0, 'C1'), (0, 'C2'), (0, 'C4'), (0, 'O3')),),
+    'SM051': (((0, 'CE'), (0, 'CD'), (0, 'CZ'), (0, 'OE')),),
+    'SM057': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O1')),),
+    'SM058': (((0, 'CL'), (0, 'CAL'), (0, 'NL'), (0, 'OL')),),
+    'SM060': (((0, 'CD1'), (0, 'CG1'), (0, 'OE2'), (0, 'SG')),),
+    'SM061': (((0, 'C1'), (0, 'O2'), (0, 'O1'), (0, 'CA1')),),
+    'SM064': (((0, 'CD2'), (0, 'C1'), (0, 'NG'), (0, 'OD2')),),
+    'SM068': (((0, 'CBI'), (0, 'CBW'), (0, 'NAD'), (0, 'OAG')),),
+    'SM072': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')),),
+    'SM075': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'CG')),),
+    'SM077': (((0, 'CZ'), (0, 'NE'), (0, 'OH'), (0, 'HZ')),),
+    'SM084': (((0, 'C6'), (0, 'C7'), (0, 'N2'), (0, 'S1')),),
+    'SM085': (((0, 'C6'), (0, 'C7'), (0, 'N2'), (0, 'S1')),),
+    'SM086': (((0, 'CZ'), (0, 'NH2'), (0, 'NH1'), (0, 'NE')),),
+    'SM087': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')),),
+    'SM088': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')),),
+    'SM092': (((0, 'NH'), (0, 'HH2'), (0, 'HH1'), (0, 'CZ')),),
+    'SM098': (((0, 'C4A'), (0, 'C4'), (0, 'NZ'), (0, 'H4A')),),
+    'SM099': (((0, 'C7'), (0, 'C3'), (0, 'O7'), (0, 'SG')),),
+    'SM100': (((0, 'CH'), (0, 'CX'), (0, 'NZ'), (0, 'OH')),),
+    'SM101': (((0, 'CX'), (0, 'OQ1'), (0, 'OQ2'), (0, 'NZ')),),
+    'SM102': (((0, 'CX1'), (0, 'CX2'), (0, 'C1'), (0, 'NZ')), ((0, 'CX2'), (0, 'O2'), (0, 'O1'), (0, 'CX1'))),
+    'SM103': (((0, 'CG'), (0, 'CD'), (0, 'CB'), (0, 'OG')), ((0, 'NE2'), (0, 'HE22'), (0, 'HE21'), (0, 'CE2'))),
+    'SM106': (((0, 'CD2'), (0, 'CG'), (0, 'OE'), (0, 'HD2')),),
+    'SM108': (((0, 'C4P'), (0, 'C4'), (0, 'NZ'), (0, 'H4P')),),
+    'SM109': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'CG1')),),
+    'SM110': (((0, 'CG1'), (0, 'CB'), (0, 'OG1'), (0, 'HG11')),),
+    'SM111': (((0, 'C23'), (0, 'C21'), (0, 'NZ'), (0, 'O33')),),
+    'SM116': (((0, 'CX1'), (0, 'CX2'), (0, 'C1'), (0, 'NZ')), ((0, 'CX2'), (0, 'O2'), (0, 'O1'), (0, 'CX1'))),
+    'SM117': (((0, 'CAK'), (0, 'CAG'), (0, 'OAC'), (0, 'SAI')), ((0, 'CAJ'), (0, 'OAB'), (0, 'OAE'), (0, 'CAG'))),
+    'SM118': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')),),
+    'SM127': (((0, 'CLP'), (0, 'CL'), (0, 'N1'), (0, 'OL')), ((0, 'CA1'), (0, 'C1'), (0, 'CB1'), (0, 'N1')), ((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2'))),
+    'SM128': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')),),
+    'SM132': (((0, 'CF'), (0, 'CZ'), (0, 'CJ'), (0, 'OF')),),
+    'SM134': (((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1')),),
+    'SM135': (((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1')),),
+    'SM137': (((0, 'CAD'), (0, 'OAE'), (0, 'OAF'), (0, 'CAC')),),
+    'SM143': (((0, 'CD'), (0, 'NE2'), (0, 'OE1'), (0, 'SG')),),
+    'SM144': (((0, 'C10'), (0, 'O10'), (0, 'O9'), (0, 'C8')),),
+    'SM169': (((0, 'CZ'), (0, 'NE'), (0, 'NH'), (0, 'SZ')),),
+    'SM172': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O2')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'O5'))),
+    'SM173': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O2')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'O5'))),
+    'SM174': (((0, 'CZ2'), (0, 'CH2'), (0, 'CE2'), (0, 'O2')), ((0, 'CH2'), (0, 'CZ3'), (0, 'CZ2'), (0, 'N2'))),
+    'SM176': (((0, 'CZ2'), (0, 'CH2'), (0, 'CE2'), (0, 'O7')), ((0, 'CH2'), (0, 'CZ3'), (0, 'CZ2'), (0, 'O6'))),
+    'SM179': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'CH2')),),
+    'SM180': (((0, 'NE1'), (0, 'HE11'), (0, 'HE12'), (0, 'CE1')),),
+    'SM181': (((0, 'NE2'), (0, 'HE21'), (0, 'HE22'), (0, 'CE2')),),
+    'SM185': (((0, 'CE'), (0, 'CD'), (0, 'NZ2'), (0, 'OZ1')),),
+    'SM187': (((0, 'C1'), (0, 'O2'), (0, 'O1'), (0, 'C2')),),
+    'SM189': (((0, 'CZ'), (0, 'NH1'), (0, 'NE'), (0, 'NH2')),),
+    'SM194': (((0, 'CH'), (0, 'CX'), (0, 'NZ'), (0, 'OH')),),
+    'SM199': (((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1')), ((0, 'C1'), (0, 'O2'), (0, 'O1'), (0, 'C2'))),
+    'SM213': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CA'), (0, 'CB'), (0, 'C'), (0, 'N')), ((0, 'CG'), (0, 'CB'), (0, 'OD1'), (0, 'OD2')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM214': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O2')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'O5'))),
+    'SM215': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')), ((0, 'C3'), (0, 'CA3'), (0, 'N2AL'), (0, 'O3'))),
+    'SM216': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')),),
+    'SM218': (((0, 'C11'), (0, 'C1AL'), (0, 'N1'), (0, 'O11')), ((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')), ((0, 'C1'), (0, 'CA1'), (0, 'N2'), (0, 'N3'))),
+    'SM221': (((0, 'CD1'), (0, 'CG1'), (0, 'OE2'), (0, 'SG')),),
+    'SM224': (((0, 'C11'), (0, 'C1AL'), (0, 'N1'), (0, 'O11')), ((0, 'CY'), (0, 'CAY'), (0, 'N1AL'), (0, 'OY'))),
+    'SM227': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM233': (((0, 'C3'), (0, 'CA3'), (0, 'N2AL'), (0, 'O3')),),
+    'SM234': (((0, 'CJ'), (0, 'OJ1'), (0, 'OJ2'), (0, 'CI')),),
+    'SM237': (((0, 'C11'), (0, 'C1AL'), (0, 'N'), (0, 'O11')), ((0, 'C'), (0, 'CA'), (0, 'N2AL'), (0, 'O'))),
+    'SM238': (((0, 'C11'), (0, 'C1AL'), (0, 'N'), (0, 'O11')), ((0, 'C'), (0, 'CA'), (0, 'N2AL'), (0, 'O'))),
+    'SM239': (((0, 'C11'), (0, 'C1AL'), (0, 'N'), (0, 'O11')), ((0, 'C'), (0, 'CA'), (0, 'N2AL'), (0, 'O'))),
+    'SM240': (((0, 'C11'), (0, 'C1AL'), (0, 'N'), (0, 'O11')), ((0, 'C'), (0, 'CA'), (0, 'N2AL'), (0, 'S'))),
+    'SM241': (((0, 'C11'), (0, 'C1AL'), (0, 'N'), (0, 'O11')), ((0, 'C'), (0, 'CA'), (0, 'N2AL'), (0, 'O'))),
+    'SM242': (((0, 'CLP'), (0, 'CL'), (0, 'N1'), (0, 'OL')), ((0, 'CA1'), (0, 'CB1'), (0, 'C1'), (0, 'N1'))),
+    'MGU3': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'N3')), ((0, 'N2'), (0, 'H21'), (0, 'H22'), (0, 'C'))),
+    'PGUN': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'MGUN': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'ALDD': (((0, 'CLP'), (0, 'CL'), (0, 'NL'), (0, 'OL')), ((0, 'NL'), (0, 'CLP'), (0, 'CA'), (0, 'HL')), ((0, 'CRP'), (0, 'CA'), (0, 'NR'), (0, 'OR')), ((0, 'NR'), (0, 'CRP'), (0, 'CR'), (0, 'HR'))),
+    'DALA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DARG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'DASN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'ND2'), (0, 'CB'), (0, 'OD1')), ((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'CG'), (0, 'HD21'), (0, 'HD22')), ((0, 'ND2'), (0, 'CG'), (0, 'HD22'), (0, 'HD21'))),
+    'DASP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CG'), (0, 'CB'), (0, 'OD2'), (0, 'OD1'))),
+    'DCYS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DGLN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'NE2'), (0, 'CG'), (0, 'OE1')), ((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'CD'), (0, 'HE21'), (0, 'HE22')), ((0, 'NE2'), (0, 'CD'), (0, 'HE22'), (0, 'HE21'))),
+    'DGLU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD'), (0, 'CG'), (0, 'OE2'), (0, 'OE1'))),
+    'DGLY': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHSP': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DILE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DLEU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DLYS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMET': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DPHE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DPRO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DSER': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTHR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTRP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTYR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
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+    'LYR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
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+    'PF5': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'PYR2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DPYR2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'PYZ1': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DPYZ1': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'QU32': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DQU32': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'QX32': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DQX32': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'STYA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DSTYA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TEZA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTEZA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFG4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFG4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFLE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFLE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFP2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFP2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFP3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFP3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TFP4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTFP4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'THG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTHG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'THG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTHG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'THIC': (((0, 'CZ'), (0, 'NE'), (0, 'NH'), (0, 'SZ')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTHIC': (((0, 'CZ'), (0, 'NE'), (0, 'NH'), (0, 'SZ')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TIH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TRO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TTQ': (((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'CH2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TY2': (((0, 'NE1'), (0, 'HE11'), (0, 'HE12'), (0, 'CE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TYQ': (((0, 'NE2'), (0, 'HE21'), (0, 'HE22'), (0, 'CE2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TZA4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DTZA4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'YCM': (((0, 'CE'), (0, 'CD'), (0, 'NZ2'), (0, 'OZ1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'YOF': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '004': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '0A1': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '0BN': (((0, 'CH'), (0, 'NJ2'), (0, 'NJ1'), (0, 'CZ')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '2AG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '2AS': (((0, 'CG1'), (0, 'OD1'), (0, 'OD2'), (0, 'CB')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '3CF': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '3FG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '4CF': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '4CY': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '4HMP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'D4HMP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    '4PH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'AA4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ABA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'AHP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ALC': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ALN': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ALO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ANTH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DANTH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'APD': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'APM': (((0, 'CH'), (0, 'NJ1'), (0, 'NJ2'), (0, 'CE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'AS2': (((0, 'CG'), (0, 'CB'), (0, 'OG'), (0, 'HG')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'BIF': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'BUG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C17'), (0, 'O17'), (0, 'O18'), (0, 'C15'))),
+    'CHG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'CNP2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DCNP2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'CPA3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DCPA3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'D4P': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DAB': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DAH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DIAL': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DDILE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DIPH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DDIPH': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMK': (((0, 'CG1'), (0, 'OD2'), (0, 'OD1'), (0, 'CB')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMP3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DDMP3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DPP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'FPG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DFPG2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'FPG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DFPG3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'FPG4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DFPG4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'FPH3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DFPH3': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'GBUT': (((0, 'CE'), (0, 'NZ1'), (0, 'NZ2'), (0, 'ND')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DGBUT': (((0, 'CE'), (0, 'NZ1'), (0, 'NZ2'), (0, 'ND')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'GME': (((0, 'CD'), (0, 'CG'), (0, 'OE1'), (0, 'OE2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HCS': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HHK': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HIL4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHIL4': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HL2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HLEU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHLEU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HLU': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HPE': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HQA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HRG': (((0, 'CH'), (0, 'NJ1'), (0, 'NZ'), (0, 'NJ2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HRP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HSER': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DHSER': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'HVA': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'I2M': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'IIL': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'ILX': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LDO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LMQ': (((0, 'CD'), (0, 'CG1'), (0, 'NE2'), (0, 'OE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LVG': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MEG': (((0, 'CD'), (0, 'OE2'), (0, 'OE1'), (0, 'CG1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MEN': (((0, 'CG'), (0, 'CB'), (0, 'ND'), (0, 'OD1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MEQ': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MHO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MOT5': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMOT5': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MP34': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMP34': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MPH2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'DMPH2': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'MTR5': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
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+    'MTR6': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
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+    'PXU': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'CD'))),
+    'SUI': (((0, 'CG'), (0, 'CB'), (0, 'N2'), (0, 'OD')), ((0, 'C1'), (0, 'C1A'), (0, 'N2'), (0, 'O1')), ((0, 'C'), (0, 'C2A'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'C1A'), (0, 'HN'))),
+    'SWG': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')), ((0, 'C'), (0, 'CA3'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA1'), (0, 'HN'))),
+    'XYG': (((0, 'CA1'), (0, 'C1'), (0, 'CB1'), (0, 'N')), ((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')), ((0, 'C'), (0, 'CA3'), (1, 'N'), (0, 'O'))),
+    'SM014': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM023': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM032': (((0, 'CT'), (0, 'CM'), (0, 'N'), (0, 'OT')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM035': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CB'), (0, 'CG'), (0, 'CA'), (0, 'N'))),
+    'SM056': (((0, 'CN'), (0, 'ON1'), (0, 'ON2'), (0, 'N')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM070': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CA'), (0, 'CB'), (0, 'C'), (0, 'N')), ((0, 'CG'), (0, 'OD1'), (0, 'OD2'), (0, 'CB')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM071': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CA'), (0, 'CB'), (0, 'C'), (0, 'N')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM076': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CB'), (0, 'OG2'), (0, 'OG1'), (0, 'CA')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM078': (((0, 'CN'), (0, 'N'), (0, 'O1'), (0, 'HCN')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM095': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')),),
+    'SM114': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM115': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')),),
+    'SM119': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2'))),
+    'SM120': (((0, 'C2'), (0, 'CA2'), (0, 'N3'), (0, 'O2')), ((0, 'C'), (0, 'CA3'), (0, 'NR'), (0, 'O'))),
+    'SM136': (((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O')),),
+    'SM138': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM140': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM154': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CG'), (0, 'CB'), (0, 'N2'), (0, 'OD')), ((0, 'C1'), (0, 'C1A'), (0, 'N2'), (0, 'O1')), ((0, 'C'), (0, 'C2A'), (0, 'NR'), (0, 'O'))),
+    'SM155': (((0, 'CLP'), (0, 'CL'), (0, 'N'), (0, 'OL')), ((0, 'CG'), (0, 'CB'), (0, 'N2'), (0, 'OD')), ((0, 'C1'), (0, 'C1A'), (0, 'N2'), (0, 'O1'))),
+    'SM190': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM191': (((0, 'CAD'), (0, 'OAE'), (0, 'OAF'), (0, 'CAC')), ((0, 'C'), (0, 'CA'), (0, 'NR'), (0, 'O'))),
+    'SM192': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM195': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM206': (((0, 'CD'), (0, 'NE2'), (0, 'NG'), (0, 'NE1')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM209': (((0, 'CD'), (0, 'CE'), (0, 'OD'), (0, 'OG')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM210': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM222': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM223': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM226': (((0, 'CD2'), (0, 'C1'), (0, 'NG'), (0, 'OD2')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM228': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM229': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM230': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM231': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM232': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM235': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'SM236': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY'))),
+    'PYRE': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HD1'), (0, 'CE1'), (0, 'CG'), (0, 'CD1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG'))),
+    '3AP2': (((0, 'HE1'), (0, 'NZ'), (0, 'CD1'), (0, 'CE1')), ((0, 'HE2'), (0, 'NZ'), (0, 'CD2'), (0, 'CE2')), ((0, 'HD2'), (0, 'CE2'), (0, 'CG'), (0, 'CD2')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'CD1')), ((0, 'HD11'), (0, 'HD12'), (0, 'ND1'), (0, 'CD1'))),
+    'PTR': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'SEP': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'TPO': (((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'SAM': (((0, 'O'), (0, 'CA'), (0, 'OXT'), (0, 'C')), ((0, 'N6'), (0, 'C6'), (0, 'HN61'), (0, 'HN62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'CYPR': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'CYTH': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'N4EM': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'C41'), (0, 'H42'))),
+    'XPN': (((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'YPN': (((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'GPN': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22')), ((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'CPN': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'TPN': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M')), ((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'UPN': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'APN': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6')), ((0, 'N'), (-1, 'C'), (0, "C6'"), (0, "H1'")), ((0, 'C'), (0, "O1'"), (0, "C2'"), (1, 'N')), ((0, "C3'"), (0, "O3'"), (0, "C4'"), (0, "N2'")), ((0, "N2'"), (0, "C2'"), (0, "C5'"), (0, "C3'"))),
+    'E1XM': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6'))),
+    'E1XE': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6'))),
+    'E1X': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6'))),
+    'OMU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4'))),
+    '2SU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'MSU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '4SU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'S4'))),
+    '52U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '5MU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    '2MU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    'H2U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'MDU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '5HU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'MOU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '3MU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'M3U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'CYU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'PSU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'OMP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '1MP': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2'))),
+    '3MP': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2'))),
+    'SAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '5AU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'U8U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'SEU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'SE2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '5DU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'MAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'SCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'IAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'MIU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'ISU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '5CU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7'))),
+    'OCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9'))),
+    'MEU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9'))),
+    '70U': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C5M'), (0, 'O8'), (0, 'O9'))),
+    'BCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'N8'), (0, 'O8'))),
+    'MCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'N8'), (0, 'O8'))),
+    'HCU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'O82'), (0, 'O81'), (0, 'C7'))),
+    'CMU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9'))),
+    'OAU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C9'), (0, 'O92'), (0, 'O91'), (0, 'C8'))),
+    'OEU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C9'), (0, 'C8'), (0, 'O9'), (0, 'O10'))),
+    '3AU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12'))),
+    '13P': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'O2')), ((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12'))),
+    '5TU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'STU': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'GAU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),),
+    'GCU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')), ((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9'))),
+    'OMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    '2SC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'S2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    '5MC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'MMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'HMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    '5FC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4')), ((0, 'C7'), (0, 'C5'), (0, 'O7'), (0, 'H7'))),
+    'MFC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4')), ((0, 'C7'), (0, 'C5'), (0, 'O7'), (0, 'H7'))),
+    '4MC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4'))),
+    '4OC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4'))),
+    '4AC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C7'), (0, 'C8'), (0, 'N4'), (0, 'O7'))),
+    'MAC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')), ((0, 'C7'), (0, 'C8'), (0, 'N4'), (0, 'O7'))),
+    'TMC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4'))),
+    '3MC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'N4'), (0, 'C5')), ((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4'))),
+    'K2C': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3')), ((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12'))),
+    'R2C': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3')), ((0, 'CZ'), (0, 'NE'), (0, 'NH1'), (0, 'NH2'))),
+    '1PC': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    '3PC': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4'))),
+    'OMA': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'RIA': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    '6MA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'MMA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'M6A': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'MTA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    '2MA': (((0, 'N6'), (0, 'H61'), (0, 'H62'), (0, 'C6')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '8MA': (((0, 'N6'), (0, 'H61'), (0, 'H62'), (0, 'C6')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'INO': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'OMI': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    '1MI': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'MMI': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'SMA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    '6AA': (((0, 'C10'), (0, 'C11'), (0, 'N6'), (0, 'O10')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '1MA': (((0, 'C6'), (0, 'N1'), (0, 'N6'), (0, 'C5')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    'M2A': (((0, 'C6'), (0, 'N1'), (0, 'N6'), (0, 'C5')), ((0, 'N6'), (0, 'H62'), (0, 'H61'), (0, 'C6'))),
+    '6IA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'HIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'MIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'SIA': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    'HNA': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '26A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '66A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'T6A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '12A': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    '6GA': (((0, 'C10'), (0, 'N6'), (0, 'N11'), (0, 'O10')), ((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')), ((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6'))),
+    'OMG': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    'RIG': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    '1MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'M1G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    '2MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'MMG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    '7MG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    '27G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'M7G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'M2G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'MTG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'N2G': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2'))),
+    'DCG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'RCG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2')), ((0, 'C10'), (0, 'N12'), (0, 'N11'), (0, 'C7'))),
+    'DAG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'QUG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'EQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'MQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'GQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'DWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'IMG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'IWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'MWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'YYG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C16'), (0, 'C15'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'HWG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C16'), (0, 'C15'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'PBG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C17'), (0, 'C16'), (0, 'O17'), (0, 'O18')), ((0, 'C21'), (0, 'N20'), (0, 'O22'), (0, 'O23'))),
+    'BMQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'BGQG': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')), ((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'N2')), ((0, 'N2'), (0, 'H22'), (0, 'H21'), (0, 'C2'))),
+    'GMP': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    'GDP': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    'GTP': (((0, 'C2'), (0, 'N3'), (0, 'N1'), (0, 'N2')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    'CMP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'CDP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'CTP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4')), ((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42'))),
+    'TMP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    'TDP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    'TTP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M'))),
+    'UMP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4'))),
+    'UDP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4'))),
+    'UTP': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'O2')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4'))),
+    'NAI': (((0, 'N6A'), (0, 'C6A'), (0, 'H61A'), (0, 'H62A')), ((0, 'C6A'), (0, 'N1A'), (0, 'C5A'), (0, 'N6A')), ((0, 'C7N'), (0, 'N7N'), (0, 'C3N'), (0, 'O7N')), ((0, 'C7N'), (0, 'C3N'), (0, 'N7N'), (0, 'O7N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H71N'), (0, 'H72N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H72N'), (0, 'H71N')), ((0, 'C6N'), (0, 'N1N'), (0, 'C5N'), (0, 'HN6')), ((0, 'C5N'), (0, 'C6N'), (0, 'C4N'), (0, 'H5N')), ((0, 'C4N'), (0, 'C5N'), (0, 'C3N'), (0, 'H41N')), ((0, 'C2N'), (0, 'C3N'), (0, 'N1N'), (0, 'H2N'))),
+    'NAP': (((0, 'N6A'), (0, 'C6A'), (0, 'H61A'), (0, 'H62A')), ((0, 'C6A'), (0, 'N1A'), (0, 'C5A'), (0, 'N6A')), ((0, 'C7N'), (0, 'N7N'), (0, 'C3N'), (0, 'O7N')), ((0, 'C7N'), (0, 'C3N'), (0, 'N7N'), (0, 'O7N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H71N'), (0, 'H72N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H72N'), (0, 'H71N')), ((0, 'C6N'), (0, 'N1N'), (0, 'C5N'), (0, 'HN6')), ((0, 'C5N'), (0, 'C6N'), (0, 'C4N'), (0, 'H5N')), ((0, 'C4N'), (0, 'C5N'), (0, 'C3N'), (0, 'H41N')), ((0, 'C2N'), (0, 'C3N'), (0, 'N1N'), (0, 'H2N'))),
+    'NDP': (((0, 'N6A'), (0, 'C6A'), (0, 'H61A'), (0, 'H62A')), ((0, 'C6A'), (0, 'N1A'), (0, 'C5A'), (0, 'N6A')), ((0, 'C7N'), (0, 'N7N'), (0, 'C3N'), (0, 'O7N')), ((0, 'C7N'), (0, 'C3N'), (0, 'N7N'), (0, 'O7N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H71N'), (0, 'H72N')), ((0, 'N7N'), (0, 'C7N'), (0, 'H72N'), (0, 'H71N')), ((0, 'C6N'), (0, 'N1N'), (0, 'C5N'), (0, 'HN6')), ((0, 'C5N'), (0, 'C6N'), (0, 'C4N'), (0, 'H5N')), ((0, 'C4N'), (0, 'C5N'), (0, 'C3N'), (0, 'H41N')), ((0, 'C2N'), (0, 'C3N'), (0, 'N1N'), (0, 'H2N'))),
+    'NAD1': (((0, 'AN6'), (0, 'AC6'), (0, 'AH61'), (0, 'AH62')), ((0, 'AC6'), (0, 'AN1'), (0, 'AC5'), (0, 'AN6')), ((0, 'NC7'), (0, 'NN7'), (0, 'NC3'), (0, 'NO7')), ((0, 'NC7'), (0, 'NC3'), (0, 'NN7'), (0, 'NO7')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH71'), (0, 'NH72')), ((0, 'NN7'), (0, 'NC7'), (0, 'NH72'), (0, 'NH71')), ((0, 'NC6'), (0, 'NN1'), (0, 'NC5'), (0, 'NH6')), ((0, 'NC5'), (0, 'NC6'), (0, 'NC4'), (0, 'NH5')), ((0, 'NC4'), (0, 'NC5'), (0, 'NC3'), (0, 'NH4')), ((0, 'NC2'), (0, 'NC3'), (0, 'NN1'), (0, 'NH2'))),
+    'PTS': (((0, 'PX'), (0, 'O1X'), (0, 'O2X'), (0, "O3'")),),
+    'ANE5GC': (((0, 'C'), (0, 'C10'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN'))),
+    'BNE5GC': (((0, 'C'), (0, 'C10'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN'))),
+    'AMANNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BMANNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AGULNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGULNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AALTNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BALTNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALGLNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLGLNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALMANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLMANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALGANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLGANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALGUNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLGUNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALTANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLTANA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ALIDNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BLIDNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AALLNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BALLNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ATALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BTALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AIDONA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BIDONA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AMANA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BMANA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AGULA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BGULA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AALTA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BALTA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AALLA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BALLA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'ATALA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BTALA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'ARHMNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BRHMNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AFUCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BFUCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ANEU': (((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11')),),
+    'BNEU': (((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11')),),
+    'ADHA': (((0, 'C7'), (0, 'C6'), (0, 'O72'), (0, 'O71')),),
+    'BDHA': (((0, 'C7'), (0, 'C6'), (0, 'O72'), (0, 'O71')),),
+    'ALGULA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BLGULA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'ALALTA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BLALTA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AMU2AC': (((0, 'C'), (0, 'CT'), (0, 'N2'), (0, 'O')), ((0, 'N2'), (0, 'C'), (0, 'C2'), (0, 'HN2'))),
+    'BMU2AC': (((0, 'C'), (0, 'CT'), (0, 'N2'), (0, 'O')), ((0, 'N2'), (0, 'C'), (0, 'C2'), (0, 'HN2'))),
+    'AMU2GC': (((0, 'C'), (0, 'C10'), (0, 'N2'), (0, 'O')), ((0, 'N2'), (0, 'C'), (0, 'C2'), (0, 'HN2'))),
+    'BMU2GC': (((0, 'C'), (0, 'C10'), (0, 'N2'), (0, 'O')), ((0, 'N2'), (0, 'C'), (0, 'C2'), (0, 'HN2'))),
+    'BKDN': (((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11')),),
+    'AKDN': (((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11')),),
+    'QUITA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C3'), (0, 'HN'))),
+    'BGLGL': (((0, 'CT'), (0, 'CA'), (0, 'OT2'), (0, 'OT1')),),
+    'AQUINA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BQUINA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AGALAA': (((0, 'C'), (0, 'CA'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AGLAA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN')), ((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61'))),
+    'ALGLAA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN')), ((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61'))),
+    'BLEG': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'ALEG': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'A8LEG': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'B8LEG': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'APSE': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'BPSE': (((0, 'C51'), (0, 'CT51'), (0, 'N51'), (0, 'O51')), ((0, 'N51'), (0, 'C51'), (0, 'C5'), (0, 'HN51')), ((0, 'C71'), (0, 'CT71'), (0, 'N71'), (0, 'O71')), ((0, 'N71'), (0, 'C71'), (0, 'C7'), (0, 'HN71'))),
+    'DGLYA': (((0, 'C1'), (0, 'C2'), (0, 'O1B'), (0, 'O1A')),),
+    'SAPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI13': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI14': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI15': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI24': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI25': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI2A': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI2B': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI2C': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI2D': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI33': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI34': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPI35': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI13': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI14': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI15': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI24': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI25': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI2A': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI2B': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI2C': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI2D': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI33': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI34': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPI35': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLIPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI13': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI14': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI15': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI24': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI25': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI2A': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI2B': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI2D': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI2C': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI33': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI34': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPI35': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI13': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI14': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI15': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI24': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI25': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI2A': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI2B': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI2C': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI2D': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI33': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI34': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PNPI35': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI13': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI14': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI15': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI24': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI25': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI2A': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI2B': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI2C': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI2D': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI33': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI34': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPI35': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PYPI': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'SSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'OSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'ASM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'BSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    '23SM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'LSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'NSM': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER2': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER160': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER180': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER181': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER200': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER220': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER240': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER241': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'CER3E': (((0, 'C1F'), (0, 'C2F'), (0, 'NF'), (0, 'OF')), ((0, 'NF'), (0, 'C1F'), (0, 'C2S'), (0, 'HNF'))),
+    'PYPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'YOPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DYPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'YOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DYPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'YOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'YOPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'C7DHPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'C6DHPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'LMPG': (((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')),),
+    'LPPG': (((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')),),
+    'LPC12': (((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')),),
+    'LPC14': (((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')),),
+    'MYR': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'PAL': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'STE': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ARA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'BEH': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TRI': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'LIGN': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'MYRO': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'PALO': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'HTA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'OLE': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'LIN': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ALIN': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'SDA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'GLA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EICO': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EDA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'MEA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DGLA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ETE': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ETA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EPA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ARAN': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'HPA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ERU': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DDA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ADR': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DPT': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DPA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DHA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'NER': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TTA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TPT': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TPA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'THA': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'MYRP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'PALP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'STEP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ARAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'BEHP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TRIP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'LIGNP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'MYROP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'PALOP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'HTAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'OLEP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'LINP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ALINP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'SDAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'GLAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EICOP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EDAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'MEAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DGLAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ETEP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ETAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'EPAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ARANP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'HPAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ERUP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DDAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'ADRP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DPTP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DPAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'DHAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'NERP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TTAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TPTP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'TPAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'THAP': (((0, 'C1'), (0, 'O1'), (0, 'C2'), (0, 'O2')),),
+    'THDPPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'CYSP': (((0, 'C1'), (0, 'O1'), (0, 'SG'), (0, 'C2')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'GLYM': (((0, 'C1'), (0, 'O1'), (0, 'N'), (0, 'C2')), ((0, 'N'), (0, 'C1'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'LYSM': (((0, 'C1'), (0, 'O1'), (0, 'N'), (0, 'C2')), ((0, 'N'), (0, 'C1'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O'))),
+    'CYSL': (((0, 'CA1'), (0, 'OA1'), (0, 'N'), (0, 'CA2')), ((0, 'N'), (0, 'CA1'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'CD1'), (0, 'O12'), (0, 'CD2'), (0, 'OD1')), ((0, 'CX1'), (0, 'O11'), (0, 'CX2'), (0, 'OX1'))),
+    'ABLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'ABLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'BCLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'BCLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'BCLIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'CJLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'CTLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'ECLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'ECLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'ECLIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'HPLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'HPLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'KPLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'KPLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'KPLIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'LILIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'MCLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'NGLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'NGLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'NGLIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PALIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PALIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PALIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PALIPD': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PALIPE': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'SFLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'SELIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'SELIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'SELIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'VCLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'VCLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'VCLIPC': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'VCLIPD': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'VCLIPE': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'YPLIPA': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'YPLIPB': (((0, 'C11'), (0, 'C12'), (0, 'NA2'), (0, 'O11')), ((0, 'NA2'), (0, 'C11'), (0, 'CA2'), (0, 'HNA2')), ((0, 'C51'), (0, 'C52'), (0, 'NB2'), (0, 'O51')), ((0, 'NB2'), (0, 'C51'), (0, 'CB2'), (0, 'HNB2'))),
+    'PVPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PVPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PPPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PMPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'QMPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'OYPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PYPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'IPPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'APPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PHPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PMPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PVCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'DPPGK': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'TOCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TOCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TMCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TMCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TLCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TLCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'PMCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'PMCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TYCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'TYCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LOACL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LOACL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LOCCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LOCCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNACL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNACL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNBCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNBCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNCCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNCCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNDCL1': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'LNDCL2': (((0, 'CB1'), (0, 'O13'), (0, 'CB2'), (0, 'OB1')), ((0, 'CA1'), (0, 'O12'), (0, 'CA2'), (0, 'OA1')), ((0, 'CD1'), (0, 'O33'), (0, 'CD2'), (0, 'OD1')), ((0, 'CC1'), (0, 'O32'), (0, 'CC2'), (0, 'OC1'))),
+    'DDPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DCPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DXPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DGPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DEPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DNPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DXPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DGPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DEPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DNPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SLPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SLPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DYPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DGPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DEPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DNPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'SAPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'SLPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'PLPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DYPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DGPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DEPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DNPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SLPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DYPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DGPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DEPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DNPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SAPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PLPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SDPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DAPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SDPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'SOPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'DAPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'SDPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SOPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DAPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SDPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'SOPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DAPG': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DIPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'TIPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DTPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DUPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLIPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DLIPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'LLPA': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'LLPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'LLPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'LLPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'TSPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DDOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DDOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DDOPS': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C13'), (0, 'C12'), (0, 'O13B'), (0, 'O13A'))),
+    'PDOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'PDOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPP1': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPP2': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPP3': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPP1': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPP2': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPP3': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+}
+patch_impropers = {
+    'ACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))),
+    'ACED': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))),
+    'ACP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))),
+    'ACPD': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))),
+    'CTER': (((0, 'C'), (0, 'CA'), (0, 'OT2'), (0, 'OT1')),),
+    'CNEU': (((0, 'C'), (0, 'CA'), (0, 'OT2'), (0, 'OT1')),),
+    'PCTE': (((0, 'C'), (0, 'CA'), (0, 'OT2'), (0, 'OT1')),),
+    'CT1': (((0, 'C'), (0, 'CA'), (0, 'OT2'), (0, 'OT1')),),
+    'CT2': (((0, 'C'), (0, 'NT'), (0, 'CA'), (0, 'O')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'HT1'), (0, 'HT2')), ((0, 'NT'), (0, 'C'), (0, 'HT2'), (0, 'HT1'))),
+    'CT3': (((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O'))),
+    'HS2': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2'))),
+    'LIG1': (((0, '3N'), (0, '2C'), (0, '3CA'), (0, '3HN')), ((0, '2C'), (0, '2CA'), (0, '3N'), (0, '2O'))),
+    'LINK': (((0, '3N'), (0, '2C'), (0, '3CA'), (0, '3HN')), ((0, '2C'), (0, '2CA'), (0, '3N'), (0, '2O'))),
+    'SAHP': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'GYCO': (((0, 'CD'), (0, 'C23'), (0, 'N'), (0, 'OE1')), ((0, 'CDG'), (0, 'OEG1'), (0, 'OEG2'), (0, 'CG'))),
+    'AMGA': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'GMGA': (((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2')),),
+    'DMGA': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2'))),
+    'AMGT': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2'))),
+    'ATGM': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2'))),
+    'ABGA': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'GBGA': (((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2')),),
+    'DBGA': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'OG1'), (0, 'OG2'))),
+    'ALME': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'G4MPAB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'G4PAB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'G3PABR': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'G3PABS': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'BPAB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'BPAT': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '3MSB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '2MRB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '2APP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')), ((0, 'CZ'), (0, 'CD1'), (0, 'NZ'), (0, 'NG'))),
+    '3APP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '4APP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '2APD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')), ((0, 'CZ'), (0, 'CD1'), (0, 'NZ'), (0, 'NG'))),
+    '3APD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '4APD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '2AFP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '3AFP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '4AFP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '2AFD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '3AFD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '4AFD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '4FBP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '3FBP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '2FBP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    'FBIFR': (((0, 'CD'), (0, 'OD1'), (0, 'OD2'), (0, 'CBG')),),
+    'FBIFS': (((0, 'CD'), (0, 'OD1'), (0, 'OD2'), (0, 'CBG')),),
+    '3MRB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '2MSB': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')),),
+    '3A2MPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '3A2MPP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '3A4MPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '3A5MPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '3A6MPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '4A2MPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '4A2MPP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG'))),
+    '3CPD': (((0, 'CC'), (0, 'CZ'), (0, 'NG'), (0, 'OC')),),
+    '3A46PD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '2AEPD': (((0, 'CG'), (0, 'CC3'), (0, 'NG'), (0, 'OG')),),
+    '2XBD': (((0, 'CX'), (0, 'OX1'), (0, 'OX2'), (0, 'CD2')),),
+    '3XBD': (((0, 'CX'), (0, 'OX1'), (0, 'OX2'), (0, 'CE1')),),
+    '4XBD': (((0, 'CX'), (0, 'OX1'), (0, 'OX2'), (0, 'CP')),),
+    '4XEBD': (((0, 'CX'), (0, 'OX1'), (0, 'OX2'), (0, 'CQ')),),
+    '3XBP': (((0, 'CA'), (0, 'CC1'), (0, 'OA1'), (0, 'OA2')), ((0, 'CX'), (0, 'OX1'), (0, 'OX2'), (0, 'CE1'))),
+    'B5H6': (((0, 'C34'), (0, 'O34A'), (0, 'O34B'), (0, 'C31')), ((0, 'C33'), (0, 'O33A'), (0, 'O33B'), (0, 'C32'))),
+    'B5HE': (((0, 'C34'), (0, 'C31'), (0, 'O34A'), (0, 'O34B')), ((0, 'C33'), (0, 'C32'), (0, 'O33A'), (0, 'O33B'))),
+    'TAUR': (((0, 'CD'), (0, 'C23'), (0, 'N'), (0, 'OE1')),),
+    'RN1': (((0, 'NH1'), (0, 'HH11'), (0, 'HH12'), (0, 'CZ')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'RN2': (((0, 'NE'), (0, 'CD'), (0, 'CZ'), (0, 'HE')), ((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ'))),
+    'RN3': (((0, 'NH2'), (0, 'HH21'), (0, 'HH22'), (0, 'CZ')),),
+    'KAC': (((0, 'NZ'), (0, 'CH'), (0, 'CE'), (0, 'HZ1')), ((0, 'CH'), (0, 'CH3'), (0, 'NZ'), (0, 'OH'))),
+    'AMGY': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')),),
+    'DMCT': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')),),
+    'SAHC': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'PSAM': (((0, 'O'), (0, 'CA'), (0, 'OXT'), (0, 'C')),),
+    '5MC1': (((0, 'N1'), (0, 'C6'), (0, 'C2'), (0, 'H1')),),
+    'INO1': (((0, 'C2'), (0, 'N1'), (0, 'N3'), (0, 'H2')),),
+    '4EG1': (((0, 'N4'), (0, 'C4'), (0, 'C41'), (0, 'H42')),),
+    'CT': (((0, 'C'), (0, "C2'"), (0, 'OT2'), (0, 'OT1')),),
+    'CTN': (((0, 'C'), (0, 'NT'), (0, "C2'"), (0, "O1'")), ((0, 'C'), (0, "C2'"), (0, 'NT'), (0, "O1'")), ((0, 'NT'), (0, 'C'), (0, 'HT1'), (0, 'HT2')), ((0, 'NT'), (0, 'C'), (0, 'HT2'), (0, 'HT1'))),
+    'PACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, "C6'"), (0, "H1'"))),
+    '5UHG': (((0, 'C10'), (0, 'C9'), (0, 'O11'), (0, 'O12')),),
+    '5UHC': (((0, 'C8'), (0, 'C7'), (0, 'O8'), (0, 'O9')),),
+    '5UHO': (((0, 'C9'), (0, 'C8'), (0, 'O9'), (0, 'O10')),),
+    '5UHA': (((0, 'C13'), (0, 'C12'), (0, 'O30'), (0, 'O31')),),
+    'CYTP': (((0, 'N4'), (0, 'H41'), (0, 'H42'), (0, 'C4')), ((0, 'C4'), (0, 'N3'), (0, 'N4'), (0, 'C5'))),
+    '3MCN': (((0, 'C4'), (0, 'C5'), (0, 'N4'), (0, 'N3')),),
+    'ADEP': (((0, 'C6'), (0, 'N1'), (0, 'N6'), (0, 'C5')), ((0, 'N6'), (0, 'H61'), (0, 'H62'), (0, 'C6'))),
+    'ADEI': (((0, 'C6'), (0, 'C5'), (0, 'N6'), (0, 'N1')),),
+    '1MAN': (((0, 'C6'), (0, 'C5'), (0, 'N6'), (0, 'N1')),),
+    '6AH': (((0, 'C13'), (0, 'C12'), (0, 'ODA'), (0, 'ODB')),),
+    'GENO': (((0, 'N2'), (0, 'H21'), (0, 'H22'), (0, 'C2')),),
+    'BUGN': (((0, 'C17'), (0, 'C15'), (0, 'O17'), (0, 'O18')),),
+    'PTSR': (((0, 'PX'), (0, 'O1X'), (0, 'S2X'), (0, "O3'")),),
+    'PTSS': (((0, 'PX'), (0, 'S1X'), (0, 'O2X'), (0, "O3'")),),
+    'PTSD': (((0, 'PX'), (0, 'S1X'), (0, 'S2X'), (0, "O3'")),),
+    'P6EN': (((0, 'C'), (0, 'OT2'), (0, 'NT'), (0, 'OT1')),),
+    '2ANAM': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'N2A')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '2BNAM': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'N2A')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '3ANAM': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'N3A')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '3BNAM': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'N3A')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '5BNAM2': (((0, 'C55'), (0, 'CT55'), (0, 'N55'), (0, 'N5A')), ((0, 'N55'), (0, 'C55'), (0, 'C5'), (0, 'HN55'))),
+    '1ANAC': (((0, 'C11'), (0, 'CT11'), (0, 'N11'), (0, 'O11')), ((0, 'N11'), (0, 'C11'), (0, 'C1'), (0, 'HN11'))),
+    '1BNAC': (((0, 'C11'), (0, 'CT11'), (0, 'N11'), (0, 'O11')), ((0, 'N11'), (0, 'C11'), (0, 'C1'), (0, 'HN11'))),
+    '2ANAC': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'O22')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '2BNAC': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'O22')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '3ANAC': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '3BNAC': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '4ANAC': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNAC': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '9TNAC': (((0, 'CN'), (0, 'CT9'), (0, 'N9'), (0, 'ON')), ((0, 'N9'), (0, 'CN'), (0, 'C9'), (0, 'HN9'))),
+    '2BNFO': (((0, 'C22'), (0, 'H22'), (0, 'N22'), (0, 'O22')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '3ANFO': (((0, 'C33'), (0, 'H33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '3BNFO': (((0, 'C33'), (0, 'H33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '7BNFO': (((0, 'C77'), (0, 'H77'), (0, 'N77'), (0, 'O77')), ((0, 'N77'), (0, 'C77'), (0, 'C7'), (0, 'HN77'))),
+    '2ANSB': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'O22')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '2BNSB': (((0, 'C22'), (0, 'CT22'), (0, 'N22'), (0, 'O22')), ((0, 'N22'), (0, 'C22'), (0, 'C2'), (0, 'HN22'))),
+    '3BNRB': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '5BNRB2': (((0, 'C55'), (0, 'CT55'), (0, 'N55'), (0, 'O55')), ((0, 'N55'), (0, 'C55'), (0, 'C5'), (0, 'HN55'))),
+    '5ANRB2': (((0, 'C55'), (0, 'CT55'), (0, 'N55'), (0, 'O55')), ((0, 'N55'), (0, 'C55'), (0, 'C5'), (0, 'HN55'))),
+    '7BNRB': (((0, 'C77'), (0, 'CT77'), (0, 'N77'), (0, 'O77')), ((0, 'N77'), (0, 'C77'), (0, 'C7'), (0, 'HN77'))),
+    '3BNSB': (((0, 'C33'), (0, 'CT33'), (0, 'N33'), (0, 'O33')), ((0, 'N33'), (0, 'C33'), (0, 'C3'), (0, 'HN33'))),
+    '4BNRB': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4ANRB': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNSB': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNASB': (((0, 'CN'), (0, 'CA'), (0, 'N4'), (0, 'ON')), ((0, 'N4'), (0, 'CN'), (0, 'C4'), (0, 'HN4')), ((0, 'C42'), (0, 'CT42'), (0, 'N42'), (0, 'O42'))),
+    '4BDASB': (((0, 'CN'), (0, 'CA'), (0, 'N4'), (0, 'ON')), ((0, 'N4'), (0, 'CN'), (0, 'C4'), (0, 'HN4')), ((0, 'C42'), (0, 'CT42'), (0, 'N42'), (0, 'O42'))),
+    '3BNANA': (((0, 'CLP3'), (0, 'CL3'), (0, 'NL3'), (0, 'OL3')), ((0, 'NL3'), (0, 'CLP3'), (0, 'CA3'), (0, 'HL3')), ((0, 'CRP3'), (0, 'CA3'), (0, 'NR3'), (0, 'OR3')), ((0, 'NR3'), (0, 'CRP3'), (0, 'C3'), (0, 'HR3'))),
+    '3ANANA': (((0, 'CLP3'), (0, 'CL3'), (0, 'NL3'), (0, 'OL3')), ((0, 'NL3'), (0, 'CLP3'), (0, 'CA3'), (0, 'HL3')), ((0, 'CRP3'), (0, 'CA3'), (0, 'NR3'), (0, 'OR3')), ((0, 'NR3'), (0, 'CRP3'), (0, 'C3'), (0, 'HR3'))),
+    '4BNANA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '4ANANA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '4BNSNA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '3BNSNA': (((0, 'CLP3'), (0, 'CL3'), (0, 'NL3'), (0, 'OL3')), ((0, 'NL3'), (0, 'CLP3'), (0, 'CA3'), (0, 'HL3')), ((0, 'CRP3'), (0, 'CA3'), (0, 'NR3'), (0, 'OR3')), ((0, 'NR3'), (0, 'CRP3'), (0, 'C3'), (0, 'HR3'))),
+    '4ANTNA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '4BNTNA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'H4'))),
+    '4ANGNA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '4BNGNA': (((0, 'CLP4'), (0, 'CL4'), (0, 'NL4'), (0, 'OL4')), ((0, 'NL4'), (0, 'CLP4'), (0, 'CA4'), (0, 'HL4')), ((0, 'CRP4'), (0, 'CA4'), (0, 'NR4'), (0, 'OR4')), ((0, 'NR4'), (0, 'CRP4'), (0, 'C4'), (0, 'HR4'))),
+    '6TNG2': (((0, 'CT6'), (0, 'CA6'), (0, 'OT62'), (0, 'OT61')),),
+    '6TNG': (((0, 'CT6'), (0, 'CA6'), (0, 'OT62'), (0, 'OT61')),),
+    '7TNG': (((0, 'CT7'), (0, 'CA7'), (0, 'OT72'), (0, 'OT71')),),
+    '2ANA': (((0, 'CRP2'), (0, 'CA2'), (0, 'NR2'), (0, 'OR2')), ((0, 'NR2'), (0, 'CRP2'), (0, 'C2'), (0, 'HR2'))),
+    '2BNA': (((0, 'CRP2'), (0, 'CA2'), (0, 'NR2'), (0, 'OR2')), ((0, 'NR2'), (0, 'CRP2'), (0, 'C2'), (0, 'HR2'))),
+    '6TCOO': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    '3BMDP': (((0, 'NX'), (0, 'CE3'), (0, 'CAX'), (0, 'HNX')), ((0, 'CX'), (0, 'CAX'), (0, 'NY'), (0, 'OX')), ((0, 'NY'), (0, 'CX'), (0, 'CAY'), (0, 'HNY')), ((0, 'CY'), (0, 'CGY'), (0, 'NT'), (0, 'OY')), ((0, 'CD'), (0, 'CA'), (0, 'OE2'), (0, 'OE1')), ((0, 'CY'), (0, 'NT'), (0, 'CAY'), (0, 'OY')), ((0, 'CY'), (0, 'CAY'), (0, 'NT'), (0, 'OY')), ((0, 'NT'), (0, 'C'), (0, 'HT21'), (0, 'HT2')), ((0, 'NT'), (0, 'C'), (0, 'HT2'), (0, 'HT21'))),
+    '6COOME': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    '1AGLYA': (((0, 'C7'), (0, 'C8'), (0, 'O7B'), (0, 'O7A')),),
+    '1BGLYA': (((0, 'C7'), (0, 'C8'), (0, 'O7B'), (0, 'O7A')),),
+    '1AOS': (((0, 'CP'), (0, 'CA1'), (0, 'OT2'), (0, 'OT1')),),
+    '1ANGF': (((0, 'C'), (0, 'CA'), (0, 'N1'), (0, 'O')), ((0, 'N1'), (0, 'C'), (0, 'C1'), (0, 'HN1'))),
+    '1BNGF': (((0, 'C'), (0, 'CA'), (0, 'N1'), (0, 'O')), ((0, 'N1'), (0, 'C'), (0, 'C1'), (0, 'HN1'))),
+    'LIPAN1': (((0, 'C11'), (0, 'C12'), (0, 'N'), (0, 'O11')), ((0, 'N'), (0, 'C11'), (0, 'C2'), (0, 'HN2'))),
+    'LIPAN2': (((0, 'C31'), (0, 'C32'), (0, 'N'), (0, 'O31')), ((0, 'N'), (0, 'C31'), (0, 'C2'), (0, 'HN2'))),
+    '4ANSDB': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNSDB': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4ANDHH': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNDHH': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4ANRHP': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNRHP': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4ANSHP': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '4BNSHP': (((0, 'C44'), (0, 'CT44'), (0, 'N44'), (0, 'O44')), ((0, 'N44'), (0, 'C44'), (0, 'C4'), (0, 'HN44'))),
+    '3AALAF': (((0, 'CN'), (0, 'CA'), (0, 'N3'), (0, 'ON')), ((0, 'N3'), (0, 'CN'), (0, 'C3'), (0, 'HN3')), ((0, 'CF'), (0, 'HF1'), (0, 'NF'), (0, 'OF'))),
+    '3BALAF': (((0, 'CN'), (0, 'CA'), (0, 'N3'), (0, 'ON')), ((0, 'N3'), (0, 'CN'), (0, 'C3'), (0, 'HN3')), ((0, 'CF'), (0, 'HF1'), (0, 'NF'), (0, 'OF'))),
+    '3ANOPR': (((0, 'C'), (0, 'CA'), (0, 'N3'), (0, 'O')), ((0, 'CD'), (0, 'N'), (0, 'CG'), (0, 'OE'))),
+}
+delete_impropers = {
+    'AMGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'GMGA': (((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3')),),
+    'DMGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))),
+    'AMGT': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))),
+    'ATGM': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))),
+    'ABGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'GBGA': (((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3')),),
+    'DBGA': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')), ((0, 'CG'), (0, 'OG2'), (0, 'OG1'), (0, 'CC3'))),
+    'ALME': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'G4MPAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'G4PAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'G3PABR': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'G3PABS': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'BPAB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'BPAT': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3MSB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '2MRB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '2APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '4APP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '2AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '4AFP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '4FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '2FBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3MRB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '2MSB': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3A2MPP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '4A2MPP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    '3XBP': (((0, 'CA'), (0, 'OA2'), (0, 'OA1'), (0, 'CC1')),),
+    'DFTO': (((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'C5M')), ((0, 'C4'), (0, 'C3'), (0, 'C5'), (0, 'F4')), ((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'F2'))),
+    'ENOU': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'O4')),),
+    'UENO': (((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'O4')),),
+    '5UHG': (((0, 'C10'), (0, 'O11'), (0, 'O12'), (0, 'C9')),),
+    '5UHA': (((0, 'C13'), (0, 'O30'), (0, 'O31'), (0, 'C12')),),
+    'CYTP': (((0, 'N4'), (0, 'C4'), (0, 'H41'), (0, 'H42')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N4'))),
+    '3MCN': (((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N4')),),
+    'ADEP': (((0, 'N6'), (0, 'C6'), (0, 'H61'), (0, 'H62')), ((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6'))),
+    'ADEI': (((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'N6')),),
+    '1MAN': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'N6')),),
+    '6AH': (((0, 'C13'), (0, 'ODB'), (0, 'ODA'), (0, 'C12')),),
+    'GENO': (((0, 'C6'), (0, 'N1'), (0, 'C5'), (0, 'O6')), ((0, 'N2'), (0, 'H21'), (0, 'C2'), (0, 'H22'))),
+    '7MGE': (((0, 'C6'), (0, 'C5'), (0, 'N1'), (0, 'O6')),),
+    'BUGN': (((0, 'C17'), (0, 'O17'), (0, 'O18'), (0, 'C15')),),
+}
+
+residue_order = {
+    'ALA': 0,
+    'ARG': 1,
+    'ASN': 2,
+    'ASP': 3,
+    'CYS': 4,
+    'GLN': 5,
+    'GLU': 6,
+    'GLY': 7,
+    'HSD': 8,
+    'HSE': 9,
+    'HSP': 10,
+    'ILE': 11,
+    'LEU': 12,
+    'LYS': 13,
+    'MET': 14,
+    'PHE': 15,
+    'PRO': 16,
+    'SER': 17,
+    'THR': 18,
+    'TRP': 19,
+    'TYR': 20,
+    'VAL': 21,
+    'ALAD': 22,
+    'CYM': 23,
+    'GUA': 24,
+    'ADE': 25,
+    'CYT': 26,
+    'THY': 27,
+    'URA': 28,
+    'AGLCA': 29,
+    'BGLCA': 30,
+    'BGLCA0': 31,
+    'AIDOA': 32,
+    'BIDOA': 33,
+    'AGLCNA': 34,
+    'BGLCNA': 35,
+    'BGLCN0': 36,
+    'AGALNA': 37,
+    'BGALNA': 38,
+    'ANE5AC': 39,
+    'BNE5AC': 40,
+    'ALLOSE': 41,
+    'PSICOS': 42,
+    'LPPC': 43,
+    'DLPC': 44,
+    'DLPE': 45,
+    'DLPS': 46,
+    'DLPA': 47,
+    'DLPG': 48,
+    'DMPC': 49,
+    'DMPE': 50,
+    'DMPS': 51,
+    'DMPA': 52,
+    'DMPG': 53,
+    'DPPC': 54,
+    'DPPE': 55,
+    'DPPS': 56,
+    'DPPA': 57,
+    'DPPG': 58,
+    'DSPC': 59,
+    'DSPE': 60,
+    'DSPS': 61,
+    'DSPA': 62,
+    'DSPG': 63,
+    'DOPC': 64,
+    'DOPE': 65,
+    'DOPS': 66,
+    'DOPA': 67,
+    'DOPG': 68,
+    'POPC': 69,
+    'POPE': 70,
+    'POPS': 71,
+    'POPA': 72,
+    'POPG': 73,
+    'SAPC': 74,
+    'SDPC': 75,
+    'SOPC': 76,
+    'DAPC': 77,
+    'ACET': 78,
+    'PROA': 79,
+    'GUAN': 80,
+    'MGUA': 81,
+    'GLYN': 82,
+    'ACEH': 83,
+    'FORM': 84,
+    'ACEM': 85,
+    'PRAM': 86,
+    'NMA': 87,
+    'AANM': 88,
+    'APNH': 89,
+    'PDIP': 90,
+    'PNH2': 91,
+    'CO3': 92,
+    'AALD': 93,
+    'PALD': 94,
+    'CALD': 95,
+    'BALD': 96,
+    '4AP2': 97,
+    '3APY': 98,
+    '34AP': 99,
+    '3CPY': 100,
+    '3FLP': 101,
+    '3ALP': 102,
+    '3HOP': 103,
+    '3MEP': 104,
+    '3ETP': 105,
+    '3BPY': 106,
+    '3CYP': 107,
+    '3ACP': 108,
+    '3NAP': 109,
+    '3CAP': 110,
+    '3PHP': 111,
+    '3BNP': 112,
+    'MAS': 113,
+    'ETAC': 114,
+    'MPRO': 115,
+    'ACHO': 116,
+    'GLYC': 117,
+    'AAPM': 118,
+    'MBUT': 119,
+    'CSAD': 120,
+    'CSGU': 121,
+    'CSTH': 122,
+    'CSCY': 123,
+    'CNAD': 124,
+    'CNGU': 125,
+    'CNTH': 126,
+    'CNT1': 127,
+    'CNT2': 128,
+    'CNT3': 129,
+    'CNCY': 130,
+    'THFI': 131,
+    'THMI': 132,
+    'TADE': 133,
+    'TCYT': 134,
+    'TGUA': 135,
+    'TTHY': 136,
+    'TURA': 137,
+    'THAO': 138,
+    'NUSA': 139,
+    'NUSG': 140,
+    'NUSC': 141,
+    'NUST': 142,
+    'NUSU': 143,
+    'RNUS': 144,
+    'RNUA': 145,
+    'RNUG': 146,
+    'RNUC': 147,
+    'NUCL': 148,
+    'NADE': 149,
+    'NTHY': 150,
+    'NIC': 151,
+    'NICH': 152,
+    'AMP': 153,
+    'ADP': 154,
+    'ATP': 155,
+    'NAD': 156,
+    'NADH': 157,
+    'NADP': 158,
+    'NDPH': 159,
+    'MAM1': 160,
+    'SAH': 161,
+    'BF6': 162,
+    'BF7': 163,
+    'BCA': 164,
+    'C36': 165,
+    'C37': 166,
+    'C3C': 167,
+    'PRAL': 168,
+    'UREA': 169,
+    'MGU1': 170,
+    'MGU2': 171,
+    'HDZ1': 172,
+    'HDZ2': 173,
+    'CA': 174,
+    'DCA': 175,
+    'LCA': 176,
+    'CDCA': 177,
+    'UDCA': 178,
+    'GA': 179,
+    'BAB1': 180,
+    'FBIB': 181,
+    '2PDO': 182,
+    'ACO': 183,
+    'IPAA': 184,
+    'AMOP': 185,
+    '2MPA': 186,
+    '2AMP': 187,
+    '3AMP': 188,
+    '2AMF': 189,
+    'GABD': 190,
+    'AMOL': 191,
+    '9MAD': 192,
+    '1MTH': 193,
+    'FORA': 194,
+    'BTON': 195,
+    'CHON': 196,
+    'DMTT': 197,
+    'DMCB': 198,
+    'DECB': 199,
+    'FORH': 200,
+    'DMA': 201,
+    'DMF': 202,
+    'MRDN': 203,
+    'MEOI': 204,
+    'OIRD': 205,
+    'BAB2': 206,
+    'DMCA': 207,
+    'DECA': 208,
+    'URAC': 209,
+    '2PYO': 210,
+    'HDZ1B': 211,
+    'PHMK': 212,
+    'PHEK': 213,
+    'BEON': 214,
+    'AMDN': 215,
+    'BAMI': 216,
+    'PNTM': 217,
+    'MHYO': 218,
+    'OIHY': 219,
+    'MOET': 220,
+    'MOBU': 221,
+    'MTDO': 222,
+    'AMET': 223,
+    'NIME': 224,
+    'NIPR': 225,
+    'AZDO': 226,
+    'ZOIC': 227,
+    'MBOA': 228,
+    'YTHY': 229,
+    'RIN': 230,
+    'YTS2': 231,
+    'YT4S': 232,
+    'YT2S': 233,
+    'TC243C': 234,
+    '4PYO': 235,
+    '1PH4PO': 236,
+    '21QU': 237,
+    '1PH2PO': 238,
+    '3PHURA': 239,
+    'URA2S': 240,
+    '3PH2SR': 241,
+    'URA4S': 242,
+    '3PH4SR': 243,
+    'URA24S': 244,
+    '3PH24S': 245,
+    '43HPY': 246,
+    '43PPY': 247,
+    '43HSPY': 248,
+    '43HSPP': 249,
+    '4O2SM': 250,
+    'NZAD': 251,
+    'NACT': 252,
+    'CO31': 253,
+    'GBL': 254,
+    'B2FO': 255,
+    'A2FO': 256,
+    'MT2A': 257,
+    'DH3T': 258,
+    'EEPI': 259,
+    'PYO2B': 260,
+    'PYO3B': 261,
+    'PYO2F': 262,
+    'PYO3F': 263,
+    'BTMC': 264,
+    'BM6A': 265,
+    'CBHH': 266,
+    'WEI1': 267,
+    'WEI2': 268,
+    'MSCH': 269,
+    'WEI3': 270,
+    'INCA': 271,
+    'TICA': 272,
+    'GTPG': 273,
+    'GTGN': 274,
+    'GTSS': 275,
+    'GTNS': 276,
+    '2OXT': 277,
+    '3OXT': 278,
+    'PRF': 279,
+    'B2SU': 280,
+    'B4SU': 281,
+    'B52U': 282,
+    'BH2U': 283,
+    'BMDU': 284,
+    'B5HU': 285,
+    'BMOU': 286,
+    'B3MU': 287,
+    'BCYU': 288,
+    'BPSU': 289,
+    'B1MP': 290,
+    'B3MP': 291,
+    'BSAU': 292,
+    'B5AU': 293,
+    'BU8U': 294,
+    'BSEU': 295,
+    'B5DU': 296,
+    'BSCU': 297,
+    'BIAU': 298,
+    'BISU': 299,
+    'B5CU': 300,
+    'BOCU': 301,
+    'B70U': 302,
+    'BBCU': 303,
+    'BHCU': 304,
+    'BCMU': 305,
+    'BOAU': 306,
+    'BOEU': 307,
+    'B3AU': 308,
+    'B13P': 309,
+    'B5TU': 310,
+    'BSTU': 311,
+    'BGAU': 312,
+    'BGCU': 313,
+    'B2SC': 314,
+    'B5MC': 315,
+    'BHMC': 316,
+    'B5FC': 317,
+    'B4MC': 318,
+    'B4AC': 319,
+    'B3MC': 320,
+    'B1PC': 321,
+    'B3PC': 322,
+    'B6MA': 323,
+    'B2MA': 324,
+    'B8MA': 325,
+    'BINO': 326,
+    'B1MI': 327,
+    'BSMA': 328,
+    'B6AA': 329,
+    'B1MA': 330,
+    'B6IA': 331,
+    'BHIA': 332,
+    'BMIA': 333,
+    'BSIA': 334,
+    'BHNA': 335,
+    'B26A': 336,
+    'B66A': 337,
+    'BT6A': 338,
+    'B12A': 339,
+    'B6GA': 340,
+    'B1MG': 341,
+    'B2MG': 342,
+    'B7MG': 343,
+    'B27G': 344,
+    'BDCG': 345,
+    'BRCG': 346,
+    'BDAG': 347,
+    'BQUG': 348,
+    'BEQG': 349,
+    'BDWG': 350,
+    'BIMG': 351,
+    'BIWG': 352,
+    'BMWG': 353,
+    'BYYG': 354,
+    'BHWG': 355,
+    'BPBG': 356,
+    'BBUG': 357,
+    '7MIP': 358,
+    'M6PA': 359,
+    'MOAC': 360,
+    '5FOP': 361,
+    'PESU': 362,
+    'CMBZ': 363,
+    'PRNC': 364,
+    'BZHA': 365,
+    'MOAT': 366,
+    'MOAE': 367,
+    'MPYU': 368,
+    'HPAT': 369,
+    'BZAC': 370,
+    '3PRU': 371,
+    'PMMU': 372,
+    'BZAA': 373,
+    '12MU': 374,
+    'HPME': 375,
+    'OEBZ': 376,
+    'ATBZ': 377,
+    'PYMU': 378,
+    'ACBZ': 379,
+    'NMGN': 380,
+    'NMCY': 381,
+    'MMMU': 382,
+    'NMGI': 383,
+    'MEBZ': 384,
+    'AMBA': 385,
+    'NCYP': 386,
+    'PNCP': 387,
+    'BK2C': 388,
+    'BR2C': 389,
+    'BM2G': 390,
+    'BN2G': 391,
+    'FLMO': 392,
+    'FLMR': 393,
+    'FLVO': 394,
+    'FLVR': 395,
+    'RFVO': 396,
+    'RFVR': 397,
+    'FMNO': 398,
+    'FMNR': 399,
+    'FAD': 400,
+    'FADR': 401,
+    'ABMB': 402,
+    'ABEB': 403,
+    'ABBM': 404,
+    'ABNB': 405,
+    'ABSB': 406,
+    'ASBB': 407,
+    'SM002': 408,
+    'SM005': 409,
+    'SM011': 410,
+    'SM013': 411,
+    'SM016': 412,
+    'SM018': 413,
+    'SM019': 414,
+    'SM021': 415,
+    'SM022': 416,
+    'SM025': 417,
+    'SM027': 418,
+    'SM030': 419,
+    'SM031': 420,
+    'SM038': 421,
+    'SM040': 422,
+    'SM041': 423,
+    'SM043': 424,
+    'SM044': 425,
+    'SM045': 426,
+    'SM046': 427,
+    'SM047': 428,
+    'SM049': 429,
+    'SM050': 430,
+    'SM051': 431,
+    'SM057': 432,
+    'SM058': 433,
+    'SM060': 434,
+    'SM061': 435,
+    'SM064': 436,
+    'SM068': 437,
+    'SM072': 438,
+    'SM075': 439,
+    'SM077': 440,
+    'SM084': 441,
+    'SM085': 442,
+    'SM086': 443,
+    'SM087': 444,
+    'SM088': 445,
+    'SM092': 446,
+    'SM098': 447,
+    'SM099': 448,
+    'SM100': 449,
+    'SM101': 450,
+    'SM102': 451,
+    'SM103': 452,
+    'SM106': 453,
+    'SM108': 454,
+    'SM109': 455,
+    'SM110': 456,
+    'SM111': 457,
+    'SM116': 458,
+    'SM117': 459,
+    'SM118': 460,
+    'SM127': 461,
+    'SM128': 462,
+    'SM132': 463,
+    'SM134': 464,
+    'SM135': 465,
+    'SM137': 466,
+    'SM143': 467,
+    'SM144': 468,
+    'SM169': 469,
+    'SM172': 470,
+    'SM173': 471,
+    'SM174': 472,
+    'SM176': 473,
+    'SM179': 474,
+    'SM180': 475,
+    'SM181': 476,
+    'SM185': 477,
+    'SM187': 478,
+    'SM189': 479,
+    'SM194': 480,
+    'SM199': 481,
+    'SM213': 482,
+    'SM214': 483,
+    'SM215': 484,
+    'SM216': 485,
+    'SM218': 486,
+    'SM221': 487,
+    'SM224': 488,
+    'SM227': 489,
+    'SM233': 490,
+    'SM234': 491,
+    'SM237': 492,
+    'SM238': 493,
+    'SM239': 494,
+    'SM240': 495,
+    'SM241': 496,
+    'SM242': 497,
+    'MGU3': 498,
+    'PGUN': 499,
+    'MGUN': 500,
+    'ALDD': 501,
+    'DALA': 502,
+    'DARG': 503,
+    'DASN': 504,
+    'DASP': 505,
+    'DCYS': 506,
+    'DGLN': 507,
+    'DGLU': 508,
+    'DGLY': 509,
+    'DHSD': 510,
+    'DHSE': 511,
+    'DHSP': 512,
+    'DILE': 513,
+    'DLEU': 514,
+    'DLYS': 515,
+    'DMET': 516,
+    'DPHE': 517,
+    'DPRO': 518,
+    'DSER': 519,
+    'DTHR': 520,
+    'DTRP': 521,
+    'DTYR': 522,
+    'DVAL': 523,
+    'LYR': 524,
+    'HEME': 525,
+    'LFN': 526,
+    'LFNR': 527,
+    'RBF': 528,
+    'RBFR': 529,
+    'FMN': 530,
+    'FOL': 531,
+    'FOLN1': 532,
+    'FOLDPR': 533,
+    'PTM6N3': 534,
+    'PTM6N1': 535,
+    'PTRN1': 536,
+    'PE0': 537,
+    'DPRPTR': 538,
+    'THG': 539,
+    'THGN1': 540,
+    'DHF': 541,
+    'DHFN1': 542,
+    'TPT358': 543,
+    'TPT158': 544,
+    'DPTN38': 545,
+    'DPTN18': 546,
+    'H4B': 547,
+    'H4BN1': 548,
+    'COB': 549,
+    'F430': 550,
+    'F43T': 551,
+    'F43A': 552,
+    'ALY': 553,
+    'DORN': 554,
+    'NLE': 555,
+    'AIBD': 556,
+    'AIB': 557,
+    'ASPM': 558,
+    'LEM': 559,
+    'LYM': 560,
+    'NMGLYD': 561,
+    'MGY': 562,
+    'HYP': 563,
+    'HIC': 564,
+    'HICP': 565,
+    'NAPH': 566,
+    '143': 567,
+    '0TD': 568,
+    '2CO': 569,
+    '4HH': 570,
+    '5CS': 571,
+    '6V1': 572,
+    'AGT': 573,
+    'ALS': 574,
+    'APK': 575,
+    'ASB': 576,
+    'BXT': 577,
+    'CGU': 578,
+    'CGV': 579,
+    'CME': 580,
+    'CML': 581,
+    'CSO': 582,
+    'CSS': 583,
+    'CSU': 584,
+    'CSX': 585,
+    'CYD': 586,
+    'CYF': 587,
+    'CYG': 588,
+    'CYQP': 589,
+    'DBZ': 590,
+    'DDE': 591,
+    'FHO': 592,
+    'FZN': 593,
+    'HIP': 594,
+    'HIX': 595,
+    'HTI': 596,
+    'IAM': 597,
+    'IT1': 598,
+    'IT1P': 599,
+    'JJJ': 600,
+    'KCR': 601,
+    'KCX': 602,
+    'KPI': 603,
+    'LA2': 604,
+    'LLP': 605,
+    'LLPP': 606,
+    'M0H': 607,
+    'MCL': 608,
+    'MCS': 609,
+    'MHS': 610,
+    'MLZ': 611,
+    'NEP': 612,
+    'PRV': 613,
+    'QCS': 614,
+    'QPA': 615,
+    'R1A': 616,
+    'SDP': 617,
+    'SEB': 618,
+    'SEN': 619,
+    'SGB': 620,
+    'SNC': 621,
+    'SUN': 622,
+    'SVX': 623,
+    'SVY': 624,
+    'TOX': 625,
+    'TPQ': 626,
+    'TQQ': 627,
+    'TRQ': 628,
+    'TRW': 629,
+    'TS9': 630,
+    'TYS': 631,
+    'XCN': 632,
+    '0AF': 633,
+    '26P': 634,
+    '2FM': 635,
+    '2HF': 636,
+    '2HFD': 637,
+    '2HFE': 638,
+    '2NP': 639,
+    '32T': 640,
+    '3GL': 641,
+    '4FW': 642,
+    '4HT': 643,
+    '4IN': 644,
+    '6CL': 645,
+    'ACZ': 646,
+    'AGM': 647,
+    'AHB': 648,
+    'ARO': 649,
+    'AZDA': 650,
+    'DAZDA': 651,
+    'BB8': 652,
+    'BCS': 653,
+    'BHD': 654,
+    'BTH3': 655,
+    'DBTH3': 656,
+    'CAN': 657,
+    'CCS': 658,
+    'CIR': 659,
+    'CSA': 660,
+    'DDZ': 661,
+    'ESC': 662,
+    'F2F': 663,
+    'FGA4': 664,
+    'DFGA4': 665,
+    'FPH2': 666,
+    'DFPH2': 667,
+    'FT6': 668,
+    'FTR': 669,
+    'FUA2': 670,
+    'DFUA2': 671,
+    'FVAL': 672,
+    'DFVAL': 673,
+    'GDPR': 674,
+    'DGDPR': 675,
+    'GGB': 676,
+    'GGBP': 677,
+    'GHG': 678,
+    'HGA': 679,
+    'HOX': 680,
+    'HTR': 681,
+    'IGL': 682,
+    'KYN': 683,
+    'LE1': 684,
+    'LED': 685,
+    'LEF': 686,
+    'LME': 687,
+    'LVN': 688,
+    'M2S': 689,
+    'ME0': 690,
+    'NIY': 691,
+    'OBF': 692,
+    'OCY': 693,
+    'OMX': 694,
+    'PBF': 695,
+    'PF5': 696,
+    'PYR2': 697,
+    'DPYR2': 698,
+    'PYZ1': 699,
+    'DPYZ1': 700,
+    'QU32': 701,
+    'DQU32': 702,
+    'QX32': 703,
+    'DQX32': 704,
+    'STYA': 705,
+    'DSTYA': 706,
+    'TEZA': 707,
+    'DTEZA': 708,
+    'TFG2': 709,
+    'DTFG2': 710,
+    'TFG3': 711,
+    'DTFG3': 712,
+    'TFG4': 713,
+    'DTFG4': 714,
+    'TFLE': 715,
+    'DTFLE': 716,
+    'TFP2': 717,
+    'DTFP2': 718,
+    'TFP3': 719,
+    'DTFP3': 720,
+    'TFP4': 721,
+    'DTFP4': 722,
+    'THG2': 723,
+    'DTHG2': 724,
+    'THG3': 725,
+    'DTHG3': 726,
+    'THIC': 727,
+    'DTHIC': 728,
+    'TIH': 729,
+    'TRO': 730,
+    'TTQ': 731,
+    'TY2': 732,
+    'TYQ': 733,
+    'TZA4': 734,
+    'DTZA4': 735,
+    'YCM': 736,
+    'YOF': 737,
+    '004': 738,
+    '0A1': 739,
+    '0BN': 740,
+    '2AG': 741,
+    '2AS': 742,
+    '3CF': 743,
+    '3FG': 744,
+    '4CF': 745,
+    '4CY': 746,
+    '4HMP': 747,
+    'D4HMP': 748,
+    '4PH': 749,
+    'AA4': 750,
+    'ABA': 751,
+    'AHP': 752,
+    'ALC': 753,
+    'ALN': 754,
+    'ALO': 755,
+    'ANTH': 756,
+    'DANTH': 757,
+    'APD': 758,
+    'APM': 759,
+    'AS2': 760,
+    'BIF': 761,
+    'BUG': 762,
+    'CHG': 763,
+    'CNP2': 764,
+    'DCNP2': 765,
+    'CPA3': 766,
+    'DCPA3': 767,
+    'D4P': 768,
+    'DAB': 769,
+    'DAH': 770,
+    'DIAL': 771,
+    'DDILE': 772,
+    'DIPH': 773,
+    'DDIPH': 774,
+    'DMK': 775,
+    'DMP3': 776,
+    'DDMP3': 777,
+    'DPP': 778,
+    'FPG2': 779,
+    'DFPG2': 780,
+    'FPG3': 781,
+    'DFPG3': 782,
+    'FPG4': 783,
+    'DFPG4': 784,
+    'FPH3': 785,
+    'DFPH3': 786,
+    'GBUT': 787,
+    'DGBUT': 788,
+    'GME': 789,
+    'HCS': 790,
+    'HHK': 791,
+    'HIL4': 792,
+    'DHIL4': 793,
+    'HL2': 794,
+    'HLEU': 795,
+    'DHLEU': 796,
+    'HLU': 797,
+    'HPE': 798,
+    'HQA': 799,
+    'HRG': 800,
+    'HRP': 801,
+    'HSER': 802,
+    'DHSER': 803,
+    'HVA': 804,
+    'I2M': 805,
+    'IIL': 806,
+    'ILX': 807,
+    'LDO': 808,
+    'LMQ': 809,
+    'LVG': 810,
+    'MEG': 811,
+    'MEN': 812,
+    'MEQ': 813,
+    'MHO': 814,
+    'MOT5': 815,
+    'DMOT5': 816,
+    'MP34': 817,
+    'DMP34': 818,
+    'MPH2': 819,
+    'DMPH2': 820,
+    'MTR5': 821,
+    'DMTR5': 822,
+    'MTR6': 823,
+    'DMTR6': 824,
+    'MTY': 825,
+    'NAL': 826,
+    'NAO1': 827,
+    'DNAO1': 828,
+    'NAO2': 829,
+    'DNAO2': 830,
+    'NVA': 831,
+    'OAS': 832,
+    'OLT': 833,
+    'OMT': 834,
+    'ONL': 835,
+    'ORN': 836,
+    'OTYR': 837,
+    'DOTYR': 838,
+    'PFF': 839,
+    'PPN': 840,
+    'PYR3': 841,
+    'DPYR3': 842,
+    'PYR4': 843,
+    'DPYR4': 844,
+    'QU33': 845,
+    'DQU33': 846,
+    'QU34': 847,
+    'DQU34': 848,
+    'QU35': 849,
+    'DQU35': 850,
+    'QU36': 851,
+    'DQU36': 852,
+    'SLZ': 853,
+    'SME': 854,
+    'SYM': 855,
+    'TBP4': 856,
+    'DTBP4': 857,
+    'TH6': 858,
+    'THA3': 859,
+    'DTHA3': 860,
+    'TRX': 861,
+    'UN1': 862,
+    'VAH': 863,
+    'WFP': 864,
+    '2GX': 865,
+    '2MR': 866,
+    '5CT': 867,
+    '9R1': 868,
+    'ASL': 869,
+    'AZH': 870,
+    'CGUP': 871,
+    'CYQ': 872,
+    'DA2': 873,
+    'DBB': 874,
+    'DDEP': 875,
+    'DNP': 876,
+    'GPL': 877,
+    'IAS': 878,
+    'KHB': 879,
+    'LYX': 880,
+    'LYZ': 881,
+    'M3L': 882,
+    'MHSP': 883,
+    'MIR': 884,
+    'MLY': 885,
+    'NMM': 886,
+    'OCS': 887,
+    'OSE': 888,
+    'PHD': 889,
+    'PHDP': 890,
+    'PM3': 891,
+    'PR3': 892,
+    'PRK': 893,
+    'SBG': 894,
+    'SCH': 895,
+    'SCS': 896,
+    'SMC': 897,
+    'SVV': 898,
+    'TPQP': 899,
+    '4FB': 900,
+    '8LJ': 901,
+    'AYA': 902,
+    'B2H': 903,
+    'B3A': 904,
+    'B3E': 905,
+    'B3K': 906,
+    'B3S': 907,
+    'B3X': 908,
+    'B3Y': 909,
+    'CH6': 910,
+    'CR2': 911,
+    'CR8D': 912,
+    'CRF': 913,
+    'CRO': 914,
+    'CRQ': 915,
+    'CXM': 916,
+    'DYA': 917,
+    'DYG': 918,
+    'FGL': 919,
+    'FLA': 920,
+    'FME': 921,
+    'FP9': 922,
+    'GL3': 923,
+    'GYS': 924,
+    'HMR': 925,
+    'HT7': 926,
+    'HZP': 927,
+    'I4G': 928,
+    'MAA': 929,
+    'MDO': 930,
+    'MP8': 931,
+    'NRQ': 932,
+    'PIA': 933,
+    'PR4': 934,
+    'PRS': 935,
+    'PXU': 936,
+    'SUI': 937,
+    'SWG': 938,
+    'XYG': 939,
+    'SM014': 940,
+    'SM023': 941,
+    'SM032': 942,
+    'SM035': 943,
+    'SM056': 944,
+    'SM070': 945,
+    'SM071': 946,
+    'SM076': 947,
+    'SM078': 948,
+    'SM095': 949,
+    'SM114': 950,
+    'SM115': 951,
+    'SM119': 952,
+    'SM120': 953,
+    'SM136': 954,
+    'SM138': 955,
+    'SM140': 956,
+    'SM154': 957,
+    'SM155': 958,
+    'SM190': 959,
+    'SM191': 960,
+    'SM192': 961,
+    'SM195': 962,
+    'SM206': 963,
+    'SM209': 964,
+    'SM210': 965,
+    'SM222': 966,
+    'SM223': 967,
+    'SM226': 968,
+    'SM228': 969,
+    'SM229': 970,
+    'SM230': 971,
+    'SM231': 972,
+    'SM232': 973,
+    'SM235': 974,
+    'SM236': 975,
+    'PYRE': 976,
+    '3AP2': 977,
+    'PTR': 978,
+    'SEP': 979,
+    'TPO': 980,
+    'SAM': 981,
+    'CYPR': 982,
+    'CYTH': 983,
+    'N4EM': 984,
+    'XPN': 985,
+    'YPN': 986,
+    'GPN': 987,
+    'CPN': 988,
+    'TPN': 989,
+    'UPN': 990,
+    'APN': 991,
+    'E1XM': 992,
+    'E1XE': 993,
+    'E1X': 994,
+    'OMU': 995,
+    '2SU': 996,
+    'MSU': 997,
+    '4SU': 998,
+    '52U': 999,
+    '5MU': 1000,
+    '2MU': 1001,
+    'H2U': 1002,
+    'MDU': 1003,
+    '5HU': 1004,
+    'MOU': 1005,
+    '3MU': 1006,
+    'M3U': 1007,
+    'CYU': 1008,
+    'PSU': 1009,
+    'OMP': 1010,
+    '1MP': 1011,
+    '3MP': 1012,
+    'SAU': 1013,
+    '5AU': 1014,
+    'U8U': 1015,
+    'SEU': 1016,
+    '5DU': 1017,
+    'MAU': 1018,
+    'SCU': 1019,
+    'IAU': 1020,
+    'MIU': 1021,
+    'ISU': 1022,
+    '5CU': 1023,
+    'OCU': 1024,
+    'MEU': 1025,
+    '70U': 1026,
+    'BCU': 1027,
+    'MCU': 1028,
+    'HCU': 1029,
+    'CMU': 1030,
+    'OAU': 1031,
+    'OEU': 1032,
+    '3AU': 1033,
+    '13P': 1034,
+    '5TU': 1035,
+    'STU': 1036,
+    'GAU': 1037,
+    'GCU': 1038,
+    'OMC': 1039,
+    '2SC': 1040,
+    '5MC': 1041,
+    'MMC': 1042,
+    'HMC': 1043,
+    '5FC': 1044,
+    'MFC': 1045,
+    '4MC': 1046,
+    '4OC': 1047,
+    '4AC': 1048,
+    'MAC': 1049,
+    'TMC': 1050,
+    '3MC': 1051,
+    'K2C': 1052,
+    'R2C': 1053,
+    '1PC': 1054,
+    '3PC': 1055,
+    'OMA': 1056,
+    'RIA': 1057,
+    '6MA': 1058,
+    'MMA': 1059,
+    'M6A': 1060,
+    'MTA': 1061,
+    '2MA': 1062,
+    '8MA': 1063,
+    'INO': 1064,
+    'OMI': 1065,
+    '1MI': 1066,
+    'MMI': 1067,
+    'SMA': 1068,
+    '6AA': 1069,
+    '1MA': 1070,
+    'M2A': 1071,
+    '6IA': 1072,
+    'HIA': 1073,
+    'MIA': 1074,
+    'SIA': 1075,
+    'HNA': 1076,
+    '26A': 1077,
+    '66A': 1078,
+    'T6A': 1079,
+    '12A': 1080,
+    '6GA': 1081,
+    'OMG': 1082,
+    'RIG': 1083,
+    '1MG': 1084,
+    'M1G': 1085,
+    '2MG': 1086,
+    'MMG': 1087,
+    '7MG': 1088,
+    '27G': 1089,
+    'M7G': 1090,
+    'M2G': 1091,
+    'MTG': 1092,
+    'N2G': 1093,
+    'DCG': 1094,
+    'RCG': 1095,
+    'DAG': 1096,
+    'QUG': 1097,
+    'EQG': 1098,
+    'MQG': 1099,
+    'GQG': 1100,
+    'DWG': 1101,
+    'IMG': 1102,
+    'IWG': 1103,
+    'MWG': 1104,
+    'YYG': 1105,
+    'HWG': 1106,
+    'PBG': 1107,
+    'BMQG': 1108,
+    'BGQG': 1109,
+    'GMP': 1110,
+    'GDP': 1111,
+    'GTP': 1112,
+    'CMP': 1113,
+    'CDP': 1114,
+    'CTP': 1115,
+    'TMP': 1116,
+    'TDP': 1117,
+    'TTP': 1118,
+    'UMP': 1119,
+    'UDP': 1120,
+    'UTP': 1121,
+    'NAI': 1122,
+    'NAP': 1123,
+    'NDP': 1124,
+    'NAD1': 1125,
+    'PTS': 1126,
+    'ANE5GC': 1127,
+    'BNE5GC': 1128,
+    'AMANNA': 1129,
+    'BMANNA': 1130,
+    'AGULNA': 1131,
+    'BGULNA': 1132,
+    'AALTNA': 1133,
+    'BALTNA': 1134,
+    'ALGLNA': 1135,
+    'BLGLNA': 1136,
+    'ALMANA': 1137,
+    'BLMANA': 1138,
+    'ALGANA': 1139,
+    'BLGANA': 1140,
+    'ALGUNA': 1141,
+    'BLGUNA': 1142,
+    'ALALNA': 1143,
+    'BLALNA': 1144,
+    'ALTANA': 1145,
+    'BLTANA': 1146,
+    'ALIDNA': 1147,
+    'BLIDNA': 1148,
+    'AALLNA': 1149,
+    'BALLNA': 1150,
+    'ATALNA': 1151,
+    'BTALNA': 1152,
+    'AIDONA': 1153,
+    'BIDONA': 1154,
+    'AMANA': 1155,
+    'BMANA': 1156,
+    'AGULA': 1157,
+    'BGULA': 1158,
+    'AALTA': 1159,
+    'BALTA': 1160,
+    'AALLA': 1161,
+    'BALLA': 1162,
+    'ATALA': 1163,
+    'BTALA': 1164,
+    'ARHMNA': 1165,
+    'BRHMNA': 1166,
+    'AFUCNA': 1167,
+    'BFUCNA': 1168,
+    'ANEU': 1169,
+    'BNEU': 1170,
+    'ADHA': 1171,
+    'BDHA': 1172,
+    'ALGULA': 1173,
+    'BLGULA': 1174,
+    'ALALTA': 1175,
+    'BLALTA': 1176,
+    'AMU2AC': 1177,
+    'BMU2AC': 1178,
+    'AMU2GC': 1179,
+    'BMU2GC': 1180,
+    'BKDN': 1181,
+    'AKDN': 1182,
+    'QUITA': 1183,
+    'BGLGL': 1184,
+    'AQUINA': 1185,
+    'BQUINA': 1186,
+    'AGALAA': 1187,
+    'AGLAA': 1188,
+    'ALGLAA': 1189,
+    'BLEG': 1190,
+    'ALEG': 1191,
+    'A8LEG': 1192,
+    'B8LEG': 1193,
+    'APSE': 1194,
+    'BPSE': 1195,
+    'DGLYA': 1196,
+    'SAPI': 1197,
+    'SAPI13': 1198,
+    'SAPI14': 1199,
+    'SAPI15': 1200,
+    'SAPI24': 1201,
+    'SAPI25': 1202,
+    'SAPI2A': 1203,
+    'SAPI2B': 1204,
+    'SAPI2C': 1205,
+    'SAPI2D': 1206,
+    'SAPI33': 1207,
+    'SAPI34': 1208,
+    'SAPI35': 1209,
+    'DMPI': 1210,
+    'DMPI13': 1211,
+    'DMPI14': 1212,
+    'DMPI15': 1213,
+    'DMPI24': 1214,
+    'DMPI25': 1215,
+    'DMPI2A': 1216,
+    'DMPI2B': 1217,
+    'DMPI2C': 1218,
+    'DMPI2D': 1219,
+    'DMPI33': 1220,
+    'DMPI34': 1221,
+    'DMPI35': 1222,
+    'DLIPI': 1223,
+    'POPI': 1224,
+    'POPI13': 1225,
+    'POPI14': 1226,
+    'POPI15': 1227,
+    'POPI24': 1228,
+    'POPI25': 1229,
+    'POPI2A': 1230,
+    'POPI2B': 1231,
+    'POPI2D': 1232,
+    'POPI2C': 1233,
+    'POPI33': 1234,
+    'POPI34': 1235,
+    'POPI35': 1236,
+    'PNPI': 1237,
+    'PNPI13': 1238,
+    'PNPI14': 1239,
+    'PNPI15': 1240,
+    'PNPI24': 1241,
+    'PNPI25': 1242,
+    'PNPI2A': 1243,
+    'PNPI2B': 1244,
+    'PNPI2C': 1245,
+    'PNPI2D': 1246,
+    'PNPI33': 1247,
+    'PNPI34': 1248,
+    'PNPI35': 1249,
+    'PLPI': 1250,
+    'PLPI13': 1251,
+    'PLPI14': 1252,
+    'PLPI15': 1253,
+    'PLPI24': 1254,
+    'PLPI25': 1255,
+    'PLPI2A': 1256,
+    'PLPI2B': 1257,
+    'PLPI2C': 1258,
+    'PLPI2D': 1259,
+    'PLPI33': 1260,
+    'PLPI34': 1261,
+    'PLPI35': 1262,
+    'PYPI': 1263,
+    'PSM': 1264,
+    'SSM': 1265,
+    'OSM': 1266,
+    'ASM': 1267,
+    'BSM': 1268,
+    '23SM': 1269,
+    'LSM': 1270,
+    'NSM': 1271,
+    'CER2': 1272,
+    'CER160': 1273,
+    'CER180': 1274,
+    'CER181': 1275,
+    'CER200': 1276,
+    'CER220': 1277,
+    'CER240': 1278,
+    'CER241': 1279,
+    'CER3E': 1280,
+    'PYPE': 1281,
+    'YOPA': 1282,
+    'DYPC': 1283,
+    'YOPC': 1284,
+    'DYPE': 1285,
+    'YOPE': 1286,
+    'YOPS': 1287,
+    'C7DHPC': 1288,
+    'C6DHPC': 1289,
+    'LMPG': 1290,
+    'LPPG': 1291,
+    'LPC12': 1292,
+    'LPC14': 1293,
+    'MYR': 1294,
+    'PAL': 1295,
+    'STE': 1296,
+    'ARA': 1297,
+    'BEH': 1298,
+    'TRI': 1299,
+    'LIGN': 1300,
+    'MYRO': 1301,
+    'PALO': 1302,
+    'HTA': 1303,
+    'OLE': 1304,
+    'LIN': 1305,
+    'ALIN': 1306,
+    'SDA': 1307,
+    'GLA': 1308,
+    'EICO': 1309,
+    'EDA': 1310,
+    'MEA': 1311,
+    'DGLA': 1312,
+    'ETE': 1313,
+    'ETA': 1314,
+    'EPA': 1315,
+    'ARAN': 1316,
+    'HPA': 1317,
+    'ERU': 1318,
+    'DDA': 1319,
+    'ADR': 1320,
+    'DPT': 1321,
+    'DPA': 1322,
+    'DHA': 1323,
+    'NER': 1324,
+    'TTA': 1325,
+    'TPT': 1326,
+    'TPA': 1327,
+    'THA': 1328,
+    'MYRP': 1329,
+    'PALP': 1330,
+    'STEP': 1331,
+    'ARAP': 1332,
+    'BEHP': 1333,
+    'TRIP': 1334,
+    'LIGNP': 1335,
+    'MYROP': 1336,
+    'PALOP': 1337,
+    'HTAP': 1338,
+    'OLEP': 1339,
+    'LINP': 1340,
+    'ALINP': 1341,
+    'SDAP': 1342,
+    'GLAP': 1343,
+    'EICOP': 1344,
+    'EDAP': 1345,
+    'MEAP': 1346,
+    'DGLAP': 1347,
+    'ETEP': 1348,
+    'ETAP': 1349,
+    'EPAP': 1350,
+    'ARANP': 1351,
+    'HPAP': 1352,
+    'ERUP': 1353,
+    'DDAP': 1354,
+    'ADRP': 1355,
+    'DPTP': 1356,
+    'DPAP': 1357,
+    'DHAP': 1358,
+    'NERP': 1359,
+    'TTAP': 1360,
+    'TPTP': 1361,
+    'TPAP': 1362,
+    'THAP': 1363,
+    'THDPPC': 1364,
+    'CYSP': 1365,
+    'GLYM': 1366,
+    'LYSM': 1367,
+    'CYSL': 1368,
+    'ABLIPA': 1369,
+    'ABLIPB': 1370,
+    'BCLIPA': 1371,
+    'BCLIPB': 1372,
+    'BCLIPC': 1373,
+    'CJLIPA': 1374,
+    'CTLIPA': 1375,
+    'ECLIPA': 1376,
+    'ECLIPB': 1377,
+    'ECLIPC': 1378,
+    'HPLIPA': 1379,
+    'HPLIPB': 1380,
+    'KPLIPA': 1381,
+    'KPLIPB': 1382,
+    'KPLIPC': 1383,
+    'LILIPA': 1384,
+    'MCLIPA': 1385,
+    'NGLIPA': 1386,
+    'NGLIPB': 1387,
+    'NGLIPC': 1388,
+    'PALIPA': 1389,
+    'PALIPB': 1390,
+    'PALIPC': 1391,
+    'PALIPD': 1392,
+    'PALIPE': 1393,
+    'SFLIPA': 1394,
+    'SELIPA': 1395,
+    'SELIPB': 1396,
+    'SELIPC': 1397,
+    'VCLIPA': 1398,
+    'VCLIPB': 1399,
+    'VCLIPC': 1400,
+    'VCLIPD': 1401,
+    'VCLIPE': 1402,
+    'YPLIPA': 1403,
+    'YPLIPB': 1404,
+    'PVPG': 1405,
+    'PVPE': 1406,
+    'PPPE': 1407,
+    'PMPE': 1408,
+    'QMPE': 1409,
+    'OYPE': 1410,
+    'PYPG': 1411,
+    'IPPC': 1412,
+    'APPC': 1413,
+    'PHPC': 1414,
+    'PMPG': 1415,
+    'PVCL2': 1416,
+    'DPPGK': 1417,
+    'TOCL1': 1418,
+    'TOCL2': 1419,
+    'TMCL1': 1420,
+    'TMCL2': 1421,
+    'TLCL1': 1422,
+    'TLCL2': 1423,
+    'PMCL1': 1424,
+    'PMCL2': 1425,
+    'TYCL1': 1426,
+    'TYCL2': 1427,
+    'LOACL1': 1428,
+    'LOACL2': 1429,
+    'LOCCL1': 1430,
+    'LOCCL2': 1431,
+    'LNACL1': 1432,
+    'LNACL2': 1433,
+    'LNBCL1': 1434,
+    'LNBCL2': 1435,
+    'LNCCL1': 1436,
+    'LNCCL2': 1437,
+    'LNDCL1': 1438,
+    'LNDCL2': 1439,
+    'DDPC': 1440,
+    'DCPC': 1441,
+    'DXPC': 1442,
+    'DGPC': 1443,
+    'DEPC': 1444,
+    'DNPC': 1445,
+    'DXPE': 1446,
+    'DGPE': 1447,
+    'DEPE': 1448,
+    'DNPE': 1449,
+    'SAPE': 1450,
+    'SLPE': 1451,
+    'PLPE': 1452,
+    'SLPC': 1453,
+    'PLPC': 1454,
+    'DYPS': 1455,
+    'DGPS': 1456,
+    'DEPS': 1457,
+    'DNPS': 1458,
+    'SAPS': 1459,
+    'SLPS': 1460,
+    'PLPS': 1461,
+    'DYPA': 1462,
+    'DGPA': 1463,
+    'DEPA': 1464,
+    'DNPA': 1465,
+    'SAPA': 1466,
+    'SLPA': 1467,
+    'PLPA': 1468,
+    'DYPG': 1469,
+    'DGPG': 1470,
+    'DEPG': 1471,
+    'DNPG': 1472,
+    'SAPG': 1473,
+    'PLPG': 1474,
+    'SDPE': 1475,
+    'SOPE': 1476,
+    'DAPE': 1477,
+    'SDPS': 1478,
+    'SOPS': 1479,
+    'DAPS': 1480,
+    'SDPA': 1481,
+    'SOPA': 1482,
+    'DAPA': 1483,
+    'SDPG': 1484,
+    'SOPG': 1485,
+    'DAPG': 1486,
+    'DIPA': 1487,
+    'TIPA': 1488,
+    'DTPA': 1489,
+    'DUPC': 1490,
+    'DLIPC': 1491,
+    'DLIPE': 1492,
+    'LLPA': 1493,
+    'LLPC': 1494,
+    'LLPE': 1495,
+    'LLPS': 1496,
+    'TSPC': 1497,
+    'DDOPC': 1498,
+    'DDOPE': 1499,
+    'DDOPS': 1500,
+    'PDOPC': 1501,
+    'PDOPE': 1502,
+    'DOPP1': 1503,
+    'DOPP2': 1504,
+    'DOPP3': 1505,
+    'POPP1': 1506,
+    'POPP2': 1507,
+    'POPP3': 1508,
+}
+patch_order = {
+    'ACE': 0,
+    'ACED': 1,
+    'ACP': 2,
+    'ACPD': 3,
+    'CTER': 4,
+    'CNEU': 5,
+    'PCTE': 6,
+    'CT1': 7,
+    'CT2': 8,
+    'CT3': 9,
+    'HS2': 10,
+    'LIG1': 11,
+    'LINK': 12,
+    'SAHP': 13,
+    'GYCO': 14,
+    'AMGA': 15,
+    'GMGA': 16,
+    'DMGA': 17,
+    'AMGT': 18,
+    'ATGM': 19,
+    'ABGA': 20,
+    'GBGA': 21,
+    'DBGA': 22,
+    'ALME': 23,
+    'G4MPAB': 24,
+    'G4PAB': 25,
+    'G3PABR': 26,
+    'G3PABS': 27,
+    'BPAB': 28,
+    'BPAT': 29,
+    '3MSB': 30,
+    '2MRB': 31,
+    '2APP': 32,
+    '3APP': 33,
+    '4APP': 34,
+    '2APD': 35,
+    '3APD': 36,
+    '4APD': 37,
+    '2AFP': 38,
+    '3AFP': 39,
+    '4AFP': 40,
+    '2AFD': 41,
+    '3AFD': 42,
+    '4AFD': 43,
+    '4FBP': 44,
+    '3FBP': 45,
+    '2FBP': 46,
+    'FBIFR': 47,
+    'FBIFS': 48,
+    '3MRB': 49,
+    '2MSB': 50,
+    '3A2MPD': 51,
+    '3A2MPP': 52,
+    '3A4MPD': 53,
+    '3A5MPD': 54,
+    '3A6MPD': 55,
+    '4A2MPD': 56,
+    '4A2MPP': 57,
+    '3CPD': 58,
+    '3A46PD': 59,
+    '2AEPD': 60,
+    '2XBD': 61,
+    '3XBD': 62,
+    '4XBD': 63,
+    '4XEBD': 64,
+    '3XBP': 65,
+    'B5H6': 66,
+    'B5HE': 67,
+    'TAUR': 68,
+    'RN1': 69,
+    'RN2': 70,
+    'RN3': 71,
+    'KAC': 72,
+    'AMGY': 73,
+    'DMCT': 74,
+    'SAHC': 75,
+    'PSAM': 76,
+    '5MC1': 77,
+    'INO1': 78,
+    '4EG1': 79,
+    'CT': 80,
+    'CTN': 81,
+    'PACE': 82,
+    '5UHG': 83,
+    '5UHC': 84,
+    '5UHO': 85,
+    '5UHA': 86,
+    'CYTP': 87,
+    '3MCN': 88,
+    'ADEP': 89,
+    'ADEI': 90,
+    '1MAN': 91,
+    '6AH': 92,
+    'GENO': 93,
+    'BUGN': 94,
+    'PTSR': 95,
+    'PTSS': 96,
+    'PTSD': 97,
+    'P6EN': 98,
+    '2ANAM': 99,
+    '2BNAM': 100,
+    '3ANAM': 101,
+    '3BNAM': 102,
+    '5BNAM2': 103,
+    '1ANAC': 104,
+    '1BNAC': 105,
+    '2ANAC': 106,
+    '2BNAC': 107,
+    '3ANAC': 108,
+    '3BNAC': 109,
+    '4ANAC': 110,
+    '4BNAC': 111,
+    '9TNAC': 112,
+    '2BNFO': 113,
+    '3ANFO': 114,
+    '3BNFO': 115,
+    '7BNFO': 116,
+    '2ANSB': 117,
+    '2BNSB': 118,
+    '3BNRB': 119,
+    '5BNRB2': 120,
+    '5ANRB2': 121,
+    '7BNRB': 122,
+    '3BNSB': 123,
+    '4BNRB': 124,
+    '4ANRB': 125,
+    '4BNSB': 126,
+    '4BNASB': 127,
+    '4BDASB': 128,
+    '3BNANA': 129,
+    '3ANANA': 130,
+    '4BNANA': 131,
+    '4ANANA': 132,
+    '4BNSNA': 133,
+    '3BNSNA': 134,
+    '4ANTNA': 135,
+    '4BNTNA': 136,
+    '4ANGNA': 137,
+    '4BNGNA': 138,
+    '6TNG2': 139,
+    '6TNG': 140,
+    '7TNG': 141,
+    '2ANA': 142,
+    '2BNA': 143,
+    '6TCOO': 144,
+    '3BMDP': 145,
+    '6COOME': 146,
+    '1AGLYA': 147,
+    '1BGLYA': 148,
+    '1AOS': 149,
+    '1ANGF': 150,
+    '1BNGF': 151,
+    'LIPAN1': 152,
+    'LIPAN2': 153,
+    '4ANSDB': 154,
+    '4BNSDB': 155,
+    '4ANDHH': 156,
+    '4BNDHH': 157,
+    '4ANRHP': 158,
+    '4BNRHP': 159,
+    '4ANSHP': 160,
+    '4BNSHP': 161,
+    '3AALAF': 162,
+    '3BALAF': 163,
+    '3ANOPR': 164,
+}
+
+periodic_improper_types = {
+    ('CRN1', 'NRN2', 'NRN2', 'NRC4'): (1, 3.141592653589793, 711.28),
+    ('NRC4', 'NRN2', 'NRN2', 'CRN1'): (1, 3.141592653589793, 711.28),
+    ('NRN2', 'HRM2', 'HRM2', 'CRN1'): (1, 3.141592653589793, 167.36),
+    ('CRN1', 'HRM2', 'HRM2', 'NRN2'): (1, 3.141592653589793, 167.36),
+    ('CRN1', 'NRN2', 'NRC4', 'NRN1'): (1, 3.141592653589793, 711.28),
+    ('NRN1', 'NRC4', 'NRN2', 'CRN1'): (1, 3.141592653589793, 711.28),
+    ('NRN1', 'CR33', 'CRN1', 'HRM1'): (1, 3.141592653589793, 251.04000000000002),
+    ('HRM1', 'CRN1', 'CR33', 'NRN1'): (1, 3.141592653589793, 251.04000000000002),
+    ('CRN1', 'NRC4', 'NRN2', 'NRN1'): (1, 3.141592653589793, 711.28),
+    ('NRN1', 'NRN2', 'NRC4', 'CRN1'): (1, 3.141592653589793, 711.28),
+    ('NRN1', 'CT2', 'CRN1', 'HRM1'): (1, 3.141592653589793, 251.04000000000002),
+    ('HRM1', 'CRN1', 'CT2', 'NRN1'): (1, 3.141592653589793, 251.04000000000002),
+    ('NN2G', 'CN1', 'CN2', 'HN2'): (1, 3.141592653589793, 0.0),
+    ('HN2', 'CN2', 'CN1', 'NN2G'): (1, 3.141592653589793, 0.0),
+}
+harmonic_improper_types = {
+    ('HE2', 'HE2', 'CE2', 'CE2'): ((12.552, 0.0),),
+    ('CE2', 'CE2', 'HE2', 'HE2'): ((12.552, 0.0),),
+    ('HR1', 'NR1', 'NR2', 'CPH2'): ((2.092, 0.0),),
+    ('CPH2', 'NR2', 'NR1', 'HR1'): ((2.092, 0.0),),
+    ('HR1', 'NR2', 'NR1', 'CPH2'): ((2.092, 0.0),),
+    ('CPH2', 'NR1', 'NR2', 'HR1'): ((2.092, 0.0),),
+    ('HR3', 'CPH1', 'NR1', 'CPH1'): ((2.092, 0.0),),
+    ('CPH1', 'NR1', 'CPH1', 'HR3'): ((2.092, 0.0),),
+    ('HR3', 'CPH1', 'NR2', 'CPH1'): ((2.092, 0.0),),
+    ('CPH1', 'NR2', 'CPH1', 'HR3'): ((2.092, 0.0),),
+    ('HR3', 'CPH1', 'NR3', 'CPH1'): ((4.184, 0.0),),
+    ('CPH1', 'NR3', 'CPH1', 'HR3'): ((4.184, 0.0),),
+    ('HR3', 'NR1', 'CPH1', 'CPH1'): ((2.092, 0.0),),
+    ('CPH1', 'CPH1', 'NR1', 'HR3'): ((2.092, 0.0),),
+    ('HR3', 'NR2', 'CPH1', 'CPH1'): ((2.092, 0.0),),
+    ('CPH1', 'CPH1', 'NR2', 'HR3'): ((2.092, 0.0),),
+    ('N', 'C', 'CP1', 'CP3'): ((0.0, 0.0),),
+    ('CP3', 'CP1', 'C', 'N'): ((0.0, 0.0),),
+    ('NC2', None, None, 'C'): ((188.28, 0.0),),
+    ('C', None, None, 'NC2'): ((188.28, 0.0),),
+    ('C', 'HC', 'HC', 'NC2'): ((0.0, 0.0),),
+    ('NC2', 'HC', 'HC', 'C'): ((0.0, 0.0),),
+    ('NC2', None, None, 'HC'): ((-8.368, 0.0),),
+    ('HC', None, None, 'NC2'): ((-8.368, 0.0),),
+    ('NH1', None, None, 'H'): ((83.68, 0.0),),
+    ('H', None, None, 'NH1'): ((83.68, 0.0),),
+    ('NH2', None, None, 'H'): ((16.736, 0.0),),
+    ('H', None, None, 'NH2'): ((16.736, 0.0),),
+    ('NR1', 'CPH1', 'CPH2', 'H'): ((1.8828, 0.0),),
+    ('H', 'CPH2', 'CPH1', 'NR1'): ((1.8828, 0.0),),
+    ('NR1', 'CPH2', 'CPH1', 'H'): ((1.8828, 0.0),),
+    ('H', 'CPH1', 'CPH2', 'NR1'): ((1.8828, 0.0),),
+    ('NR3', 'CPH1', 'CPH2', 'H'): ((5.0208, 0.0),),
+    ('H', 'CPH2', 'CPH1', 'NR3'): ((5.0208, 0.0),),
+    ('NR3', 'CPH2', 'CPH1', 'H'): ((5.0208, 0.0),),
+    ('H', 'CPH1', 'CPH2', 'NR3'): ((5.0208, 0.0),),
+    ('O', 'CP1', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CP1', 'O'): ((188.28, 0.0),),
+    ('O', 'CT1', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CT1', 'O'): ((188.28, 0.0),),
+    ('O', 'CT2', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CT2', 'O'): ((188.28, 0.0),),
+    ('O', 'CT3', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CT3', 'O'): ((188.28, 0.0),),
+    ('O', 'HA1', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'HA1', 'O'): ((188.28, 0.0),),
+    ('O', 'N', 'CT2', 'CC'): ((502.08000000000004, 0.0),),
+    ('CC', 'CT2', 'N', 'O'): ((502.08000000000004, 0.0),),
+    ('O', 'NH2', 'CP1', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CP1', 'NH2', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'CT1', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CT1', 'NH2', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'CT2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CT2', 'NH2', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'CT3', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CT3', 'NH2', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'HA1', 'CC'): ((188.28, 0.0),),
+    ('CC', 'HA1', 'NH2', 'O'): ((188.28, 0.0),),
+    ('O', None, None, 'C'): ((502.08000000000004, 0.0),),
+    ('C', None, None, 'O'): ((502.08000000000004, 0.0),),
+    ('OB', None, None, 'CD'): ((418.40000000000003, 0.0),),
+    ('CD', None, None, 'OB'): ((418.40000000000003, 0.0),),
+    ('OC', None, None, 'CC'): ((401.664, 0.0),),
+    ('CC', None, None, 'OC'): ((401.664, 0.0),),
+    ('CC', None, None, 'CT1'): ((401.664, 0.0),),
+    ('CT1', None, None, 'CC'): ((401.664, 0.0),),
+    ('CC', None, None, 'CT2'): ((401.664, 0.0),),
+    ('CT2', None, None, 'CC'): ((401.664, 0.0),),
+    ('CC', None, None, 'CT3'): ((401.664, 0.0),),
+    ('CT3', None, None, 'CC'): ((401.664, 0.0),),
+    ('HN2', None, None, 'NN2'): ((4.184, 0.0),),
+    ('NN2', None, None, 'HN2'): ((4.184, 0.0),),
+    ('NN2B', 'CN4', 'CN5', 'HN2'): ((29.288, 0.0),),
+    ('HN2', 'CN5', 'CN4', 'NN2B'): ((29.288, 0.0),),
+    ('HN1', None, None, 'NN1'): ((16.736, 0.0),),
+    ('NN1', None, None, 'HN1'): ((16.736, 0.0),),
+    ('NN1', 'CN2', 'HN1', 'HN1'): ((25.104, 0.0),),
+    ('HN1', 'HN1', 'CN2', 'NN1'): ((25.104, 0.0),),
+    ('CN1', None, None, 'ON1'): ((376.56, 0.0),),
+    ('ON1', None, None, 'CN1'): ((376.56, 0.0),),
+    ('CN1T', None, None, 'ON1'): ((376.56, 0.0),),
+    ('ON1', None, None, 'CN1T'): ((376.56, 0.0),),
+    ('CN1', 'NN2G', 'CN5G', 'ON1'): ((376.56, 0.0),),
+    ('ON1', 'CN5G', 'NN2G', 'CN1'): ((376.56, 0.0),),
+    ('CN1T', 'NN2B', 'NN2U', 'ON1'): ((460.24, 0.0),),
+    ('ON1', 'NN2U', 'NN2B', 'CN1T'): ((460.24, 0.0),),
+    ('CN1', 'NN2U', 'CN3T', 'ON1'): ((376.56, 0.0),),
+    ('ON1', 'CN3T', 'NN2U', 'CN1'): ((376.56, 0.0),),
+    ('CN1', None, None, 'ON1C'): ((334.72, 0.0),),
+    ('ON1C', None, None, 'CN1'): ((334.72, 0.0),),
+    ('CN2', None, None, 'NN1'): ((376.56, 0.0),),
+    ('NN1', None, None, 'CN2'): ((376.56, 0.0),),
+    ('CN2', 'NN3G', 'NN2G', 'NN1'): ((167.36, 0.0),),
+    ('NN1', 'NN2G', 'NN3G', 'CN2'): ((167.36, 0.0),),
+    ('CN2', 'NN3A', 'CN5', 'NN1'): ((167.36, 0.0),),
+    ('NN1', 'CN5', 'NN3A', 'CN2'): ((167.36, 0.0),),
+    ('CN2', 'NN3', 'CN3', 'NN1'): ((251.04000000000002, 0.0),),
+    ('NN1', 'CN3', 'NN3', 'CN2'): ((251.04000000000002, 0.0),),
+    ('CN9', None, None, 'CN3T'): ((58.576, 0.0),),
+    ('CN3T', None, None, 'CN9'): ((58.576, 0.0),),
+    ('CC2O1', 'CC331', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),),
+    ('OC2D1', 'NC2D1', 'CC331', 'CC2O1'): ((502.08000000000004, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC3161', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC3161', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC3062', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC3062', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('CC2O2', 'CC311', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC311', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O2', 'CC301', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC301', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O2', 'CC3163', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC3163', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O2', 'CC3062', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC3062', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O2', 'CC321', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC321', 'CC2O2'): ((401.664, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC331', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC331', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC311', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC311', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('CC2O4', 'CC331', 'OC2D4', 'HCR1'): ((209.20000000000002, 0.0),),
+    ('HCR1', 'OC2D4', 'CC331', 'CC2O4'): ((209.20000000000002, 0.0),),
+    ('CC2O4', 'CC312', 'OC2D4', 'HCR1'): ((209.20000000000002, 0.0),),
+    ('HCR1', 'OC2D4', 'CC312', 'CC2O4'): ((209.20000000000002, 0.0),),
+    ('OC2D3', 'CC331', 'CC331', 'CC2O3'): ((292.88, 0.0),),
+    ('CC2O3', 'CC331', 'CC331', 'OC2D3'): ((292.88, 0.0),),
+    ('OC2D3', 'CC312', 'CC322', 'CC2O3'): ((292.88, 0.0),),
+    ('CC2O3', 'CC322', 'CC312', 'OC2D3'): ((292.88, 0.0),),
+    ('OBL', None, None, 'CL'): ((418.40000000000003, 0.0),),
+    ('CL', None, None, 'OBL'): ((418.40000000000003, 0.0),),
+    ('HEL2', 'HEL2', 'CEL2', 'CEL2'): ((12.552, 0.0),),
+    ('CEL2', 'CEL2', 'HEL2', 'HEL2'): ((12.552, 0.0),),
+    ('OCL', None, None, 'CL'): ((401.664, 0.0),),
+    ('CL', None, None, 'OCL'): ((401.664, 0.0),),
+    ('OCL', None, None, 'CCL'): ((401.664, 0.0),),
+    ('CCL', None, None, 'OCL'): ((401.664, 0.0),),
+    ('CG2D1', 'CG331', 'NG2D1', 'HGA4'): ((104.60000000000001, 0.0),),
+    ('HGA4', 'NG2D1', 'CG331', 'CG2D1'): ((104.60000000000001, 0.0),),
+    ('CG2D1', 'CG331', 'NG2P1', 'HGR52'): ((75.312, 0.0),),
+    ('HGR52', 'NG2P1', 'CG331', 'CG2D1'): ((75.312, 0.0),),
+    ('CG2D1O', 'CG2DC1', 'CG2O1', 'NG2S1'): ((118.41766, 0.0),),
+    ('NG2S1', 'CG2O1', 'CG2DC1', 'CG2D1O'): ((118.41766, 0.0),),
+    ('CG2D1O', 'CG331', 'NG2D1', 'SG311'): ((78.66966, 0.0),),
+    ('SG311', 'NG2D1', 'CG331', 'CG2D1O'): ((78.66966, 0.0),),
+    ('CG2D1O', 'CG2D1', 'NG301', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG301', 'CG2D1', 'CG2D1O'): ((221.752, 0.0),),
+    ('CG2D1O', 'CG2D1', 'NG311', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG311', 'CG2D1', 'CG2D1O'): ((221.752, 0.0),),
+    ('CG2D1O', 'CG2D2', 'NG321', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG321', 'CG2D2', 'CG2D1O'): ((221.752, 0.0),),
+    ('CG2D1O', 'CG2D2', 'OG301', 'HGA4'): ((96.232, 0.0),),
+    ('HGA4', 'OG301', 'CG2D2', 'CG2D1O'): ((96.232, 0.0),),
+    ('CG2D1O', 'CG2DC1', 'NG2D1', 'HGA4'): ((125.52000000000001, 0.0),),
+    ('HGA4', 'NG2D1', 'CG2DC1', 'CG2D1O'): ((125.52000000000001, 0.0),),
+    ('CG2D1O', 'CG2DC1', 'NG301', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG301', 'CG2DC1', 'CG2D1O'): ((221.752, 0.0),),
+    ('CG2D1O', 'CG2DC1', 'NG311', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG311', 'CG2DC1', 'CG2D1O'): ((221.752, 0.0),),
+    ('CG2D1O', 'CG2DC1', 'OG301', 'HGA4'): ((41.84, 0.0),),
+    ('HGA4', 'OG301', 'CG2DC1', 'CG2D1O'): ((41.84, 0.0),),
+    ('CG2D2O', 'CG2D1', 'NG301', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG301', 'CG2D1', 'CG2D2O'): ((221.752, 0.0),),
+    ('CG2D2O', 'CG2D1', 'NG311', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG311', 'CG2D1', 'CG2D2O'): ((221.752, 0.0),),
+    ('CG2D2O', 'CG2D2', 'NG321', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG321', 'CG2D2', 'CG2D2O'): ((221.752, 0.0),),
+    ('CG2D2O', 'CG2D2', 'OG301', 'HGA4'): ((96.232, 0.0),),
+    ('HGA4', 'OG301', 'CG2D2', 'CG2D2O'): ((96.232, 0.0),),
+    ('CG2D2O', 'CG2DC2', 'NG301', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG301', 'CG2DC2', 'CG2D2O'): ((221.752, 0.0),),
+    ('CG2D2O', 'CG2DC2', 'NG311', 'HGA4'): ((221.752, 0.0),),
+    ('HGA4', 'NG311', 'CG2DC2', 'CG2D2O'): ((221.752, 0.0),),
+    ('CG2D2O', 'CG2DC2', 'OG301', 'HGA4'): ((41.84, 0.0),),
+    ('HGA4', 'OG301', 'CG2DC2', 'CG2D2O'): ((41.84, 0.0),),
+    ('CG2DC1', 'CG2O3', 'CG331', 'NG2D1'): ((66.81806160000001, 0.0),),
+    ('NG2D1', 'CG331', 'CG2O3', 'CG2DC1'): ((66.81806160000001, 0.0),),
+    ('CG2DC1', 'CG2R53', 'CG321', 'NG2D1'): ((269.070948, 0.0),),
+    ('NG2D1', 'CG321', 'CG2R53', 'CG2DC1'): ((269.070948, 0.0),),
+    ('CG2DC1', 'CG2R53', 'CG331', 'NG2D1'): ((269.070948, 0.0),),
+    ('NG2D1', 'CG331', 'CG2R53', 'CG2DC1'): ((269.070948, 0.0),),
+    ('CG2DC1', 'CG321', 'CG331', 'NG2D1'): ((502.1138904, 0.0),),
+    ('NG2D1', 'CG331', 'CG321', 'CG2DC1'): ((502.1138904, 0.0),),
+    ('CG2DC1', 'CG331', 'CG331', 'NG2D1'): ((502.1138904, 0.0),),
+    ('NG2D1', 'CG331', 'CG331', 'CG2DC1'): ((502.1138904, 0.0),),
+    ('CG2DC1', 'CG2R61', 'NG2D1', 'HGA4'): ((125.52000000000001, 0.0),),
+    ('HGA4', 'NG2D1', 'CG2R61', 'CG2DC1'): ((125.52000000000001, 0.0),),
+    ('CG2DC1', 'CG2DC2', 'NG2P1', 'HGR52'): ((54.392, 0.0),),
+    ('HGR52', 'NG2P1', 'CG2DC2', 'CG2DC1'): ((54.392, 0.0),),
+    ('CG2DC2', 'CG2DC1', 'CG2O5', 'NG2D1'): ((4.184, 0.0),),
+    ('NG2D1', 'CG2O5', 'CG2DC1', 'CG2DC2'): ((4.184, 0.0),),
+    ('CG2DC2', 'CG2R61', 'NG2D1', 'HGA4'): ((125.52000000000001, 0.0),),
+    ('HGA4', 'NG2D1', 'CG2R61', 'CG2DC2'): ((125.52000000000001, 0.0),),
+    ('CG2DC2', 'CG2DC1', 'NG2P1', 'HGR52'): ((54.392, 0.0),),
+    ('HGR52', 'NG2P1', 'CG2DC1', 'CG2DC2'): ((54.392, 0.0),),
+    ('CG2N1', 'NG321', 'NG321', 'NG2D1'): ((355.64, 0.0),),
+    ('NG2D1', 'NG321', 'NG321', 'CG2N1'): ((355.64, 0.0),),
+    ('CG2N1', 'NG2P1', 'NG2P1', 'NG2P1'): ((167.36, 0.0),),
+    ('NG2P1', 'NG2P1', 'NG2P1', 'CG2N1'): ((167.36, 0.0),),
+    ('CG2N1', 'NG2D1', 'NG311', 'NG321'): ((355.64, 0.0),),
+    ('NG321', 'NG311', 'NG2D1', 'CG2N1'): ((355.64, 0.0),),
+    ('CG2N2', 'NG2P1', 'NG2P1', 'CG2R51'): ((108.784, 0.0),),
+    ('CG2R51', 'NG2P1', 'NG2P1', 'CG2N2'): ((108.784, 0.0),),
+    ('CG2N2', 'NG2P1', 'NG2P1', 'CG2R61'): ((125.52000000000001, 0.0),),
+    ('CG2R61', 'NG2P1', 'NG2P1', 'CG2N2'): ((125.52000000000001, 0.0),),
+    ('CG2N2', 'NG2P1', 'NG2P1', 'CG331'): ((125.52000000000001, 0.0),),
+    ('CG331', 'NG2P1', 'NG2P1', 'CG2N2'): ((125.52000000000001, 0.0),),
+    ('CG2N2', 'NG2D1', 'NG2D1', 'SG311'): ((125.52000000000001, 0.0),),
+    ('SG311', 'NG2D1', 'NG2D1', 'CG2N2'): ((125.52000000000001, 0.0),),
+    ('CG2N2', 'NG2D1', 'NG321', 'SG311'): ((133.888, 0.0),),
+    ('SG311', 'NG321', 'NG2D1', 'CG2N2'): ((133.888, 0.0),),
+    ('CG2O1', 'CG2D1O', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG2D1O', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2DC1', 'NG2D1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2D1', 'CG2DC1', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2DC1', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG2DC1', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2DC1', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG2DC1', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2DC2', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG2DC2', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2DC2', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG2DC2', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2R51', 'NG2S1', 'OG2D1'): ((292.88, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG2R51', 'CG2O1'): ((292.88, 0.0),),
+    ('CG2O1', 'CG2R61', 'NG2D1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2D1', 'CG2R61', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2R61', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG2R61', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2R61', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG2R61', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2R62', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG2R62', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG311', 'NG2D1', 'OG2D1'): ((184.10436800000002, 0.0),),
+    ('OG2D1', 'NG2D1', 'CG311', 'CG2O1'): ((184.10436800000002, 0.0),),
+    ('CG2O1', 'CG311', 'NG2S0', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S0', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG311', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG311', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG311', 'NG311', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG311', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG314', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG314', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'NG2S0', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S0', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG331', 'NG2D1', 'OG2D1'): ((237.0223448, 0.0),),
+    ('OG2D1', 'NG2D1', 'CG331', 'CG2O1'): ((237.0223448, 0.0),),
+    ('CG2O1', 'CG331', 'NG2S0', 'OG2D1'): ((297.064, 0.0),),
+    ('OG2D1', 'NG2S0', 'CG331', 'CG2O1'): ((297.064, 0.0),),
+    ('CG2O1', 'CG331', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG331', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG331', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG331', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C50', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG3C50', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C51', 'NG2S0', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S0', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C51', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C51', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C53', 'NG2S0', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S0', 'CG3C53', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C53', 'NG2S1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'CG3C53', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C53', 'NG2S2', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2S2', 'CG3C53', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'NG2S1', 'SG2D1'): ((277.7330832, 0.0),),
+    ('SG2D1', 'NG2S1', 'CG321', 'CG2O1'): ((277.7330832, 0.0),),
+    ('CG2O1', 'NG2S0', 'OG2D1', 'HGR52'): ((209.20000000000002, 0.0),),
+    ('HGR52', 'OG2D1', 'NG2S0', 'CG2O1'): ((209.20000000000002, 0.0),),
+    ('CG2O1', 'NG2S1', 'OG2D1', 'HGR52'): ((276.144, 0.0),),
+    ('HGR52', 'OG2D1', 'NG2S1', 'CG2O1'): ((276.144, 0.0),),
+    ('CG2O1', 'NG2S2', 'OG2D1', 'HGR52'): ((276.144, 0.0),),
+    ('HGR52', 'OG2D1', 'NG2S2', 'CG2O1'): ((276.144, 0.0),),
+    ('CG2O2', 'CG2R61', 'OG2D1', 'OG302'): ((301.248, 0.0),),
+    ('OG302', 'OG2D1', 'CG2R61', 'CG2O2'): ((301.248, 0.0),),
+    ('CG2O2', 'CG311', 'OG2D1', 'OG302'): ((259.408, 0.0),),
+    ('OG302', 'OG2D1', 'CG311', 'CG2O2'): ((259.408, 0.0),),
+    ('CG2O2', 'CG321', 'OG2D1', 'OG302'): ((259.408, 0.0),),
+    ('OG302', 'OG2D1', 'CG321', 'CG2O2'): ((259.408, 0.0),),
+    ('CG2O2', 'CG331', 'OG2D1', 'OG302'): ((259.408, 0.0),),
+    ('OG302', 'OG2D1', 'CG331', 'CG2O2'): ((259.408, 0.0),),
+    ('CG2O2', 'CG321', 'OG2D1', 'OG303'): ((259.408, 0.0),),
+    ('OG303', 'OG2D1', 'CG321', 'CG2O2'): ((259.408, 0.0),),
+    ('CG2O2', 'CG2DC1', 'OG2D1', 'OG311'): ((225.8744952, 0.0),),
+    ('OG311', 'OG2D1', 'CG2DC1', 'CG2O2'): ((225.8744952, 0.0),),
+    ('CG2O2', 'CG2R61', 'OG2D1', 'OG311'): ((221.752, 0.0),),
+    ('OG311', 'OG2D1', 'CG2R61', 'CG2O2'): ((221.752, 0.0),),
+    ('CG2O2', 'CG311', 'OG2D1', 'OG311'): ((271.96000000000004, 0.0),),
+    ('OG311', 'OG2D1', 'CG311', 'CG2O2'): ((271.96000000000004, 0.0),),
+    ('CG2O2', 'CG321', 'OG2D1', 'OG311'): ((271.96000000000004, 0.0),),
+    ('OG311', 'OG2D1', 'CG321', 'CG2O2'): ((271.96000000000004, 0.0),),
+    ('CG2O2', 'CG331', 'OG2D1', 'OG311'): ((271.96000000000004, 0.0),),
+    ('OG311', 'OG2D1', 'CG331', 'CG2O2'): ((271.96000000000004, 0.0),),
+    ('CG2O2', 'CG2R61', 'OG2D1', 'SG311'): ((258.9444128, 0.0),),
+    ('SG311', 'OG2D1', 'CG2R61', 'CG2O2'): ((258.9444128, 0.0),),
+    ('CG2O2', 'CG321', 'OG2D1', 'SG311'): ((277.3745144, 0.0),),
+    ('SG311', 'OG2D1', 'CG321', 'CG2O2'): ((277.3745144, 0.0),),
+    ('CG2O2', 'CG331', 'OG2D1', 'SG311'): ((204.02899440000002, 0.0),),
+    ('SG311', 'OG2D1', 'CG331', 'CG2O2'): ((204.02899440000002, 0.0),),
+    ('CG2O2', 'OG2D1', 'OG311', 'HGR52'): ((313.8, 0.0),),
+    ('HGR52', 'OG311', 'OG2D1', 'CG2O2'): ((313.8, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG2DC1'): ((401.664, 0.0),),
+    ('CG2DC1', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG2DC2'): ((401.664, 0.0),),
+    ('CG2DC2', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG2O5'): ((401.664, 0.0),),
+    ('CG2O5', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG2R61'): ((401.664, 0.0),),
+    ('CG2R61', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG301'): ((401.664, 0.0),),
+    ('CG301', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG311'): ((401.664, 0.0),),
+    ('CG311', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG314'): ((401.664, 0.0),),
+    ('CG314', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG321'): ((401.664, 0.0),),
+    ('CG321', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG322'): ((401.664, 0.0),),
+    ('CG322', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG324'): ((401.664, 0.0),),
+    ('CG324', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG331'): ((401.664, 0.0),),
+    ('CG331', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'NG2S1'): ((230.5145512, 0.0),),
+    ('NG2S1', 'OG2D2', 'OG2D2', 'CG2O3'): ((230.5145512, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'HGR52'): ((280.32800000000003, 0.0),),
+    ('HGR52', 'OG2D2', 'OG2D2', 'CG2O3'): ((280.32800000000003, 0.0),),
+    ('CG2O4', 'CG3C41', 'CG3C41', 'OG2D3'): ((83.68, 0.0),),
+    ('OG2D3', 'CG3C41', 'CG3C41', 'CG2O4'): ((83.68, 0.0),),
+    ('CG2O4', 'CG3C41', 'OG2D1', 'OG3C51'): ((251.04000000000002, 0.0),),
+    ('OG3C51', 'OG2D1', 'CG3C41', 'CG2O4'): ((251.04000000000002, 0.0),),
+    ('CG2O4', 'CG2DC1', 'OG2D1', 'HGR52'): ((58.576, 0.0),),
+    ('HGR52', 'OG2D1', 'CG2DC1', 'CG2O4'): ((58.576, 0.0),),
+    ('CG2O4', 'CG2DC2', 'OG2D1', 'HGR52'): ((58.576, 0.0),),
+    ('HGR52', 'OG2D1', 'CG2DC2', 'CG2O4'): ((58.576, 0.0),),
+    ('CG2O4', 'CG2R61', 'OG2D1', 'HGR52'): ((221.752, 0.0),),
+    ('HGR52', 'OG2D1', 'CG2R61', 'CG2O4'): ((221.752, 0.0),),
+    ('CG2O4', 'CG2R62', 'OG2D1', 'HGR52'): ((221.752, 0.0),),
+    ('HGR52', 'OG2D1', 'CG2R62', 'CG2O4'): ((221.752, 0.0),),
+    ('CG2O4', 'CG311', 'OG2D1', 'HGR52'): ((209.20000000000002, 0.0),),
+    ('HGR52', 'OG2D1', 'CG311', 'CG2O4'): ((209.20000000000002, 0.0),),
+    ('CG2O4', 'CG321', 'OG2D1', 'HGR52'): ((209.20000000000002, 0.0),),
+    ('HGR52', 'OG2D1', 'CG321', 'CG2O4'): ((209.20000000000002, 0.0),),
+    ('CG2O4', 'CG331', 'OG2D1', 'HGR52'): ((209.20000000000002, 0.0),),
+    ('HGR52', 'OG2D1', 'CG331', 'CG2O4'): ((209.20000000000002, 0.0),),
+    ('CG2O5', 'CG2D1O', 'CG2DC1', 'OG2D3'): ((207.1803832, 0.0),),
+    ('OG2D3', 'CG2DC1', 'CG2D1O', 'CG2O5'): ((207.1803832, 0.0),),
+    ('CG2O5', 'CG2DC1', 'CG2DC1', 'OG2D3'): ((170.93606480000003, 0.0),),
+    ('OG2D3', 'CG2DC1', 'CG2DC1', 'CG2O5'): ((170.93606480000003, 0.0),),
+    ('CG2O5', 'CG2DC1', 'CG2O5', 'OG2D3'): ((301.248, 0.0),),
+    ('OG2D3', 'CG2O5', 'CG2DC1', 'CG2O5'): ((301.248, 0.0),),
+    ('CG2O5', 'CG2DC1', 'CG331', 'OG2D3'): ((368.192, 0.0),),
+    ('OG2D3', 'CG331', 'CG2DC1', 'CG2O5'): ((368.192, 0.0),),
+    ('CG2O5', 'CG2DC2', 'CG2DC2', 'OG2D3'): ((365.5426912, 0.0),),
+    ('OG2D3', 'CG2DC2', 'CG2DC2', 'CG2O5'): ((365.5426912, 0.0),),
+    ('CG2O5', 'CG2DC2', 'CG2R51', 'OG2D3'): ((287.3115144, 0.0),),
+    ('OG2D3', 'CG2R51', 'CG2DC2', 'CG2O5'): ((287.3115144, 0.0),),
+    ('CG2O5', 'CG2DC2', 'CG331', 'OG2D3'): ((368.192, 0.0),),
+    ('OG2D3', 'CG331', 'CG2DC2', 'CG2O5'): ((368.192, 0.0),),
+    ('CG2O5', 'CG2O3', 'CG2R61', 'OG2D3'): ((301.248, 0.0),),
+    ('OG2D3', 'CG2R61', 'CG2O3', 'CG2O5'): ((301.248, 0.0),),
+    ('CG2O5', 'CG2O3', 'CG321', 'OG2D3'): ((368.192, 0.0),),
+    ('OG2D3', 'CG321', 'CG2O3', 'CG2O5'): ((368.192, 0.0),),
+    ('CG2O5', 'CG2O5', 'CG2R51', 'OG2D3'): ((301.248, 0.0),),
+    ('OG2D3', 'CG2R51', 'CG2O5', 'CG2O5'): ((301.248, 0.0),),
+    ('CG2O5', 'CG2R61', 'CG2R61', 'OG2D3'): ((389.27726800000005, 0.0),),
+    ('OG2D3', 'CG2R61', 'CG2R61', 'CG2O5'): ((389.27726800000005, 0.0),),
+    ('CG2O5', 'CG2R61', 'CG311', 'OG2D3'): ((301.248, 0.0),),
+    ('OG2D3', 'CG311', 'CG2R61', 'CG2O5'): ((301.248, 0.0),),
+    ('CG2O5', 'CG2R61', 'CG321', 'OG2D3'): ((301.248, 0.0),),
+    ('OG2D3', 'CG321', 'CG2R61', 'CG2O5'): ((301.248, 0.0),),
+    ('CG2O5', 'CG2R61', 'CG331', 'OG2D3'): ((251.04000000000002, 0.0),),
+    ('OG2D3', 'CG331', 'CG2R61', 'CG2O5'): ((251.04000000000002, 0.0),),
+    ('CG2O5', 'CG321', 'CG321', 'OG2D3'): ((292.88, 0.0),),
+    ('OG2D3', 'CG321', 'CG321', 'CG2O5'): ((292.88, 0.0),),
+    ('CG2O5', 'CG321', 'CG331', 'OG2D3'): ((292.88, 0.0),),
+    ('OG2D3', 'CG331', 'CG321', 'CG2O5'): ((292.88, 0.0),),
+    ('CG2O5', 'CG331', 'CG331', 'OG2D3'): ((292.88, 0.0),),
+    ('OG2D3', 'CG331', 'CG331', 'CG2O5'): ((292.88, 0.0),),
+    ('CG2O6', 'NG2D1', 'NG2S1', 'OG2D1'): ((410.03200000000004, 0.0),),
+    ('OG2D1', 'NG2S1', 'NG2D1', 'CG2O6'): ((410.03200000000004, 0.0),),
+    ('CG2O6', 'NG2R51', 'NG2S1', 'OG2D1'): ((251.04000000000002, 0.0),),
+    ('OG2D1', 'NG2S1', 'NG2R51', 'CG2O6'): ((251.04000000000002, 0.0),),
+    ('CG2O6', 'NG2S0', 'NG2S1', 'OG2D1'): ((361.916, 0.0),),
+    ('OG2D1', 'NG2S1', 'NG2S0', 'CG2O6'): ((361.916, 0.0),),
+    ('CG2O6', 'NG2S1', 'NG2S1', 'OG2D1'): ((334.72, 0.0),),
+    ('OG2D1', 'NG2S1', 'NG2S1', 'CG2O6'): ((334.72, 0.0),),
+    ('CG2O6', 'NG2S1', 'NG2S2', 'OG2D1'): ((334.72, 0.0),),
+    ('OG2D1', 'NG2S2', 'NG2S1', 'CG2O6'): ((334.72, 0.0),),
+    ('CG2O6', 'NG2S2', 'NG2S2', 'OG2D1'): ((334.72, 0.0),),
+    ('OG2D1', 'NG2S2', 'NG2S2', 'CG2O6'): ((334.72, 0.0),),
+    ('CG2O6', 'OG302', 'OG302', 'OG2D1'): ((606.6800000000001, 0.0),),
+    ('OG2D1', 'OG302', 'OG302', 'CG2O6'): ((606.6800000000001, 0.0),),
+    ('CG2O6', 'OG2D2', 'OG2D2', 'OG2D2'): ((447.68800000000005, 0.0),),
+    ('OG2D2', 'OG2D2', 'OG2D2', 'CG2O6'): ((447.68800000000005, 0.0),),
+    ('CG2O6', 'NG2S0', 'OG2D1', 'OG302'): ((259.408, 0.0),),
+    ('OG302', 'OG2D1', 'NG2S0', 'CG2O6'): ((259.408, 0.0),),
+    ('CG2O6', 'NG2S1', 'OG2D1', 'OG302'): ((259.408, 0.0),),
+    ('OG302', 'OG2D1', 'NG2S1', 'CG2O6'): ((259.408, 0.0),),
+    ('CG2O6', 'OG2D2', 'OG2D2', 'OG311'): ((355.64, 0.0),),
+    ('OG311', 'OG2D2', 'OG2D2', 'CG2O6'): ((355.64, 0.0),),
+    ('CG2O6', 'NG2S1', 'NG2S2', 'SG2D1'): ((348.0995952, 0.0),),
+    ('SG2D1', 'NG2S2', 'NG2S1', 'CG2O6'): ((348.0995952, 0.0),),
+    ('CG2O6', 'SG311', 'SG311', 'SG2D1'): ((334.72, 0.0),),
+    ('SG2D1', 'SG311', 'SG311', 'CG2O6'): ((334.72, 0.0),),
+    ('CG2O6', 'NG2S2', 'OG2D1', 'SG311'): ((189.4247424, 0.0),),
+    ('SG311', 'OG2D1', 'NG2S2', 'CG2O6'): ((189.4247424, 0.0),),
+    ('CG2R53', 'CG311', 'NG2R50', 'NG2R51'): ((4.184, 0.0),),
+    ('NG2R51', 'NG2R50', 'CG311', 'CG2R53'): ((4.184, 0.0),),
+    ('CG2R53', 'CG251O', 'NG2R51', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R51', 'CG251O', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG251O', 'NG2R53', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R53', 'CG251O', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG252O', 'NG2R53', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R53', 'CG252O', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG25C1', 'NG2R51', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R51', 'CG25C1', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG25C2', 'NG2R51', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R51', 'CG25C2', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG3C41', 'NG2R43', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NG2R43', 'CG3C41', 'CG2R53'): ((502.08000000000004, 0.0),),
+    ('CG2R53', 'CG3C50', 'NG2R53', 'OG2D1'): ((460.24, 0.0),),
+    ('OG2D1', 'NG2R53', 'CG3C50', 'CG2R53'): ((460.24, 0.0),),
+    ('CG2R53', 'CG3C51', 'NG2R53', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R53', 'CG3C51', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG3C52', 'NG2R53', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R53', 'CG3C52', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'NG2R53', 'NG2R53', 'OG2D1'): ((376.56, 0.0),),
+    ('OG2D1', 'NG2R53', 'NG2R53', 'CG2R53'): ((376.56, 0.0),),
+    ('CG2R53', 'CG2R51', 'OG2D1', 'OG3C51'): ((119.6624, 0.0),),
+    ('OG3C51', 'OG2D1', 'CG2R51', 'CG2R53'): ((119.6624, 0.0),),
+    ('CG2R53', 'CG3C52', 'OG2D1', 'OG3C51'): ((188.28, 0.0),),
+    ('OG3C51', 'OG2D1', 'CG3C52', 'CG2R53'): ((188.28, 0.0),),
+    ('CG2R53', 'NG2R53', 'OG2D1', 'SG311'): ((179.912, 0.0),),
+    ('SG311', 'OG2D1', 'NG2R53', 'CG2R53'): ((179.912, 0.0),),
+    ('CG2R53', 'NG2R53', 'SG2D1', 'SG311'): ((179.912, 0.0),),
+    ('SG311', 'SG2D1', 'NG2R53', 'CG2R53'): ((179.912, 0.0),),
+    ('CG2R62', 'CG2R62', 'NG2R62', 'OG311'): ((0.0, 0.0),),
+    ('OG311', 'NG2R62', 'CG2R62', 'CG2R62'): ((0.0, 0.0),),
+    ('CG2R63', 'CG2R62', 'CG2R62', 'OG2D4'): ((62.760000000000005, 0.0),),
+    ('OG2D4', 'CG2R62', 'CG2R62', 'CG2R63'): ((62.760000000000005, 0.0),),
+    ('CG2R63', 'CG2R62', 'NG2R61', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R61', 'CG2R62', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'CG2R62', 'NG2R62', 'OG2D4'): ((251.04000000000002, 0.0),),
+    ('OG2D4', 'NG2R62', 'CG2R62', 'CG2R63'): ((251.04000000000002, 0.0),),
+    ('CG2R63', 'CG2R62', 'NG2R67', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R67', 'CG2R62', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'CG2RC0', 'NG2R61', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R61', 'CG2RC0', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'CG2RC0', 'NG2RC0', 'OG2D4'): ((217.568, 0.0),),
+    ('OG2D4', 'NG2RC0', 'CG2RC0', 'CG2R63'): ((217.568, 0.0),),
+    ('CG2R63', 'NG2P1', 'NG2R61', 'OG2D4'): ((326.35200000000003, 0.0),),
+    ('OG2D4', 'NG2R61', 'NG2P1', 'CG2R63'): ((326.35200000000003, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R61', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R61', 'NG2R61', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R62', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R62', 'NG2R61', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R67', 'OG2D4'): ((376.56, 0.0),),
+    ('OG2D4', 'NG2R67', 'NG2R61', 'CG2R63'): ((376.56, 0.0),),
+    ('CG2R63', 'CG2R62', 'OG2D4', 'OG3R60'): ((213.38400000000001, 0.0),),
+    ('OG3R60', 'OG2D4', 'CG2R62', 'CG2R63'): ((213.38400000000001, 0.0),),
+    ('CG2R63', 'CG2R61', 'NG2R61', 'SG2D1'): ((129.704, 0.0),),
+    ('SG2D1', 'NG2R61', 'CG2R61', 'CG2R63'): ((129.704, 0.0),),
+    ('CG2R63', 'CG2R61', 'NG2R67', 'SG2D1'): ((163.17600000000002, 0.0),),
+    ('SG2D1', 'NG2R67', 'CG2R61', 'CG2R63'): ((163.17600000000002, 0.0),),
+    ('CG2R63', 'CG2R62', 'NG2R61', 'SG2D1'): ((163.17600000000002, 0.0),),
+    ('SG2D1', 'NG2R61', 'CG2R62', 'CG2R63'): ((163.17600000000002, 0.0),),
+    ('CG2R63', 'CG2R62', 'NG2R67', 'SG2D1'): ((163.17600000000002, 0.0),),
+    ('SG2D1', 'NG2R67', 'CG2R62', 'CG2R63'): ((163.17600000000002, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R61', 'SG2D1'): ((351.456, 0.0),),
+    ('SG2D1', 'NG2R61', 'NG2R61', 'CG2R63'): ((351.456, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R62', 'SG2D1'): ((242.672, 0.0),),
+    ('SG2D1', 'NG2R62', 'NG2R61', 'CG2R63'): ((242.672, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R67', 'SG2D1'): ((351.456, 0.0),),
+    ('SG2D1', 'NG2R67', 'NG2R61', 'CG2R63'): ((351.456, 0.0),),
+    ('CG2R63', 'NG2R61', 'NG2R61', 'SEGD1'): ((242.672, 0.0),),
+    ('SEGD1', 'NG2R61', 'NG2R61', 'CG2R63'): ((242.672, 0.0),),
+    ('CG2R64', 'NG2P1', 'NG2P1', 'CG2R61'): ((217.568, 0.0),),
+    ('CG2R61', 'NG2P1', 'NG2P1', 'CG2R64'): ((217.568, 0.0),),
+    ('CG2R64', 'NG2P1', 'NG2P1', 'CG2R62'): ((217.568, 0.0),),
+    ('CG2R62', 'NG2P1', 'NG2P1', 'CG2R64'): ((217.568, 0.0),),
+    ('CG2R64', 'NG2P1', 'NG2P1', 'CG2RC0'): ((217.568, 0.0),),
+    ('CG2RC0', 'NG2P1', 'NG2P1', 'CG2R64'): ((217.568, 0.0),),
+    ('CG2R64', 'CG2R61', 'NG2D1', 'NG2P1'): ((117.152, 0.0),),
+    ('NG2P1', 'NG2D1', 'CG2R61', 'CG2R64'): ((117.152, 0.0),),
+    ('CG2R64', 'NG2P1', 'NG2P1', 'NG2P1'): ((196.648, 0.0),),
+    ('NG2P1', 'NG2P1', 'NG2P1', 'CG2R64'): ((196.648, 0.0),),
+    ('CG2R64', 'HGP2', 'HGP2', 'NG2P1'): ((-4.184, 0.0),),
+    ('NG2P1', 'HGP2', 'HGP2', 'CG2R64'): ((-4.184, 0.0),),
+    ('CG2R64', 'CG2R62', 'NG2D1', 'NG2R61'): ((175.728, 0.0),),
+    ('NG2R61', 'NG2D1', 'CG2R62', 'CG2R64'): ((175.728, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2D1', 'NG2R61'): ((175.728, 0.0),),
+    ('NG2R61', 'NG2D1', 'CG2RC0', 'CG2R64'): ((175.728, 0.0),),
+    ('CG2R64', 'CG2R61', 'NG2D1', 'NG2R62'): ((175.728, 0.0),),
+    ('NG2R62', 'NG2D1', 'CG2R61', 'CG2R64'): ((175.728, 0.0),),
+    ('CG2R64', 'CG2R61', 'NG2P1', 'NG2R62'): ((175.728, 0.0),),
+    ('NG2R62', 'NG2P1', 'CG2R61', 'CG2R64'): ((175.728, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2R62', 'NG2S0'): ((92.048, 0.0),),
+    ('NG2S0', 'NG2R62', 'CG2RC0', 'CG2R64'): ((92.048, 0.0),),
+    ('CG2R64', 'CG2R61', 'NG2R60', 'NG2S1'): ((79.49600000000001, 0.0),),
+    ('NG2S1', 'NG2R60', 'CG2R61', 'CG2R64'): ((79.49600000000001, 0.0),),
+    ('CG2R64', 'CG2R62', 'NG2R62', 'NG2S1'): ((79.49600000000001, 0.0),),
+    ('NG2S1', 'NG2R62', 'CG2R62', 'CG2R64'): ((79.49600000000001, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2R62', 'NG2S1'): ((167.36, 0.0),),
+    ('NG2S1', 'NG2R62', 'CG2RC0', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'CG2R61', 'NG2R62', 'NG2S3'): ((251.04000000000002, 0.0),),
+    ('NG2S3', 'NG2R62', 'CG2R61', 'CG2R64'): ((251.04000000000002, 0.0),),
+    ('CG2R64', 'CG2R62', 'NG2R62', 'NG2S3'): ((251.04000000000002, 0.0),),
+    ('NG2S3', 'NG2R62', 'CG2R62', 'CG2R64'): ((251.04000000000002, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2R62', 'NG2S3'): ((167.36, 0.0),),
+    ('NG2S3', 'NG2R62', 'CG2RC0', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'NG2R61', 'NG2R62', 'NG2S3'): ((167.36, 0.0),),
+    ('NG2S3', 'NG2R62', 'NG2R61', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'NG2R62', 'NG2R62', 'NG2S3'): ((167.36, 0.0),),
+    ('NG2S3', 'NG2R62', 'NG2R62', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'CG2R62', 'NG2R62', 'NG301'): ((167.36, 0.0),),
+    ('NG301', 'NG2R62', 'CG2R62', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2R62', 'NG301'): ((167.36, 0.0),),
+    ('NG301', 'NG2R62', 'CG2RC0', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'NG2R61', 'NG2R62', 'NG301'): ((167.36, 0.0),),
+    ('NG301', 'NG2R62', 'NG2R61', 'CG2R64'): ((167.36, 0.0),),
+    ('CG2R64', 'CG2R62', 'NG2R62', 'NG311'): ((200.832, 0.0),),
+    ('NG311', 'NG2R62', 'CG2R62', 'CG2R64'): ((200.832, 0.0),),
+    ('CG2R64', 'CG2RC0', 'NG2R62', 'NG311'): ((209.20000000000002, 0.0),),
+    ('NG311', 'NG2R62', 'CG2RC0', 'CG2R64'): ((209.20000000000002, 0.0),),
+    ('CG2R64', 'NG2R61', 'NG2R62', 'NG311'): ((167.36, 0.0),),
+    ('NG311', 'NG2R62', 'NG2R61', 'CG2R64'): ((167.36, 0.0),),
+    ('NG2O1', 'OG2N1', 'OG2N1', 'CG324'): ((224.2624, 0.0),),
+    ('CG324', 'OG2N1', 'OG2N1', 'NG2O1'): ((224.2624, 0.0),),
+    ('NG2O1', 'OG2N1', 'OG2N1', 'CG334'): ((212.5472, 0.0),),
+    ('CG334', 'OG2N1', 'OG2N1', 'NG2O1'): ((212.5472, 0.0),),
+    ('NG2S3', 'HGP4', 'HGP4', 'CG2R61'): ((-10.46, 0.0),),
+    ('CG2R61', 'HGP4', 'HGP4', 'NG2S3'): ((-10.46, 0.0),),
+    ('NG2S3', 'HGP4', 'HGP4', 'CG2R64'): ((37.656, 0.0),),
+    ('CG2R64', 'HGP4', 'HGP4', 'NG2S3'): ((37.656, 0.0),),
+    ('CC', None, None, 'CTD1'): ((401.664, 0.0),),
+    ('CTD1', None, None, 'CC'): ((401.664, 0.0),),
+    ('O', 'CTD1', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CTD1', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'CTD1', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CTD1', 'NH2', 'O'): ((188.28, 0.0),),
+    ('N', 'C', 'CPD1', 'CP3'): ((0.0, 0.0),),
+    ('CP3', 'CPD1', 'C', 'N'): ((0.0, 0.0),),
+    ('O', 'CPD1', 'NH2', 'CC'): ((188.28, 0.0),),
+    ('CC', 'NH2', 'CPD1', 'O'): ((188.28, 0.0),),
+    ('O', 'NH2', 'CPD1', 'CC'): ((188.28, 0.0),),
+    ('CC', 'CPD1', 'NH2', 'O'): ((188.28, 0.0),),
+    ('CD', 'CC1A', 'O', 'HR1'): ((58.576, 0.0),),
+    ('HR1', 'O', 'CC1A', 'CD'): ((58.576, 0.0),),
+    ('CPB', 'CPA', 'NPH', 'CPA'): ((87.02720000000001, 0.0),),
+    ('CPA', 'NPH', 'CPA', 'CPB'): ((87.02720000000001, 0.0),),
+    ('CPB', None, None, 'CE1'): ((376.56, 0.0),),
+    ('CE1', None, None, 'CPB'): ((376.56, 0.0),),
+    ('CT2', None, None, 'CPB'): ((376.56, 0.0),),
+    ('CPB', None, None, 'CT2'): ((376.56, 0.0),),
+    ('CT3', None, None, 'CPB'): ((376.56, 0.0),),
+    ('CPB', None, None, 'CT3'): ((376.56, 0.0),),
+    ('HA', 'CPA', 'CPA', 'CPM'): ((123.00959999999999, 0.0),),
+    ('CPM', 'CPA', 'CPA', 'HA'): ((123.00959999999999, 0.0),),
+    ('NPH', 'CPA', 'CPA', 'FE'): ((574.8816, 0.0),),
+    ('FE', 'CPA', 'CPA', 'NPH'): ((574.8816, 0.0),),
+    ('NPH', 'CPA', 'CPB', 'CPB'): ((169.87040000000002, 0.0),),
+    ('CPB', 'CPB', 'CPA', 'NPH'): ((169.87040000000002, 0.0),),
+    ('NPH', 'CPA', 'CPM', 'CPA'): ((76.5672, 0.0),),
+    ('CPA', 'CPM', 'CPA', 'NPH'): ((76.5672, 0.0),),
+    ('NPH', 'CPM', 'CPB', 'CPA'): ((136.81680000000003, 0.0),),
+    ('CPA', 'CPB', 'CPM', 'NPH'): ((136.81680000000003, 0.0),),
+    ('CT3', 'CD', 'O', 'HR1'): ((117.152, 3.141592653589793),),
+    ('HR1', 'O', 'CD', 'CT3'): ((117.152, 3.141592653589793),),
+    ('CT2', 'CD', 'O', 'HR1'): ((117.152, 3.141592653589793),),
+    ('HR1', 'O', 'CD', 'CT2'): ((117.152, 3.141592653589793),),
+    ('CA', 'CD', 'O', 'HR1'): ((58.576, 3.141592653589793),),
+    ('HR1', 'O', 'CD', 'CA'): ((58.576, 3.141592653589793),),
+    ('CG2D1O', 'CG2D1O', 'NG311', 'HGA4'): ((-10.75288, 0.0),),
+    ('HGA4', 'NG311', 'CG2D1O', 'CG2D1O'): ((-10.75288, 0.0),),
+    ('CG2D1O', 'CG2D1O', 'NG2D1', 'HGA4'): ((57.57184, 0.0),),
+    ('HGA4', 'NG2D1', 'CG2D1O', 'CG2D1O'): ((57.57184, 0.0),),
+    ('CG2DC1', 'CG321', 'NG2D1', 'HGA4'): ((29.371679999999998, 0.0),),
+    ('HGA4', 'NG2D1', 'CG321', 'CG2DC1'): ((29.371679999999998, 0.0),),
+    ('CG2DC1', 'CG321', 'CG321', 'NG2D1'): ((502.08000000000004, 0.0),),
+    ('NG2D1', 'CG321', 'CG321', 'CG2DC1'): ((502.08000000000004, 0.0),),
+    ('CG2O5', 'CG2DC1', 'CG321', 'OG2D3'): ((368.192, 0.0),),
+    ('OG2D3', 'CG321', 'CG2DC1', 'CG2O5'): ((368.192, 0.0),),
+    ('CG2O5', 'CG2DC1', 'CG311', 'OG2D3'): ((368.192, 0.0),),
+    ('OG2D3', 'CG311', 'CG2DC1', 'CG2O5'): ((368.192, 0.0),),
+    ('CG2O3', 'OG2D2', 'OG2D2', 'CG3C51'): ((401.664, 0.0),),
+    ('CG3C51', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),),
+    ('CG2DC1', 'CG2O5', 'CG2R52', 'CG251O'): ((401.664, 0.0),),
+    ('CG251O', 'CG2R52', 'CG2O5', 'CG2DC1'): ((401.664, 0.0),),
+    ('CG251O', 'NG2D1', 'CG3C51', 'CG2R53'): ((368.192, 0.0),),
+    ('CG2R53', 'CG3C51', 'NG2D1', 'CG251O'): ((368.192, 0.0),),
+    ('CG2R52', 'NG2R50', 'CG3C50', 'CG321'): ((368.192, 0.0),),
+    ('CG321', 'CG3C50', 'NG2R50', 'CG2R52'): ((368.192, 0.0),),
+    ('CG2R52', 'NG2R50', 'CG3RC1', 'CG2DC1'): ((368.192, 0.0),),
+    ('CG2DC1', 'CG3RC1', 'NG2R50', 'CG2R52'): ((368.192, 0.0),),
+    ('CG2R52', 'NG2R50', 'CG3C51', 'CG2DC1'): ((368.192, 0.0),),
+    ('CG2DC1', 'CG3C51', 'NG2R50', 'CG2R52'): ((368.192, 0.0),),
+    ('NG2R50', 'CG2R52', 'CG3RC1', 'NI1P'): ((574.8816, 0.0),),
+    ('NI1P', 'CG3RC1', 'CG2R52', 'NG2R50'): ((574.8816, 0.0),),
+    ('NG2R50', 'CG3C51', 'CG2R52', 'NI1P'): ((574.8816, 0.0),),
+    ('NI1P', 'CG2R52', 'CG3C51', 'NG2R50'): ((574.8816, 0.0),),
+    ('NG2D1', 'CG251O', 'CG251O', 'NI1P'): ((574.8816, 0.0),),
+    ('NI1P', 'CG251O', 'CG251O', 'NG2D1'): ((574.8816, 0.0),),
+    ('C', 'CT3', 'N', 'O'): ((297.064, 0.0),),
+    ('O', 'N', 'CT3', 'C'): ((297.064, 0.0),),
+    ('CG2O1', 'CG321', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NH1', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2D1O', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NH1', 'CG2D1O', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C51', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NH1', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG311', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NH1', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C50', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'NH1', 'CG3C50', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'NH1', 'SG2D1'): ((277.7330832, 0.0),),
+    ('SG2D1', 'NH1', 'CG321', 'CG2O1'): ((277.7330832, 0.0),),
+    ('CG2O1', 'CG3C51', 'N', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'N', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('N', 'CG2O1', 'CP1', 'CP3'): ((0.0, 0.0),),
+    ('CP3', 'CP1', 'CG2O1', 'N'): ((0.0, 0.0),),
+    ('CG2O1', 'CG311', 'N', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'N', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'N', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'N', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG2D1O', 'N', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'N', 'CG2D1O', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG321', 'N', 'SG2D1'): ((502.08000000000004, 0.0),),
+    ('SG2D1', 'N', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('CG2O1', 'CG3C50', 'N', 'OG2D1'): ((502.08000000000004, 0.0),),
+    ('OG2D1', 'N', 'CG3C50', 'CG2O1'): ((502.08000000000004, 0.0),),
+    ('NG2S0', 'C', 'CG3C51', 'CG3C52'): ((0.0, 0.0),),
+    ('CG3C52', 'CG3C51', 'C', 'NG2S0'): ((0.0, 0.0),),
+    ('NG2S0', 'C', 'CG3C50', 'CG3C52'): ((0.0, 0.0),),
+    ('CG3C52', 'CG3C50', 'C', 'NG2S0'): ((0.0, 0.0),),
+    ('NG2S1', 'C', 'CG311', 'HGP1'): ((83.68, 0.0),),
+    ('HGP1', 'CG311', 'C', 'NG2S1'): ((83.68, 0.0),),
+    ('NG2S1', 'C', 'CG2D1O', 'HGP1'): ((83.68, 0.0),),
+    ('HGP1', 'CG2D1O', 'C', 'NG2S1'): ((83.68, 0.0),),
+    ('NG2S1', 'C', 'CG3C51', 'HGP1'): ((83.68, 0.0),),
+    ('HGP1', 'CG3C51', 'C', 'NG2S1'): ((83.68, 0.0),),
+    ('NG2S0', 'C', 'CG321', 'CG321'): ((0.0, 0.0),),
+    ('CG321', 'CG321', 'C', 'NG2S0'): ((0.0, 0.0),),
+    ('NG2S0', 'C', 'CG311', 'CG331'): ((0.0, 0.0),),
+    ('CG331', 'CG311', 'C', 'NG2S0'): ((0.0, 0.0),),
+    ('CAP', None, None, 'NH2'): ((41.84, 0.0),),
+    ('NH2', None, None, 'CAP'): ((41.84, 0.0),),
+    ('H', 'H', 'NH2', 'CAP'): ((7.9496, 3.141592653589793),),
+    ('CAP', 'NH2', 'H', 'H'): ((7.9496, 3.141592653589793),),
+    ('HP', None, None, 'CAP'): ((62.760000000000005, 0.0),),
+    ('CAP', None, None, 'HP'): ((62.760000000000005, 0.0),),
+    ('FA', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'FA'): ((7.9496, 0.0),),
+    ('CT3', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'CT3'): ((7.9496, 0.0),),
+    ('CT2', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'CT2'): ((7.9496, 0.0),),
+    ('CAP', 'CD', 'O', 'HR1'): ((58.576, 3.141592653589793),),
+    ('HR1', 'O', 'CD', 'CAP'): ((58.576, 3.141592653589793),),
+    ('COA', 'CAP', 'CT3', 'OCA'): ((125.52000000000001, 0.0),),
+    ('OCA', 'CT3', 'CAP', 'COA'): ((125.52000000000001, 0.0),),
+    ('COA', 'CAP', 'NH2', 'OCA'): ((125.52000000000001, 0.0),),
+    ('OCA', 'NH2', 'CAP', 'COA'): ((125.52000000000001, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'COA'): ((125.52000000000001, 0.0),),
+    ('COA', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'CA'): ((125.52000000000001, 0.0),),
+    ('CA', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),),
+    ('CAP', 'CAP', 'CAP', 'CN'): ((125.52000000000001, 0.0),),
+    ('CN', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),),
+    ('NR1', 'CPH1', 'CPH2', 'CN7B'): ((2.5104, 0.0),),
+    ('CN7B', 'CPH2', 'CPH1', 'NR1'): ((2.5104, 0.0),),
+    ('NR1', 'CPH2', 'CPH1', 'CN7B'): ((2.5104, 0.0),),
+    ('CN7B', 'CPH1', 'CPH2', 'NR1'): ((2.5104, 0.0),),
+    ('NN2G', 'CN4', 'CN1', 'HN2'): ((3.3472000000000004, 0.0),),
+    ('HN2', 'CN1', 'CN4', 'NN2G'): ((3.3472000000000004, 0.0),),
+    ('CN4', 'NN2G', 'NN3I', 'HN3'): ((163.17600000000002, 0.0),),
+    ('HN3', 'NN3I', 'NN2G', 'CN4'): ((163.17600000000002, 0.0),),
+    ('CN1', 'NN3G', 'CN5G', 'ON5'): ((230.12, 0.0),),
+    ('ON5', 'CN5G', 'NN3G', 'CN1'): ((230.12, 0.0),),
+    ('CN2', 'NN2C', 'CN3', 'NN1C'): ((376.56, 0.0),),
+    ('NN1C', 'CN3', 'NN2C', 'CN2'): ((376.56, 0.0),),
+    ('NNG', None, None, 'CNG'): ((167.36, 0.0),),
+    ('CNG', None, None, 'NNG'): ((167.36, 0.0),),
+    ('C', 'O', 'CT2', 'NH1'): ((502.08000000000004, 0.0),),
+    ('NH1', 'CT2', 'O', 'C'): ((502.08000000000004, 0.0),),
+    ('CC', 'O', 'CT2', 'N'): ((502.08000000000004, 0.0),),
+    ('N', 'CT2', 'O', 'CC'): ((502.08000000000004, 0.0),),
+    ('N', 'CT2', 'CT2', 'CC'): ((0.0, 0.0),),
+    ('CC', 'CT2', 'CT2', 'N'): ((0.0, 0.0),),
+    ('N', 'CT2', 'CT2P', 'CC'): ((0.0, 0.0),),
+    ('CC', 'CT2P', 'CT2', 'N'): ((0.0, 0.0),),
+    ('CN3', 'CN3C', 'CN8', 'HN6'): ((62.760000000000005, 0.0),),
+    ('HN6', 'CN8', 'CN3C', 'CN3'): ((62.760000000000005, 0.0),),
+    ('HN3B', None, None, 'CN3'): ((62.760000000000005, 0.0),),
+    ('CN3', None, None, 'HN3B'): ((62.760000000000005, 0.0),),
+    ('HN3B', None, None, 'CN3A'): ((54.392, 0.0),),
+    ('CN3A', None, None, 'HN3B'): ((54.392, 0.0),),
+    ('HN3B', None, None, 'CN3B'): ((54.392, 0.0),),
+    ('CN3B', None, None, 'HN3B'): ((54.392, 0.0),),
+    ('HN2', 'CN3', 'CN3B', 'NN2'): ((209.20000000000002, 0.0),),
+    ('NN2', 'CN3B', 'CN3', 'HN2'): ((209.20000000000002, 0.0),),
+    ('HN1', 'HN1', 'CN1A', 'NN1'): ((-20.92, 0.0),),
+    ('NN1', 'CN1A', 'HN1', 'HN1'): ((-20.92, 0.0),),
+    ('ON1', None, None, 'CN1A'): ((167.36, 0.0),),
+    ('CN1A', None, None, 'ON1'): ((167.36, 0.0),),
+    ('HN3', None, None, 'CN3C'): ((221.752, 0.0),),
+    ('CN3C', None, None, 'HN3'): ((221.752, 0.0),),
+    ('HN6', None, None, 'CN3C'): ((221.752, 0.0),),
+    ('CN3C', None, None, 'HN6'): ((221.752, 0.0),),
+    ('HN8', 'CN3', 'CN3', 'CN8'): ((75.312, 0.0),),
+    ('CN8', 'CN3', 'CN3', 'HN8'): ((75.312, 0.0),),
+    ('PX', 'OX1', 'OX1', 'ON2'): ((334.72, 0.0),),
+    ('ON2', 'OX1', 'OX1', 'PX'): ((334.72, 0.0),),
+    ('PX', 'OX1', 'SX', 'ON2'): ((334.72, 0.0),),
+    ('ON2', 'SX', 'OX1', 'PX'): ((334.72, 0.0),),
+    ('PX', 'SX', 'OX1', 'ON2'): ((334.72, 0.0),),
+    ('ON2', 'OX1', 'SX', 'PX'): ((334.72, 0.0),),
+    ('PX', 'SX', 'SX', 'ON2'): ((334.72, 0.0),),
+    ('ON2', 'SX', 'SX', 'PX'): ((334.72, 0.0),),
+    ('NN3A', 'CN2D', 'NN3A', 'CN2'): ((334.72, 0.0),),
+    ('CN2', 'NN3A', 'CN2D', 'NN3A'): ((334.72, 0.0),),
+    ('NN3A', 'CN2D', 'NN3A', 'CN5'): ((334.72, 0.0),),
+    ('CN5', 'NN3A', 'CN2D', 'NN3A'): ((334.72, 0.0),),
+    ('CN5', 'CN2', 'NN3A', 'CN2D'): ((334.72, 0.0),),
+    ('CN2D', 'NN3A', 'CN2', 'CN5'): ((334.72, 0.0),),
+    ('NG2S1', 'C', 'CG321', 'HGP1'): ((83.68, 0.0),),
+    ('HGP1', 'CG321', 'C', 'NG2S1'): ((83.68, 0.0),),
+    ('CC2O1', 'CT1', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),),
+    ('OC2D1', 'NC2D1', 'CT1', 'CC2O1'): ((502.08000000000004, 0.0),),
+    ('CC', 'OS', 'NH2', 'OB'): ((502.08000000000004, 0.0),),
+    ('OB', 'NH2', 'OS', 'CC'): ((502.08000000000004, 0.0),),
+    ('CC2O2', 'CC312', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC312', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O1', 'CT3', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),),
+    ('OC2D1', 'NC2D1', 'CT3', 'CC2O1'): ((502.08000000000004, 0.0),),
+    ('CC2O1', 'CC331', 'NC2D1', 'NC2'): ((188.28, 0.0),),
+    ('NC2', 'NC2D1', 'CC331', 'CC2O1'): ((188.28, 0.0),),
+    ('CC2O1', 'HCR1', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'HCR1', 'CC2O1'): ((188.28, 0.0),),
+    ('CC2O1', 'CT2', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'CT2', 'CC2O1'): ((188.28, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC3152', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC3152', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC322', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC322', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('CC2O2', 'CC3163', 'OC301', 'OC2D2'): ((259.408, 0.0),),
+    ('OC2D2', 'OC301', 'CC3163', 'CC2O2'): ((259.408, 0.0),),
+    ('CC2O2', 'CC3261', 'OC2D2', 'OC2D2'): ((401.664, 0.0),),
+    ('OC2D2', 'OC2D2', 'CC3261', 'CC2O2'): ((401.664, 0.0),),
+    ('CC2O1', 'CC312', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'CC312', 'CC2O1'): ((188.28, 0.0),),
+    ('CC2O1', 'CC322', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'CC322', 'CC2O1'): ((188.28, 0.0),),
+    ('CC2O1', 'CP1', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'CP1', 'CC2O1'): ((188.28, 0.0),),
+    ('CC', 'NH1', 'CP2', 'O'): ((376.56, 0.0),),
+    ('O', 'CP2', 'NH1', 'CC'): ((376.56, 0.0),),
+    ('NH1', None, None, 'HCA1'): ((83.68, 0.0),),
+    ('HCA1', None, None, 'NH1'): ((83.68, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC311D', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC311D', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('NC2D1', 'CC2O1', 'CC3162', 'HCP1'): ((83.68, 0.0),),
+    ('HCP1', 'CC3162', 'CC2O1', 'NC2D1'): ((83.68, 0.0),),
+    ('CC2O1', 'NC2D1', 'CC321', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'CC321', 'NC2D1', 'CC2O1'): ((188.28, 0.0),),
+    ('CC2O1', 'CC321', 'NC2D1', 'OC2D1'): ((188.28, 0.0),),
+    ('OC2D1', 'NC2D1', 'CC321', 'CC2O1'): ((188.28, 0.0),),
+    ('NHL', None, None, 'H'): ((83.68, 0.0),),
+    ('H', None, None, 'NHL'): ((83.68, 0.0),),
+    ('CL', None, None, 'CTL2'): ((401.664, 0.0),),
+    ('CTL2', None, None, 'CL'): ((401.664, 0.0),),
+    ('C', 'O', 'NH1', 'CTL2'): ((401.664, 0.0),),
+    ('CTL2', 'NH1', 'O', 'C'): ((401.664, 0.0),),
+    ('CC2O1', 'CTL2', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),),
+    ('OC2D1', 'NC2D1', 'CTL2', 'CC2O1'): ((502.08000000000004, 0.0),),
+    ('C', 'CT1', 'O', 'OSL'): ((259.408, 0.0),),
+    ('OSL', 'O', 'CT1', 'C'): ((259.408, 0.0),),
+    ('C', 'CTL2', 'O', 'OSL'): ((259.408, 0.0),),
+    ('OSL', 'O', 'CTL2', 'C'): ((259.408, 0.0),),
+    ('N1', 'HNT1', 'HNT1', 'CNT1'): ((145.6032, 0.0),),
+    ('CNT1', 'HNT1', 'HNT1', 'N1'): ((145.6032, 0.0),),
+}
 
-residue_order = {'ALA': 0, 'ARG': 1, 'ASN': 2, 'ASP': 3, 'CYS': 4, 'GLN': 5, 'GLU': 6, 'GLY': 7, 'HSD': 8, 'HSE': 9, 'HSP': 10, 'ILE': 11, 'LEU': 12, 'LYS': 13, 'MET': 14, 'PHE': 15, 'PRO': 16, 'SER': 17, 'THR': 18, 'TRP': 19, 'TYR': 20, 'VAL': 21, 'ALAD': 22, 'CYM': 23, 'GUA': 24, 'ADE': 25, 'CYT': 26, 'THY': 27, 'URA': 28, 'AGLCA': 29, 'BGLCA': 30, 'BGLCA0': 31, 'AIDOA': 32, 'BIDOA': 33, 'AGLCNA': 34, 'BGLCNA': 35, 'BGLCN0': 36, 'AGALNA': 37, 'BGALNA': 38, 'ANE5AC': 39, 'BNE5AC': 40, 'ALLOSE': 41, 'PSICOS': 42, 'LPPC': 43, 'DLPC': 44, 'DLPE': 45, 'DLPS': 46, 'DLPA': 47, 'DLPG': 48, 'DMPC': 49, 'DMPE': 50, 'DMPS': 51, 'DMPA': 52, 'DMPG': 53, 'DPPC': 54, 'DPPE': 55, 'DPPS': 56, 'DPPA': 57, 'DPPG': 58, 'DSPC': 59, 'DSPE': 60, 'DSPS': 61, 'DSPA': 62, 'DSPG': 63, 'DOPC': 64, 'DOPE': 65, 'DOPS': 66, 'DOPA': 67, 'DOPG': 68, 'POPC': 69, 'POPE': 70, 'POPS': 71, 'POPA': 72, 'POPG': 73, 'SAPC': 74, 'SDPC': 75, 'SOPC': 76, 'DAPC': 77, 'ACET': 78, 'PROA': 79, 'GUAN': 80, 'MGUA': 81, 'GLYN': 82, 'ACEH': 83, 'FORM': 84, 'ACEM': 85, 'PRAM': 86, 'NMA': 87, 'AANM': 88, 'APNH': 89, 'PDIP': 90, 'PNH2': 91, 'CO3': 92, 'AALD': 93, 'PALD': 94, 'CALD': 95, 'BALD': 96, '4AP2': 97, '3APY': 98, '34AP': 99, '3CPY': 100, '3FLP': 101, '3ALP': 102, '3HOP': 103, '3MEP': 104, '3ETP': 105, '3BPY': 106, '3CYP': 107, '3ACP': 108, '3NAP': 109, '3CAP': 110, '3PHP': 111, '3BNP': 112, 'MAS': 113, 'ETAC': 114, 'MPRO': 115, 'ACHO': 116, 'GLYC': 117, 'AAPM': 118, 'MBUT': 119, 'CSAD': 120, 'CSGU': 121, 'CSTH': 122, 'CSCY': 123, 'CNAD': 124, 'CNGU': 125, 'CNTH': 126, 'CNT1': 127, 'CNT2': 128, 'CNT3': 129, 'CNCY': 130, 'THFI': 131, 'THMI': 132, 'TADE': 133, 'TCYT': 134, 'TGUA': 135, 'TTHY': 136, 'TURA': 137, 'THAO': 138, 'NUSA': 139, 'NUSG': 140, 'NUSC': 141, 'NUST': 142, 'NUSU': 143, 'RNUS': 144, 'RNUA': 145, 'RNUG': 146, 'RNUC': 147, 'NUCL': 148, 'NADE': 149, 'NTHY': 150, 'NIC': 151, 'NICH': 152, 'AMP': 153, 'ADP': 154, 'ATP': 155, 'NAD': 156, 'NADH': 157, 'NADP': 158, 'NDPH': 159, 'MAM1': 160, 'SAH': 161, 'BF6': 162, 'BF7': 163, 'BCA': 164, 'C36': 165, 'C37': 166, 'C3C': 167, 'PRAL': 168, 'UREA': 169, 'MGU1': 170, 'MGU2': 171, 'HDZ1': 172, 'HDZ2': 173, 'CA': 174, 'DCA': 175, 'LCA': 176, 'CDCA': 177, 'UDCA': 178, 'GA': 179, 'BAB1': 180, 'FBIB': 181, '2PDO': 182, 'ACO': 183, 'IPAA': 184, 'AMOP': 185, '2MPA': 186, '2AMP': 187, '3AMP': 188, '2AMF': 189, 'GABD': 190, 'AMOL': 191, '9MAD': 192, '1MTH': 193, 'FORA': 194, 'BTON': 195, 'CHON': 196, 'DMTT': 197, 'DMCB': 198, 'DECB': 199, 'FORH': 200, 'DMA': 201, 'DMF': 202, 'MRDN': 203, 'MEOI': 204, 'OIRD': 205, 'BAB2': 206, 'DMCA': 207, 'DECA': 208, 'URAC': 209, '2PYO': 210, 'HDZ1B': 211, 'PHMK': 212, 'PHEK': 213, 'BEON': 214, 'AMDN': 215, 'BAMI': 216, 'PNTM': 217, 'MHYO': 218, 'OIHY': 219, 'MOET': 220, 'MOBU': 221, 'MTDO': 222, 'AMET': 223, 'NIME': 224, 'NIPR': 225, 'AZDO': 226, 'ZOIC': 227, 'MBOA': 228, 'YTHY': 229, 'RIN': 230, 'YTS2': 231, 'YT4S': 232, 'YT2S': 233, 'TC243C': 234, '4PYO': 235, '1PH4PO': 236, '21QU': 237, '1PH2PO': 238, '3PHURA': 239, 'URA2S': 240, '3PH2SR': 241, 'URA4S': 242, '3PH4SR': 243, 'URA24S': 244, '3PH24S': 245, '43HPY': 246, '43PPY': 247, '43HSPY': 248, '43HSPP': 249, '4O2SM': 250, 'NZAD': 251, 'NACT': 252, 'CO31': 253, 'GBL': 254, 'B2FO': 255, 'A2FO': 256, 'MT2A': 257, 'DH3T': 258, 'EEPI': 259, 'PYO2B': 260, 'PYO3B': 261, 'PYO2F': 262, 'PYO3F': 263, 'BTMC': 264, 'BM6A': 265, 'CBHH': 266, 'WEI1': 267, 'WEI2': 268, 'MSCH': 269, 'WEI3': 270, 'INCA': 271, 'TICA': 272, 'GTPG': 273, 'GTGN': 274, 'GTSS': 275, 'GTNS': 276, '2OXT': 277, '3OXT': 278, 'PRF': 279, 'B2SU': 280, 'B4SU': 281, 'B52U': 282, 'BH2U': 283, 'BMDU': 284, 'B5HU': 285, 'BMOU': 286, 'B3MU': 287, 'BCYU': 288, 'BPSU': 289, 'B1MP': 290, 'B3MP': 291, 'BSAU': 292, 'B5AU': 293, 'BU8U': 294, 'BSEU': 295, 'B5DU': 296, 'BSCU': 297, 'BIAU': 298, 'BISU': 299, 'B5CU': 300, 'BOCU': 301, 'B70U': 302, 'BBCU': 303, 'BHCU': 304, 'BCMU': 305, 'BOAU': 306, 'BOEU': 307, 'B3AU': 308, 'B13P': 309, 'B5TU': 310, 'BSTU': 311, 'BGAU': 312, 'BGCU': 313, 'B2SC': 314, 'B5MC': 315, 'BHMC': 316, 'B5FC': 317, 'B4MC': 318, 'B4AC': 319, 'B3MC': 320, 'B1PC': 321, 'B3PC': 322, 'B6MA': 323, 'B2MA': 324, 'B8MA': 325, 'BINO': 326, 'B1MI': 327, 'BSMA': 328, 'B6AA': 329, 'B1MA': 330, 'B6IA': 331, 'BHIA': 332, 'BMIA': 333, 'BSIA': 334, 'BHNA': 335, 'B26A': 336, 'B66A': 337, 'BT6A': 338, 'B12A': 339, 'B6GA': 340, 'B1MG': 341, 'B2MG': 342, 'B7MG': 343, 'B27G': 344, 'BDCG': 345, 'BRCG': 346, 'BDAG': 347, 'BQUG': 348, 'BEQG': 349, 'BDWG': 350, 'BIMG': 351, 'BIWG': 352, 'BMWG': 353, 'BYYG': 354, 'BHWG': 355, 'BPBG': 356, 'BBUG': 357, '7MIP': 358, 'M6PA': 359, 'MOAC': 360, '5FOP': 361, 'PESU': 362, 'CMBZ': 363, 'PRNC': 364, 'BZHA': 365, 'MOAT': 366, 'MOAE': 367, 'MPYU': 368, 'HPAT': 369, 'BZAC': 370, '3PRU': 371, 'PMMU': 372, 'BZAA': 373, '12MU': 374, 'HPME': 375, 'OEBZ': 376, 'ATBZ': 377, 'PYMU': 378, 'ACBZ': 379, 'NMGN': 380, 'NMCY': 381, 'MMMU': 382, 'NMGI': 383, 'MEBZ': 384, 'AMBA': 385, 'NCYP': 386, 'PNCP': 387, 'BK2C': 388, 'BR2C': 389, 'BM2G': 390, 'BN2G': 391, 'FLMO': 392, 'FLMR': 393, 'FLVO': 394, 'FLVR': 395, 'RFVO': 396, 'RFVR': 397, 'FMNO': 398, 'FMNR': 399, 'FAD': 400, 'FADR': 401, 'ABMB': 402, 'ABEB': 403, 'ABBM': 404, 'ABNB': 405, 'ABSB': 406, 'ASBB': 407, 'SM002': 408, 'SM005': 409, 'SM011': 410, 'SM013': 411, 'SM016': 412, 'SM018': 413, 'SM019': 414, 'SM021': 415, 'SM022': 416, 'SM025': 417, 'SM027': 418, 'SM030': 419, 'SM031': 420, 'SM038': 421, 'SM040': 422, 'SM041': 423, 'SM043': 424, 'SM044': 425, 'SM045': 426, 'SM046': 427, 'SM047': 428, 'SM049': 429, 'SM050': 430, 'SM051': 431, 'SM057': 432, 'SM058': 433, 'SM060': 434, 'SM061': 435, 'SM064': 436, 'SM068': 437, 'SM072': 438, 'SM075': 439, 'SM077': 440, 'SM084': 441, 'SM085': 442, 'SM086': 443, 'SM087': 444, 'SM088': 445, 'SM092': 446, 'SM098': 447, 'SM099': 448, 'SM100': 449, 'SM101': 450, 'SM102': 451, 'SM103': 452, 'SM106': 453, 'SM108': 454, 'SM109': 455, 'SM110': 456, 'SM111': 457, 'SM116': 458, 'SM117': 459, 'SM118': 460, 'SM127': 461, 'SM128': 462, 'SM132': 463, 'SM134': 464, 'SM135': 465, 'SM137': 466, 'SM143': 467, 'SM144': 468, 'SM169': 469, 'SM172': 470, 'SM173': 471, 'SM174': 472, 'SM176': 473, 'SM179': 474, 'SM180': 475, 'SM181': 476, 'SM185': 477, 'SM187': 478, 'SM189': 479, 'SM194': 480, 'SM199': 481, 'SM213': 482, 'SM214': 483, 'SM215': 484, 'SM216': 485, 'SM218': 486, 'SM221': 487, 'SM224': 488, 'SM227': 489, 'SM233': 490, 'SM234': 491, 'SM237': 492, 'SM238': 493, 'SM239': 494, 'SM240': 495, 'SM241': 496, 'SM242': 497, 'MGU3': 498, 'PGUN': 499, 'MGUN': 500, 'ALDD': 501, 'DALA': 502, 'DARG': 503, 'DASN': 504, 'DASP': 505, 'DCYS': 506, 'DGLN': 507, 'DGLU': 508, 'DGLY': 509, 'DHSD': 510, 'DHSE': 511, 'DHSP': 512, 'DILE': 513, 'DLEU': 514, 'DLYS': 515, 'DMET': 516, 'DPHE': 517, 'DPRO': 518, 'DSER': 519, 'DTHR': 520, 'DTRP': 521, 'DTYR': 522, 'DVAL': 523, 'LYR': 524, 'HEME': 525, 'LFN': 526, 'LFNR': 527, 'RBF': 528, 'RBFR': 529, 'FMN': 530, 'FOL': 531, 'FOLN1': 532, 'FOLDPR': 533, 'PTM6N3': 534, 'PTM6N1': 535, 'PTRN1': 536, 'PE0': 537, 'DPRPTR': 538, 'THG': 539, 'THGN1': 540, 'DHF': 541, 'DHFN1': 542, 'TPT358': 543, 'TPT158': 544, 'DPTN38': 545, 'DPTN18': 546, 'H4B': 547, 'H4BN1': 548, 'COB': 549, 'F430': 550, 'F43T': 551, 'F43A': 552, 'ALY': 553, 'DORN': 554, 'NLE': 555, 'AIBD': 556, 'AIB': 557, 'ASPM': 558, 'LEM': 559, 'LYM': 560, 'NMGLYD': 561, 'MGY': 562, 'HYP': 563, 'HIC': 564, 'HICP': 565, 'NAPH': 566, '143': 567, '0TD': 568, '2CO': 569, '4HH': 570, '5CS': 571, '6V1': 572, 'AGT': 573, 'ALS': 574, 'APK': 575, 'ASB': 576, 'BXT': 577, 'CGU': 578, 'CGV': 579, 'CME': 580, 'CML': 581, 'CSO': 582, 'CSS': 583, 'CSU': 584, 'CSX': 585, 'CYD': 586, 'CYF': 587, 'CYG': 588, 'CYQP': 589, 'DBZ': 590, 'DDE': 591, 'FHO': 592, 'FZN': 593, 'HIP': 594, 'HIX': 595, 'HTI': 596, 'IAM': 597, 'IT1': 598, 'IT1P': 599, 'JJJ': 600, 'KCR': 601, 'KCX': 602, 'KPI': 603, 'LA2': 604, 'LLP': 605, 'LLPP': 606, 'M0H': 607, 'MCL': 608, 'MCS': 609, 'MHS': 610, 'MLZ': 611, 'NEP': 612, 'PRV': 613, 'QCS': 614, 'QPA': 615, 'R1A': 616, 'SDP': 617, 'SEB': 618, 'SEN': 619, 'SGB': 620, 'SNC': 621, 'SUN': 622, 'SVX': 623, 'SVY': 624, 'TOX': 625, 'TPQ': 626, 'TQQ': 627, 'TRQ': 628, 'TRW': 629, 'TS9': 630, 'TYS': 631, 'XCN': 632, '0AF': 633, '26P': 634, '2FM': 635, '2HF': 636, '2HFD': 637, '2HFE': 638, '2NP': 639, '32T': 640, '3GL': 641, '4FW': 642, '4HT': 643, '4IN': 644, '6CL': 645, 'ACZ': 646, 'AGM': 647, 'AHB': 648, 'ARO': 649, 'AZDA': 650, 'DAZDA': 651, 'BB8': 652, 'BCS': 653, 'BHD': 654, 'BTH3': 655, 'DBTH3': 656, 'CAN': 657, 'CCS': 658, 'CIR': 659, 'CSA': 660, 'DDZ': 661, 'ESC': 662, 'F2F': 663, 'FGA4': 664, 'DFGA4': 665, 'FPH2': 666, 'DFPH2': 667, 'FT6': 668, 'FTR': 669, 'FUA2': 670, 'DFUA2': 671, 'FVAL': 672, 'DFVAL': 673, 'GDPR': 674, 'DGDPR': 675, 'GGB': 676, 'GGBP': 677, 'GHG': 678, 'HGA': 679, 'HOX': 680, 'HTR': 681, 'IGL': 682, 'KYN': 683, 'LE1': 684, 'LED': 685, 'LEF': 686, 'LME': 687, 'LVN': 688, 'M2S': 689, 'ME0': 690, 'NIY': 691, 'OBF': 692, 'OCY': 693, 'OMX': 694, 'PBF': 695, 'PF5': 696, 'PYR2': 697, 'DPYR2': 698, 'PYZ1': 699, 'DPYZ1': 700, 'QU32': 701, 'DQU32': 702, 'QX32': 703, 'DQX32': 704, 'STYA': 705, 'DSTYA': 706, 'TEZA': 707, 'DTEZA': 708, 'TFG2': 709, 'DTFG2': 710, 'TFG3': 711, 'DTFG3': 712, 'TFG4': 713, 'DTFG4': 714, 'TFLE': 715, 'DTFLE': 716, 'TFP2': 717, 'DTFP2': 718, 'TFP3': 719, 'DTFP3': 720, 'TFP4': 721, 'DTFP4': 722, 'THG2': 723, 'DTHG2': 724, 'THG3': 725, 'DTHG3': 726, 'THIC': 727, 'DTHIC': 728, 'TIH': 729, 'TRO': 730, 'TTQ': 731, 'TY2': 732, 'TYQ': 733, 'TZA4': 734, 'DTZA4': 735, 'YCM': 736, 'YOF': 737, '004': 738, '0A1': 739, '0BN': 740, '2AG': 741, '2AS': 742, '3CF': 743, '3FG': 744, '4CF': 745, '4CY': 746, '4HMP': 747, 'D4HMP': 748, '4PH': 749, 'AA4': 750, 'ABA': 751, 'AHP': 752, 'ALC': 753, 'ALN': 754, 'ALO': 755, 'ANTH': 756, 'DANTH': 757, 'APD': 758, 'APM': 759, 'AS2': 760, 'BIF': 761, 'BUG': 762, 'CHG': 763, 'CNP2': 764, 'DCNP2': 765, 'CPA3': 766, 'DCPA3': 767, 'D4P': 768, 'DAB': 769, 'DAH': 770, 'DIAL': 771, 'DDILE': 772, 'DIPH': 773, 'DDIPH': 774, 'DMK': 775, 'DMP3': 776, 'DDMP3': 777, 'DPP': 778, 'FPG2': 779, 'DFPG2': 780, 'FPG3': 781, 'DFPG3': 782, 'FPG4': 783, 'DFPG4': 784, 'FPH3': 785, 'DFPH3': 786, 'GBUT': 787, 'DGBUT': 788, 'GME': 789, 'HCS': 790, 'HHK': 791, 'HIL4': 792, 'DHIL4': 793, 'HL2': 794, 'HLEU': 795, 'DHLEU': 796, 'HLU': 797, 'HPE': 798, 'HQA': 799, 'HRG': 800, 'HRP': 801, 'HSER': 802, 'DHSER': 803, 'HVA': 804, 'I2M': 805, 'IIL': 806, 'ILX': 807, 'LDO': 808, 'LMQ': 809, 'LVG': 810, 'MEG': 811, 'MEN': 812, 'MEQ': 813, 'MHO': 814, 'MOT5': 815, 'DMOT5': 816, 'MP34': 817, 'DMP34': 818, 'MPH2': 819, 'DMPH2': 820, 'MTR5': 821, 'DMTR5': 822, 'MTR6': 823, 'DMTR6': 824, 'MTY': 825, 'NAL': 826, 'NAO1': 827, 'DNAO1': 828, 'NAO2': 829, 'DNAO2': 830, 'NVA': 831, 'OAS': 832, 'OLT': 833, 'OMT': 834, 'ONL': 835, 'ORN': 836, 'OTYR': 837, 'DOTYR': 838, 'PFF': 839, 'PPN': 840, 'PYR3': 841, 'DPYR3': 842, 'PYR4': 843, 'DPYR4': 844, 'QU33': 845, 'DQU33': 846, 'QU34': 847, 'DQU34': 848, 'QU35': 849, 'DQU35': 850, 'QU36': 851, 'DQU36': 852, 'SLZ': 853, 'SME': 854, 'SYM': 855, 'TBP4': 856, 'DTBP4': 857, 'TH6': 858, 'THA3': 859, 'DTHA3': 860, 'TRX': 861, 'UN1': 862, 'VAH': 863, 'WFP': 864, '2GX': 865, '2MR': 866, '5CT': 867, '9R1': 868, 'ASL': 869, 'AZH': 870, 'CGUP': 871, 'CYQ': 872, 'DA2': 873, 'DBB': 874, 'DDEP': 875, 'DNP': 876, 'GPL': 877, 'IAS': 878, 'KHB': 879, 'LYX': 880, 'LYZ': 881, 'M3L': 882, 'MHSP': 883, 'MIR': 884, 'MLY': 885, 'NMM': 886, 'OCS': 887, 'OSE': 888, 'PHD': 889, 'PHDP': 890, 'PM3': 891, 'PR3': 892, 'PRK': 893, 'SBG': 894, 'SCH': 895, 'SCS': 896, 'SMC': 897, 'SVV': 898, 'TPQP': 899, '4FB': 900, '8LJ': 901, 'AYA': 902, 'B2H': 903, 'B3A': 904, 'B3E': 905, 'B3K': 906, 'B3S': 907, 'B3X': 908, 'B3Y': 909, 'CH6': 910, 'CR2': 911, 'CR8D': 912, 'CRF': 913, 'CRO': 914, 'CRQ': 915, 'CXM': 916, 'DYA': 917, 'DYG': 918, 'FGL': 919, 'FLA': 920, 'FME': 921, 'FP9': 922, 'GL3': 923, 'GYS': 924, 'HMR': 925, 'HT7': 926, 'HZP': 927, 'I4G': 928, 'MAA': 929, 'MDO': 930, 'MP8': 931, 'NRQ': 932, 'PIA': 933, 'PR4': 934, 'PRS': 935, 'PXU': 936, 'SUI': 937, 'SWG': 938, 'XYG': 939, 'SM014': 940, 'SM023': 941, 'SM032': 942, 'SM035': 943, 'SM056': 944, 'SM070': 945, 'SM071': 946, 'SM076': 947, 'SM078': 948, 'SM095': 949, 'SM114': 950, 'SM115': 951, 'SM119': 952, 'SM120': 953, 'SM136': 954, 'SM138': 955, 'SM140': 956, 'SM154': 957, 'SM155': 958, 'SM190': 959, 'SM191': 960, 'SM192': 961, 'SM195': 962, 'SM206': 963, 'SM209': 964, 'SM210': 965, 'SM222': 966, 'SM223': 967, 'SM226': 968, 'SM228': 969, 'SM229': 970, 'SM230': 971, 'SM231': 972, 'SM232': 973, 'SM235': 974, 'SM236': 975, 'PYRE': 976, '3AP2': 977, 'PTR': 978, 'SEP': 979, 'TPO': 980, 'SAM': 981, 'CYPR': 982, 'CYTH': 983, 'N4EM': 984, 'XPN': 985, 'YPN': 986, 'GPN': 987, 'CPN': 988, 'TPN': 989, 'UPN': 990, 'APN': 991, 'E1XM': 992, 'E1XE': 993, 'E1X': 994, 'OMU': 995, '2SU': 996, 'MSU': 997, '4SU': 998, '52U': 999, '5MU': 1000, '2MU': 1001, 'H2U': 1002, 'MDU': 1003, '5HU': 1004, 'MOU': 1005, '3MU': 1006, 'M3U': 1007, 'CYU': 1008, 'PSU': 1009, 'OMP': 1010, '1MP': 1011, '3MP': 1012, 'SAU': 1013, '5AU': 1014, 'U8U': 1015, 'SEU': 1016, '5DU': 1017, 'MAU': 1018, 'SCU': 1019, 'IAU': 1020, 'MIU': 1021, 'ISU': 1022, '5CU': 1023, 'OCU': 1024, 'MEU': 1025, '70U': 1026, 'BCU': 1027, 'MCU': 1028, 'HCU': 1029, 'CMU': 1030, 'OAU': 1031, 'OEU': 1032, '3AU': 1033, '13P': 1034, '5TU': 1035, 'STU': 1036, 'GAU': 1037, 'GCU': 1038, 'OMC': 1039, '2SC': 1040, '5MC': 1041, 'MMC': 1042, 'HMC': 1043, '5FC': 1044, 'MFC': 1045, '4MC': 1046, '4OC': 1047, '4AC': 1048, 'MAC': 1049, 'TMC': 1050, '3MC': 1051, 'K2C': 1052, 'R2C': 1053, '1PC': 1054, '3PC': 1055, 'OMA': 1056, 'RIA': 1057, '6MA': 1058, 'MMA': 1059, 'M6A': 1060, 'MTA': 1061, '2MA': 1062, '8MA': 1063, 'INO': 1064, 'OMI': 1065, '1MI': 1066, 'MMI': 1067, 'SMA': 1068, '6AA': 1069, '1MA': 1070, 'M2A': 1071, '6IA': 1072, 'HIA': 1073, 'MIA': 1074, 'SIA': 1075, 'HNA': 1076, '26A': 1077, '66A': 1078, 'T6A': 1079, '12A': 1080, '6GA': 1081, 'OMG': 1082, 'RIG': 1083, '1MG': 1084, 'M1G': 1085, '2MG': 1086, 'MMG': 1087, '7MG': 1088, '27G': 1089, 'M7G': 1090, 'M2G': 1091, 'MTG': 1092, 'N2G': 1093, 'DCG': 1094, 'RCG': 1095, 'DAG': 1096, 'QUG': 1097, 'EQG': 1098, 'MQG': 1099, 'GQG': 1100, 'DWG': 1101, 'IMG': 1102, 'IWG': 1103, 'MWG': 1104, 'YYG': 1105, 'HWG': 1106, 'PBG': 1107, 'BMQG': 1108, 'BGQG': 1109, 'GMP': 1110, 'GDP': 1111, 'GTP': 1112, 'CMP': 1113, 'CDP': 1114, 'CTP': 1115, 'TMP': 1116, 'TDP': 1117, 'TTP': 1118, 'UMP': 1119, 'UDP': 1120, 'UTP': 1121, 'NAI': 1122, 'NAP': 1123, 'NDP': 1124, 'NAD1': 1125, 'PTS': 1126, 'ANE5GC': 1127, 'BNE5GC': 1128, 'AMANNA': 1129, 'BMANNA': 1130, 'AGULNA': 1131, 'BGULNA': 1132, 'AALTNA': 1133, 'BALTNA': 1134, 'ALGLNA': 1135, 'BLGLNA': 1136, 'ALMANA': 1137, 'BLMANA': 1138, 'ALGANA': 1139, 'BLGANA': 1140, 'ALGUNA': 1141, 'BLGUNA': 1142, 'ALALNA': 1143, 'BLALNA': 1144, 'ALTANA': 1145, 'BLTANA': 1146, 'ALIDNA': 1147, 'BLIDNA': 1148, 'AALLNA': 1149, 'BALLNA': 1150, 'ATALNA': 1151, 'BTALNA': 1152, 'AIDONA': 1153, 'BIDONA': 1154, 'AMANA': 1155, 'BMANA': 1156, 'AGULA': 1157, 'BGULA': 1158, 'AALTA': 1159, 'BALTA': 1160, 'AALLA': 1161, 'BALLA': 1162, 'ATALA': 1163, 'BTALA': 1164, 'ARHMNA': 1165, 'BRHMNA': 1166, 'AFUCNA': 1167, 'BFUCNA': 1168, 'ANEU': 1169, 'BNEU': 1170, 'ADHA': 1171, 'BDHA': 1172, 'ALGULA': 1173, 'BLGULA': 1174, 'ALALTA': 1175, 'BLALTA': 1176, 'AMU2AC': 1177, 'BMU2AC': 1178, 'AMU2GC': 1179, 'BMU2GC': 1180, 'BKDN': 1181, 'AKDN': 1182, 'QUITA': 1183, 'BGLGL': 1184, 'AQUINA': 1185, 'BQUINA': 1186, 'AGALAA': 1187, 'AGLAA': 1188, 'ALGLAA': 1189, 'BLEG': 1190, 'ALEG': 1191, 'A8LEG': 1192, 'B8LEG': 1193, 'APSE': 1194, 'BPSE': 1195, 'DGLYA': 1196, 'SAPI': 1197, 'SAPI13': 1198, 'SAPI14': 1199, 'SAPI15': 1200, 'SAPI24': 1201, 'SAPI25': 1202, 'SAPI2A': 1203, 'SAPI2B': 1204, 'SAPI2C': 1205, 'SAPI2D': 1206, 'SAPI33': 1207, 'SAPI34': 1208, 'SAPI35': 1209, 'DMPI': 1210, 'DMPI13': 1211, 'DMPI14': 1212, 'DMPI15': 1213, 'DMPI24': 1214, 'DMPI25': 1215, 'DMPI2A': 1216, 'DMPI2B': 1217, 'DMPI2C': 1218, 'DMPI2D': 1219, 'DMPI33': 1220, 'DMPI34': 1221, 'DMPI35': 1222, 'DLIPI': 1223, 'POPI': 1224, 'POPI13': 1225, 'POPI14': 1226, 'POPI15': 1227, 'POPI24': 1228, 'POPI25': 1229, 'POPI2A': 1230, 'POPI2B': 1231, 'POPI2D': 1232, 'POPI2C': 1233, 'POPI33': 1234, 'POPI34': 1235, 'POPI35': 1236, 'PNPI': 1237, 'PNPI13': 1238, 'PNPI14': 1239, 'PNPI15': 1240, 'PNPI24': 1241, 'PNPI25': 1242, 'PNPI2A': 1243, 'PNPI2B': 1244, 'PNPI2C': 1245, 'PNPI2D': 1246, 'PNPI33': 1247, 'PNPI34': 1248, 'PNPI35': 1249, 'PLPI': 1250, 'PLPI13': 1251, 'PLPI14': 1252, 'PLPI15': 1253, 'PLPI24': 1254, 'PLPI25': 1255, 'PLPI2A': 1256, 'PLPI2B': 1257, 'PLPI2C': 1258, 'PLPI2D': 1259, 'PLPI33': 1260, 'PLPI34': 1261, 'PLPI35': 1262, 'PYPI': 1263, 'PSM': 1264, 'SSM': 1265, 'OSM': 1266, 'ASM': 1267, 'BSM': 1268, '23SM': 1269, 'LSM': 1270, 'NSM': 1271, 'CER2': 1272, 'CER160': 1273, 'CER180': 1274, 'CER181': 1275, 'CER200': 1276, 'CER220': 1277, 'CER240': 1278, 'CER241': 1279, 'CER3E': 1280, 'PYPE': 1281, 'YOPA': 1282, 'DYPC': 1283, 'YOPC': 1284, 'DYPE': 1285, 'YOPE': 1286, 'YOPS': 1287, 'C7DHPC': 1288, 'C6DHPC': 1289, 'LMPG': 1290, 'LPPG': 1291, 'LPC12': 1292, 'LPC14': 1293, 'MYR': 1294, 'PAL': 1295, 'STE': 1296, 'ARA': 1297, 'BEH': 1298, 'TRI': 1299, 'LIGN': 1300, 'MYRO': 1301, 'PALO': 1302, 'HTA': 1303, 'OLE': 1304, 'LIN': 1305, 'ALIN': 1306, 'SDA': 1307, 'GLA': 1308, 'EICO': 1309, 'EDA': 1310, 'MEA': 1311, 'DGLA': 1312, 'ETE': 1313, 'ETA': 1314, 'EPA': 1315, 'ARAN': 1316, 'HPA': 1317, 'ERU': 1318, 'DDA': 1319, 'ADR': 1320, 'DPT': 1321, 'DPA': 1322, 'DHA': 1323, 'NER': 1324, 'TTA': 1325, 'TPT': 1326, 'TPA': 1327, 'THA': 1328, 'MYRP': 1329, 'PALP': 1330, 'STEP': 1331, 'ARAP': 1332, 'BEHP': 1333, 'TRIP': 1334, 'LIGNP': 1335, 'MYROP': 1336, 'PALOP': 1337, 'HTAP': 1338, 'OLEP': 1339, 'LINP': 1340, 'ALINP': 1341, 'SDAP': 1342, 'GLAP': 1343, 'EICOP': 1344, 'EDAP': 1345, 'MEAP': 1346, 'DGLAP': 1347, 'ETEP': 1348, 'ETAP': 1349, 'EPAP': 1350, 'ARANP': 1351, 'HPAP': 1352, 'ERUP': 1353, 'DDAP': 1354, 'ADRP': 1355, 'DPTP': 1356, 'DPAP': 1357, 'DHAP': 1358, 'NERP': 1359, 'TTAP': 1360, 'TPTP': 1361, 'TPAP': 1362, 'THAP': 1363, 'THDPPC': 1364, 'CYSP': 1365, 'GLYM': 1366, 'LYSM': 1367, 'CYSL': 1368, 'ABLIPA': 1369, 'ABLIPB': 1370, 'BCLIPA': 1371, 'BCLIPB': 1372, 'BCLIPC': 1373, 'CJLIPA': 1374, 'CTLIPA': 1375, 'ECLIPA': 1376, 'ECLIPB': 1377, 'ECLIPC': 1378, 'HPLIPA': 1379, 'HPLIPB': 1380, 'KPLIPA': 1381, 'KPLIPB': 1382, 'KPLIPC': 1383, 'LILIPA': 1384, 'MCLIPA': 1385, 'NGLIPA': 1386, 'NGLIPB': 1387, 'NGLIPC': 1388, 'PALIPA': 1389, 'PALIPB': 1390, 'PALIPC': 1391, 'PALIPD': 1392, 'PALIPE': 1393, 'SFLIPA': 1394, 'SELIPA': 1395, 'SELIPB': 1396, 'SELIPC': 1397, 'VCLIPA': 1398, 'VCLIPB': 1399, 'VCLIPC': 1400, 'VCLIPD': 1401, 'VCLIPE': 1402, 'YPLIPA': 1403, 'YPLIPB': 1404, 'PVPG': 1405, 'PVPE': 1406, 'PPPE': 1407, 'PMPE': 1408, 'QMPE': 1409, 'OYPE': 1410, 'PYPG': 1411, 'IPPC': 1412, 'APPC': 1413, 'PHPC': 1414, 'PMPG': 1415, 'PVCL2': 1416, 'DPPGK': 1417, 'TOCL1': 1418, 'TOCL2': 1419, 'TMCL1': 1420, 'TMCL2': 1421, 'TLCL1': 1422, 'TLCL2': 1423, 'PMCL1': 1424, 'PMCL2': 1425, 'TYCL1': 1426, 'TYCL2': 1427, 'LOACL1': 1428, 'LOACL2': 1429, 'LOCCL1': 1430, 'LOCCL2': 1431, 'LNACL1': 1432, 'LNACL2': 1433, 'LNBCL1': 1434, 'LNBCL2': 1435, 'LNCCL1': 1436, 'LNCCL2': 1437, 'LNDCL1': 1438, 'LNDCL2': 1439, 'DDPC': 1440, 'DCPC': 1441, 'DXPC': 1442, 'DGPC': 1443, 'DEPC': 1444, 'DNPC': 1445, 'DXPE': 1446, 'DGPE': 1447, 'DEPE': 1448, 'DNPE': 1449, 'SAPE': 1450, 'SLPE': 1451, 'PLPE': 1452, 'SLPC': 1453, 'PLPC': 1454, 'DYPS': 1455, 'DGPS': 1456, 'DEPS': 1457, 'DNPS': 1458, 'SAPS': 1459, 'SLPS': 1460, 'PLPS': 1461, 'DYPA': 1462, 'DGPA': 1463, 'DEPA': 1464, 'DNPA': 1465, 'SAPA': 1466, 'SLPA': 1467, 'PLPA': 1468, 'DYPG': 1469, 'DGPG': 1470, 'DEPG': 1471, 'DNPG': 1472, 'SAPG': 1473, 'PLPG': 1474, 'SDPE': 1475, 'SOPE': 1476, 'DAPE': 1477, 'SDPS': 1478, 'SOPS': 1479, 'DAPS': 1480, 'SDPA': 1481, 'SOPA': 1482, 'DAPA': 1483, 'SDPG': 1484, 'SOPG': 1485, 'DAPG': 1486, 'DIPA': 1487, 'TIPA': 1488, 'DTPA': 1489, 'DUPC': 1490, 'DLIPC': 1491, 'DLIPE': 1492, 'LLPA': 1493, 'LLPC': 1494, 'LLPE': 1495, 'LLPS': 1496, 'TSPC': 1497, 'DDOPC': 1498, 'DDOPE': 1499, 'DDOPS': 1500, 'PDOPC': 1501, 'PDOPE': 1502, 'DOPP1': 1503, 'DOPP2': 1504, 'DOPP3': 1505, 'POPP1': 1506, 'POPP2': 1507, 'POPP3': 1508}
-patch_order = {'ACE': 0, 'ACED': 1, 'ACP': 2, 'ACPD': 3, 'CTER': 4, 'CNEU': 5, 'PCTE': 6, 'CT1': 7, 'CT2': 8, 'CT3': 9, 'HS2': 10, 'LIG1': 11, 'LINK': 12, 'SAHP': 13, 'GYCO': 14, 'AMGA': 15, 'GMGA': 16, 'DMGA': 17, 'AMGT': 18, 'ATGM': 19, 'ABGA': 20, 'GBGA': 21, 'DBGA': 22, 'ALME': 23, 'G4MPAB': 24, 'G4PAB': 25, 'G3PABR': 26, 'G3PABS': 27, 'BPAB': 28, 'BPAT': 29, '3MSB': 30, '2MRB': 31, '2APP': 32, '3APP': 33, '4APP': 34, '2APD': 35, '3APD': 36, '4APD': 37, '2AFP': 38, '3AFP': 39, '4AFP': 40, '2AFD': 41, '3AFD': 42, '4AFD': 43, '4FBP': 44, '3FBP': 45, '2FBP': 46, 'FBIFR': 47, 'FBIFS': 48, '3MRB': 49, '2MSB': 50, '3A2MPD': 51, '3A2MPP': 52, '3A4MPD': 53, '3A5MPD': 54, '3A6MPD': 55, '4A2MPD': 56, '4A2MPP': 57, '3CPD': 58, '3A46PD': 59, '2AEPD': 60, '2XBD': 61, '3XBD': 62, '4XBD': 63, '4XEBD': 64, '3XBP': 65, 'B5H6': 66, 'B5HE': 67, 'TAUR': 68, 'RN1': 69, 'RN2': 70, 'RN3': 71, 'KAC': 72, 'AMGY': 73, 'DMCT': 74, 'SAHC': 75, 'PSAM': 76, '5MC1': 77, 'INO1': 78, '4EG1': 79, 'CT': 80, 'CTN': 81, 'PACE': 82, '5UHG': 83, '5UHC': 84, '5UHO': 85, '5UHA': 86, 'CYTP': 87, '3MCN': 88, 'ADEP': 89, 'ADEI': 90, '1MAN': 91, '6AH': 92, 'GENO': 93, 'BUGN': 94, 'PTSR': 95, 'PTSS': 96, 'PTSD': 97, 'P6EN': 98, '2ANAM': 99, '2BNAM': 100, '3ANAM': 101, '3BNAM': 102, '5BNAM2': 103, '1ANAC': 104, '1BNAC': 105, '2ANAC': 106, '2BNAC': 107, '3ANAC': 108, '3BNAC': 109, '4ANAC': 110, '4BNAC': 111, '9TNAC': 112, '2BNFO': 113, '3ANFO': 114, '3BNFO': 115, '7BNFO': 116, '2ANSB': 117, '2BNSB': 118, '3BNRB': 119, '5BNRB2': 120, '5ANRB2': 121, '7BNRB': 122, '3BNSB': 123, '4BNRB': 124, '4ANRB': 125, '4BNSB': 126, '4BNASB': 127, '4BDASB': 128, '3BNANA': 129, '3ANANA': 130, '4BNANA': 131, '4ANANA': 132, '4BNSNA': 133, '3BNSNA': 134, '4ANTNA': 135, '4BNTNA': 136, '4ANGNA': 137, '4BNGNA': 138, '6TNG2': 139, '6TNG': 140, '7TNG': 141, '2ANA': 142, '2BNA': 143, '6TCOO': 144, '3BMDP': 145, '6COOME': 146, '1AGLYA': 147, '1BGLYA': 148, '1AOS': 149, '1ANGF': 150, '1BNGF': 151, 'LIPAN1': 152, 'LIPAN2': 153, '4ANSDB': 154, '4BNSDB': 155, '4ANDHH': 156, '4BNDHH': 157, '4ANRHP': 158, '4BNRHP': 159, '4ANSHP': 160, '4BNSHP': 161, '3AALAF': 162, '3BALAF': 163, '3ANOPR': 164}
+def extract_atom_name(raw_atom_name, templates):
+    # Process Drude particles.
+    atom_name_prefix = ""
+    if raw_atom_name.startswith("Drude-"):
+        raw_atom_name = raw_atom_name[len("Drude-"):]
+        atom_name_prefix = "D"
 
-periodic_improper_types = {('CRN1', 'NRN2', 'NRN2', 'NRC4'): (1, 3.141592653589793, 711.28), ('NRC4', 'NRN2', 'NRN2', 'CRN1'): (1, 3.141592653589793, 711.28), ('NRN2', 'HRM2', 'HRM2', 'CRN1'): (1, 3.141592653589793, 167.36), ('CRN1', 'HRM2', 'HRM2', 'NRN2'): (1, 3.141592653589793, 167.36), ('CRN1', 'NRN2', 'NRC4', 'NRN1'): (1, 3.141592653589793, 711.28), ('NRN1', 'NRC4', 'NRN2', 'CRN1'): (1, 3.141592653589793, 711.28), ('NRN1', 'CR33', 'CRN1', 'HRM1'): (1, 3.141592653589793, 251.04000000000002), ('HRM1', 'CRN1', 'CR33', 'NRN1'): (1, 3.141592653589793, 251.04000000000002), ('CRN1', 'NRC4', 'NRN2', 'NRN1'): (1, 3.141592653589793, 711.28), ('NRN1', 'NRN2', 'NRC4', 'CRN1'): (1, 3.141592653589793, 711.28), ('NRN1', 'CT2', 'CRN1', 'HRM1'): (1, 3.141592653589793, 251.04000000000002), ('HRM1', 'CRN1', 'CT2', 'NRN1'): (1, 3.141592653589793, 251.04000000000002), ('NN2G', 'CN1', 'CN2', 'HN2'): (1, 3.141592653589793, 0.0), ('HN2', 'CN2', 'CN1', 'NN2G'): (1, 3.141592653589793, 0.0)}
-harmonic_improper_types = {('HE2', 'HE2', 'CE2', 'CE2'): ((12.552, 0.0),), ('CE2', 'CE2', 'HE2', 'HE2'): ((12.552, 0.0),), ('HR1', 'NR1', 'NR2', 'CPH2'): ((2.092, 0.0),), ('CPH2', 'NR2', 'NR1', 'HR1'): ((2.092, 0.0),), ('HR1', 'NR2', 'NR1', 'CPH2'): ((2.092, 0.0),), ('CPH2', 'NR1', 'NR2', 'HR1'): ((2.092, 0.0),), ('HR3', 'CPH1', 'NR1', 'CPH1'): ((2.092, 0.0),), ('CPH1', 'NR1', 'CPH1', 'HR3'): ((2.092, 0.0),), ('HR3', 'CPH1', 'NR2', 'CPH1'): ((2.092, 0.0),), ('CPH1', 'NR2', 'CPH1', 'HR3'): ((2.092, 0.0),), ('HR3', 'CPH1', 'NR3', 'CPH1'): ((4.184, 0.0),), ('CPH1', 'NR3', 'CPH1', 'HR3'): ((4.184, 0.0),), ('HR3', 'NR1', 'CPH1', 'CPH1'): ((2.092, 0.0),), ('CPH1', 'CPH1', 'NR1', 'HR3'): ((2.092, 0.0),), ('HR3', 'NR2', 'CPH1', 'CPH1'): ((2.092, 0.0),), ('CPH1', 'CPH1', 'NR2', 'HR3'): ((2.092, 0.0),), ('N', 'C', 'CP1', 'CP3'): ((0.0, 0.0),), ('CP3', 'CP1', 'C', 'N'): ((0.0, 0.0),), ('NC2', None, None, 'C'): ((188.28, 0.0),), ('C', None, None, 'NC2'): ((188.28, 0.0),), ('C', 'HC', 'HC', 'NC2'): ((0.0, 0.0),), ('NC2', 'HC', 'HC', 'C'): ((0.0, 0.0),), ('NC2', None, None, 'HC'): ((-8.368, 0.0),), ('HC', None, None, 'NC2'): ((-8.368, 0.0),), ('NH1', None, None, 'H'): ((83.68, 0.0),), ('H', None, None, 'NH1'): ((83.68, 0.0),), ('NH2', None, None, 'H'): ((16.736, 0.0),), ('H', None, None, 'NH2'): ((16.736, 0.0),), ('NR1', 'CPH1', 'CPH2', 'H'): ((1.8828, 0.0),), ('H', 'CPH2', 'CPH1', 'NR1'): ((1.8828, 0.0),), ('NR1', 'CPH2', 'CPH1', 'H'): ((1.8828, 0.0),), ('H', 'CPH1', 'CPH2', 'NR1'): ((1.8828, 0.0),), ('NR3', 'CPH1', 'CPH2', 'H'): ((5.0208, 0.0),), ('H', 'CPH2', 'CPH1', 'NR3'): ((5.0208, 0.0),), ('NR3', 'CPH2', 'CPH1', 'H'): ((5.0208, 0.0),), ('H', 'CPH1', 'CPH2', 'NR3'): ((5.0208, 0.0),), ('O', 'CP1', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CP1', 'O'): ((188.28, 0.0),), ('O', 'CT1', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CT1', 'O'): ((188.28, 0.0),), ('O', 'CT2', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CT2', 'O'): ((188.28, 0.0),), ('O', 'CT3', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CT3', 'O'): ((188.28, 0.0),), ('O', 'HA1', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'HA1', 'O'): ((188.28, 0.0),), ('O', 'N', 'CT2', 'CC'): ((502.08000000000004, 0.0),), ('CC', 'CT2', 'N', 'O'): ((502.08000000000004, 0.0),), ('O', 'NH2', 'CP1', 'CC'): ((188.28, 0.0),), ('CC', 'CP1', 'NH2', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'CT1', 'CC'): ((188.28, 0.0),), ('CC', 'CT1', 'NH2', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'CT2', 'CC'): ((188.28, 0.0),), ('CC', 'CT2', 'NH2', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'CT3', 'CC'): ((188.28, 0.0),), ('CC', 'CT3', 'NH2', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'HA1', 'CC'): ((188.28, 0.0),), ('CC', 'HA1', 'NH2', 'O'): ((188.28, 0.0),), ('O', None, None, 'C'): ((502.08000000000004, 0.0),), ('C', None, None, 'O'): ((502.08000000000004, 0.0),), ('OB', None, None, 'CD'): ((418.40000000000003, 0.0),), ('CD', None, None, 'OB'): ((418.40000000000003, 0.0),), ('OC', None, None, 'CC'): ((401.664, 0.0),), ('CC', None, None, 'OC'): ((401.664, 0.0),), ('CC', None, None, 'CT1'): ((401.664, 0.0),), ('CT1', None, None, 'CC'): ((401.664, 0.0),), ('CC', None, None, 'CT2'): ((401.664, 0.0),), ('CT2', None, None, 'CC'): ((401.664, 0.0),), ('CC', None, None, 'CT3'): ((401.664, 0.0),), ('CT3', None, None, 'CC'): ((401.664, 0.0),), ('HN2', None, None, 'NN2'): ((4.184, 0.0),), ('NN2', None, None, 'HN2'): ((4.184, 0.0),), ('NN2B', 'CN4', 'CN5', 'HN2'): ((29.288, 0.0),), ('HN2', 'CN5', 'CN4', 'NN2B'): ((29.288, 0.0),), ('HN1', None, None, 'NN1'): ((16.736, 0.0),), ('NN1', None, None, 'HN1'): ((16.736, 0.0),), ('NN1', 'CN2', 'HN1', 'HN1'): ((25.104, 0.0),), ('HN1', 'HN1', 'CN2', 'NN1'): ((25.104, 0.0),), ('CN1', None, None, 'ON1'): ((376.56, 0.0),), ('ON1', None, None, 'CN1'): ((376.56, 0.0),), ('CN1T', None, None, 'ON1'): ((376.56, 0.0),), ('ON1', None, None, 'CN1T'): ((376.56, 0.0),), ('CN1', 'NN2G', 'CN5G', 'ON1'): ((376.56, 0.0),), ('ON1', 'CN5G', 'NN2G', 'CN1'): ((376.56, 0.0),), ('CN1T', 'NN2B', 'NN2U', 'ON1'): ((460.24, 0.0),), ('ON1', 'NN2U', 'NN2B', 'CN1T'): ((460.24, 0.0),), ('CN1', 'NN2U', 'CN3T', 'ON1'): ((376.56, 0.0),), ('ON1', 'CN3T', 'NN2U', 'CN1'): ((376.56, 0.0),), ('CN1', None, None, 'ON1C'): ((334.72, 0.0),), ('ON1C', None, None, 'CN1'): ((334.72, 0.0),), ('CN2', None, None, 'NN1'): ((376.56, 0.0),), ('NN1', None, None, 'CN2'): ((376.56, 0.0),), ('CN2', 'NN3G', 'NN2G', 'NN1'): ((167.36, 0.0),), ('NN1', 'NN2G', 'NN3G', 'CN2'): ((167.36, 0.0),), ('CN2', 'NN3A', 'CN5', 'NN1'): ((167.36, 0.0),), ('NN1', 'CN5', 'NN3A', 'CN2'): ((167.36, 0.0),), ('CN2', 'NN3', 'CN3', 'NN1'): ((251.04000000000002, 0.0),), ('NN1', 'CN3', 'NN3', 'CN2'): ((251.04000000000002, 0.0),), ('CN9', None, None, 'CN3T'): ((58.576, 0.0),), ('CN3T', None, None, 'CN9'): ((58.576, 0.0),), ('CC2O1', 'CC331', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),), ('OC2D1', 'NC2D1', 'CC331', 'CC2O1'): ((502.08000000000004, 0.0),), ('NC2D1', 'CC2O1', 'CC3161', 'HCP1'): ((83.68, 0.0),), ('HCP1', 'CC3161', 'CC2O1', 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((37.656, 0.0),), ('CC', None, None, 'CTD1'): ((401.664, 0.0),), ('CTD1', None, None, 'CC'): ((401.664, 0.0),), ('O', 'CTD1', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CTD1', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'CTD1', 'CC'): ((188.28, 0.0),), ('CC', 'CTD1', 'NH2', 'O'): ((188.28, 0.0),), ('N', 'C', 'CPD1', 'CP3'): ((0.0, 0.0),), ('CP3', 'CPD1', 'C', 'N'): ((0.0, 0.0),), ('O', 'CPD1', 'NH2', 'CC'): ((188.28, 0.0),), ('CC', 'NH2', 'CPD1', 'O'): ((188.28, 0.0),), ('O', 'NH2', 'CPD1', 'CC'): ((188.28, 0.0),), ('CC', 'CPD1', 'NH2', 'O'): ((188.28, 0.0),), ('CD', 'CC1A', 'O', 'HR1'): ((58.576, 0.0),), ('HR1', 'O', 'CC1A', 'CD'): ((58.576, 0.0),), ('CPB', 'CPA', 'NPH', 'CPA'): ((87.02720000000001, 0.0),), ('CPA', 'NPH', 'CPA', 'CPB'): ((87.02720000000001, 0.0),), ('CPB', None, None, 'CE1'): ((376.56, 0.0),), ('CE1', None, None, 'CPB'): ((376.56, 0.0),), ('CT2', None, None, 'CPB'): ((376.56, 0.0),), ('CPB', None, None, 'CT2'): ((376.56, 0.0),), ('CT3', None, None, 'CPB'): ((376.56, 0.0),), ('CPB', None, None, 'CT3'): ((376.56, 0.0),), ('HA', 'CPA', 'CPA', 'CPM'): ((123.00959999999999, 0.0),), ('CPM', 'CPA', 'CPA', 'HA'): ((123.00959999999999, 0.0),), ('NPH', 'CPA', 'CPA', 'FE'): ((574.8816, 0.0),), ('FE', 'CPA', 'CPA', 'NPH'): ((574.8816, 0.0),), ('NPH', 'CPA', 'CPB', 'CPB'): ((169.87040000000002, 0.0),), ('CPB', 'CPB', 'CPA', 'NPH'): ((169.87040000000002, 0.0),), ('NPH', 'CPA', 'CPM', 'CPA'): ((76.5672, 0.0),), ('CPA', 'CPM', 'CPA', 'NPH'): ((76.5672, 0.0),), ('NPH', 'CPM', 'CPB', 'CPA'): ((136.81680000000003, 0.0),), ('CPA', 'CPB', 'CPM', 'NPH'): ((136.81680000000003, 0.0),), ('CT3', 'CD', 'O', 'HR1'): ((117.152, 3.141592653589793),), ('HR1', 'O', 'CD', 'CT3'): ((117.152, 3.141592653589793),), ('CT2', 'CD', 'O', 'HR1'): ((117.152, 3.141592653589793),), ('HR1', 'O', 'CD', 'CT2'): ((117.152, 3.141592653589793),), ('CA', 'CD', 'O', 'HR1'): ((58.576, 3.141592653589793),), ('HR1', 'O', 'CD', 'CA'): ((58.576, 3.141592653589793),), ('CG2D1O', 'CG2D1O', 'NG311', 'HGA4'): ((-10.75288, 0.0),), ('HGA4', 'NG311', 'CG2D1O', 'CG2D1O'): ((-10.75288, 0.0),), ('CG2D1O', 'CG2D1O', 'NG2D1', 'HGA4'): ((57.57184, 0.0),), ('HGA4', 'NG2D1', 'CG2D1O', 'CG2D1O'): ((57.57184, 0.0),), ('CG2DC1', 'CG321', 'NG2D1', 'HGA4'): ((29.371679999999998, 0.0),), ('HGA4', 'NG2D1', 'CG321', 'CG2DC1'): ((29.371679999999998, 0.0),), ('CG2DC1', 'CG321', 'CG321', 'NG2D1'): ((502.08000000000004, 0.0),), ('NG2D1', 'CG321', 'CG321', 'CG2DC1'): ((502.08000000000004, 0.0),), ('CG2O5', 'CG2DC1', 'CG321', 'OG2D3'): ((368.192, 0.0),), ('OG2D3', 'CG321', 'CG2DC1', 'CG2O5'): ((368.192, 0.0),), ('CG2O5', 'CG2DC1', 'CG311', 'OG2D3'): ((368.192, 0.0),), ('OG2D3', 'CG311', 'CG2DC1', 'CG2O5'): ((368.192, 0.0),), ('CG2O3', 'OG2D2', 'OG2D2', 'CG3C51'): ((401.664, 0.0),), ('CG3C51', 'OG2D2', 'OG2D2', 'CG2O3'): ((401.664, 0.0),), ('CG2DC1', 'CG2O5', 'CG2R52', 'CG251O'): ((401.664, 0.0),), ('CG251O', 'CG2R52', 'CG2O5', 'CG2DC1'): ((401.664, 0.0),), ('CG251O', 'NG2D1', 'CG3C51', 'CG2R53'): ((368.192, 0.0),), ('CG2R53', 'CG3C51', 'NG2D1', 'CG251O'): ((368.192, 0.0),), ('CG2R52', 'NG2R50', 'CG3C50', 'CG321'): ((368.192, 0.0),), ('CG321', 'CG3C50', 'NG2R50', 'CG2R52'): ((368.192, 0.0),), ('CG2R52', 'NG2R50', 'CG3RC1', 'CG2DC1'): ((368.192, 0.0),), ('CG2DC1', 'CG3RC1', 'NG2R50', 'CG2R52'): ((368.192, 0.0),), ('CG2R52', 'NG2R50', 'CG3C51', 'CG2DC1'): ((368.192, 0.0),), ('CG2DC1', 'CG3C51', 'NG2R50', 'CG2R52'): ((368.192, 0.0),), ('NG2R50', 'CG2R52', 'CG3RC1', 'NI1P'): ((574.8816, 0.0),), ('NI1P', 'CG3RC1', 'CG2R52', 'NG2R50'): ((574.8816, 0.0),), ('NG2R50', 'CG3C51', 'CG2R52', 'NI1P'): ((574.8816, 0.0),), ('NI1P', 'CG2R52', 'CG3C51', 'NG2R50'): ((574.8816, 0.0),), ('NG2D1', 'CG251O', 'CG251O', 'NI1P'): ((574.8816, 0.0),), ('NI1P', 'CG251O', 'CG251O', 'NG2D1'): ((574.8816, 0.0),), ('C', 'CT3', 'N', 'O'): ((297.064, 0.0),), ('O', 'N', 'CT3', 'C'): ((297.064, 0.0),), ('CG2O1', 'CG321', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'NH1', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG2D1O', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'NH1', 'CG2D1O', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG3C51', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'NH1', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG311', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'NH1', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG3C50', 'NH1', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'NH1', 'CG3C50', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG321', 'NH1', 'SG2D1'): ((277.7330832, 0.0),), ('SG2D1', 'NH1', 'CG321', 'CG2O1'): ((277.7330832, 0.0),), ('CG2O1', 'CG3C51', 'N', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'N', 'CG3C51', 'CG2O1'): ((502.08000000000004, 0.0),), ('N', 'CG2O1', 'CP1', 'CP3'): ((0.0, 0.0),), ('CP3', 'CP1', 'CG2O1', 'N'): ((0.0, 0.0),), ('CG2O1', 'CG311', 'N', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'N', 'CG311', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG321', 'N', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'N', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG2D1O', 'N', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'N', 'CG2D1O', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG321', 'N', 'SG2D1'): ((502.08000000000004, 0.0),), ('SG2D1', 'N', 'CG321', 'CG2O1'): ((502.08000000000004, 0.0),), ('CG2O1', 'CG3C50', 'N', 'OG2D1'): ((502.08000000000004, 0.0),), ('OG2D1', 'N', 'CG3C50', 'CG2O1'): ((502.08000000000004, 0.0),), ('NG2S0', 'C', 'CG3C51', 'CG3C52'): ((0.0, 0.0),), ('CG3C52', 'CG3C51', 'C', 'NG2S0'): ((0.0, 0.0),), ('NG2S0', 'C', 'CG3C50', 'CG3C52'): ((0.0, 0.0),), ('CG3C52', 'CG3C50', 'C', 'NG2S0'): ((0.0, 0.0),), ('NG2S1', 'C', 'CG311', 'HGP1'): ((83.68, 0.0),), ('HGP1', 'CG311', 'C', 'NG2S1'): ((83.68, 0.0),), ('NG2S1', 'C', 'CG2D1O', 'HGP1'): ((83.68, 0.0),), ('HGP1', 'CG2D1O', 'C', 'NG2S1'): ((83.68, 0.0),), ('NG2S1', 'C', 'CG3C51', 'HGP1'): ((83.68, 0.0),), ('HGP1', 'CG3C51', 'C', 'NG2S1'): ((83.68, 0.0),), ('NG2S0', 'C', 'CG321', 'CG321'): ((0.0, 0.0),), ('CG321', 'CG321', 'C', 'NG2S0'): ((0.0, 0.0),), ('NG2S0', 'C', 'CG311', 'CG331'): ((0.0, 0.0),), ('CG331', 'CG311', 'C', 'NG2S0'): ((0.0, 0.0),), ('CAP', None, None, 'NH2'): ((41.84, 0.0),), ('NH2', None, None, 'CAP'): ((41.84, 0.0),), ('H', 'H', 'NH2', 'CAP'): ((7.9496, 3.141592653589793),), ('CAP', 'NH2', 'H', 'H'): ((7.9496, 3.141592653589793),), ('HP', None, None, 'CAP'): ((62.760000000000005, 0.0),), ('CAP', None, None, 'HP'): ((62.760000000000005, 0.0),), ('FA', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),), ('CAP', 'CAP', 'CAP', 'FA'): ((7.9496, 0.0),), ('CT3', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),), ('CAP', 'CAP', 'CAP', 'CT3'): ((7.9496, 0.0),), ('CT2', 'CAP', 'CAP', 'CAP'): ((7.9496, 0.0),), ('CAP', 'CAP', 'CAP', 'CT2'): ((7.9496, 0.0),), ('CAP', 'CD', 'O', 'HR1'): ((58.576, 3.141592653589793),), ('HR1', 'O', 'CD', 'CAP'): ((58.576, 3.141592653589793),), ('COA', 'CAP', 'CT3', 'OCA'): ((125.52000000000001, 0.0),), ('OCA', 'CT3', 'CAP', 'COA'): ((125.52000000000001, 0.0),), ('COA', 'CAP', 'NH2', 'OCA'): ((125.52000000000001, 0.0),), ('OCA', 'NH2', 'CAP', 'COA'): ((125.52000000000001, 0.0),), ('CAP', 'CAP', 'CAP', 'COA'): ((125.52000000000001, 0.0),), ('COA', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),), ('CAP', 'CAP', 'CAP', 'CA'): ((125.52000000000001, 0.0),), ('CA', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),), ('CAP', 'CAP', 'CAP', 'CN'): ((125.52000000000001, 0.0),), ('CN', 'CAP', 'CAP', 'CAP'): ((125.52000000000001, 0.0),), ('NR1', 'CPH1', 'CPH2', 'CN7B'): ((2.5104, 0.0),), ('CN7B', 'CPH2', 'CPH1', 'NR1'): ((2.5104, 0.0),), ('NR1', 'CPH2', 'CPH1', 'CN7B'): ((2.5104, 0.0),), ('CN7B', 'CPH1', 'CPH2', 'NR1'): ((2.5104, 0.0),), ('NN2G', 'CN4', 'CN1', 'HN2'): ((3.3472000000000004, 0.0),), ('HN2', 'CN1', 'CN4', 'NN2G'): ((3.3472000000000004, 0.0),), ('CN4', 'NN2G', 'NN3I', 'HN3'): ((163.17600000000002, 0.0),), ('HN3', 'NN3I', 'NN2G', 'CN4'): ((163.17600000000002, 0.0),), ('CN1', 'NN3G', 'CN5G', 'ON5'): ((230.12, 0.0),), ('ON5', 'CN5G', 'NN3G', 'CN1'): ((230.12, 0.0),), ('CN2', 'NN2C', 'CN3', 'NN1C'): ((376.56, 0.0),), ('NN1C', 'CN3', 'NN2C', 'CN2'): ((376.56, 0.0),), ('NNG', None, None, 'CNG'): ((167.36, 0.0),), ('CNG', None, None, 'NNG'): ((167.36, 0.0),), ('C', 'O', 'CT2', 'NH1'): ((502.08000000000004, 0.0),), ('NH1', 'CT2', 'O', 'C'): ((502.08000000000004, 0.0),), ('CC', 'O', 'CT2', 'N'): ((502.08000000000004, 0.0),), ('N', 'CT2', 'O', 'CC'): ((502.08000000000004, 0.0),), ('N', 'CT2', 'CT2', 'CC'): ((0.0, 0.0),), ('CC', 'CT2', 'CT2', 'N'): ((0.0, 0.0),), ('N', 'CT2', 'CT2P', 'CC'): ((0.0, 0.0),), ('CC', 'CT2P', 'CT2', 'N'): ((0.0, 0.0),), ('CN3', 'CN3C', 'CN8', 'HN6'): ((62.760000000000005, 0.0),), ('HN6', 'CN8', 'CN3C', 'CN3'): ((62.760000000000005, 0.0),), ('HN3B', None, None, 'CN3'): ((62.760000000000005, 0.0),), ('CN3', None, None, 'HN3B'): ((62.760000000000005, 0.0),), ('HN3B', None, None, 'CN3A'): ((54.392, 0.0),), ('CN3A', None, None, 'HN3B'): ((54.392, 0.0),), ('HN3B', None, None, 'CN3B'): ((54.392, 0.0),), ('CN3B', None, None, 'HN3B'): ((54.392, 0.0),), ('HN2', 'CN3', 'CN3B', 'NN2'): ((209.20000000000002, 0.0),), ('NN2', 'CN3B', 'CN3', 'HN2'): ((209.20000000000002, 0.0),), ('HN1', 'HN1', 'CN1A', 'NN1'): ((-20.92, 0.0),), ('NN1', 'CN1A', 'HN1', 'HN1'): ((-20.92, 0.0),), ('ON1', None, None, 'CN1A'): ((167.36, 0.0),), ('CN1A', None, None, 'ON1'): ((167.36, 0.0),), ('HN3', None, None, 'CN3C'): ((221.752, 0.0),), ('CN3C', None, None, 'HN3'): ((221.752, 0.0),), ('HN6', None, None, 'CN3C'): ((221.752, 0.0),), ('CN3C', None, None, 'HN6'): ((221.752, 0.0),), ('HN8', 'CN3', 'CN3', 'CN8'): ((75.312, 0.0),), ('CN8', 'CN3', 'CN3', 'HN8'): ((75.312, 0.0),), ('PX', 'OX1', 'OX1', 'ON2'): ((334.72, 0.0),), ('ON2', 'OX1', 'OX1', 'PX'): ((334.72, 0.0),), ('PX', 'OX1', 'SX', 'ON2'): ((334.72, 0.0),), ('ON2', 'SX', 'OX1', 'PX'): ((334.72, 0.0),), ('PX', 'SX', 'OX1', 'ON2'): ((334.72, 0.0),), ('ON2', 'OX1', 'SX', 'PX'): ((334.72, 0.0),), ('PX', 'SX', 'SX', 'ON2'): ((334.72, 0.0),), ('ON2', 'SX', 'SX', 'PX'): ((334.72, 0.0),), ('NN3A', 'CN2D', 'NN3A', 'CN2'): ((334.72, 0.0),), ('CN2', 'NN3A', 'CN2D', 'NN3A'): ((334.72, 0.0),), ('NN3A', 'CN2D', 'NN3A', 'CN5'): ((334.72, 0.0),), ('CN5', 'NN3A', 'CN2D', 'NN3A'): ((334.72, 0.0),), ('CN5', 'CN2', 'NN3A', 'CN2D'): ((334.72, 0.0),), ('CN2D', 'NN3A', 'CN2', 'CN5'): ((334.72, 0.0),), ('NG2S1', 'C', 'CG321', 'HGP1'): ((83.68, 0.0),), ('HGP1', 'CG321', 'C', 'NG2S1'): ((83.68, 0.0),), ('CC2O1', 'CT1', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),), ('OC2D1', 'NC2D1', 'CT1', 'CC2O1'): ((502.08000000000004, 0.0),), ('CC', 'OS', 'NH2', 'OB'): ((502.08000000000004, 0.0),), ('OB', 'NH2', 'OS', 'CC'): ((502.08000000000004, 0.0),), ('CC2O2', 'CC312', 'OC2D2', 'OC2D2'): ((401.664, 0.0),), ('OC2D2', 'OC2D2', 'CC312', 'CC2O2'): ((401.664, 0.0),), ('CC2O1', 'CT3', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),), ('OC2D1', 'NC2D1', 'CT3', 'CC2O1'): ((502.08000000000004, 0.0),), ('CC2O1', 'CC331', 'NC2D1', 'NC2'): ((188.28, 0.0),), ('NC2', 'NC2D1', 'CC331', 'CC2O1'): ((188.28, 0.0),), ('CC2O1', 'HCR1', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'HCR1', 'CC2O1'): ((188.28, 0.0),), ('CC2O1', 'CT2', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'CT2', 'CC2O1'): ((188.28, 0.0),), ('NC2D1', 'CC2O1', 'CC3152', 'HCP1'): ((83.68, 0.0),), ('HCP1', 'CC3152', 'CC2O1', 'NC2D1'): ((83.68, 0.0),), ('NC2D1', 'CC2O1', 'CC322', 'HCP1'): ((83.68, 0.0),), ('HCP1', 'CC322', 'CC2O1', 'NC2D1'): ((83.68, 0.0),), ('CC2O2', 'CC3163', 'OC301', 'OC2D2'): ((259.408, 0.0),), ('OC2D2', 'OC301', 'CC3163', 'CC2O2'): ((259.408, 0.0),), ('CC2O2', 'CC3261', 'OC2D2', 'OC2D2'): ((401.664, 0.0),), ('OC2D2', 'OC2D2', 'CC3261', 'CC2O2'): ((401.664, 0.0),), ('CC2O1', 'CC312', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'CC312', 'CC2O1'): ((188.28, 0.0),), ('CC2O1', 'CC322', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'CC322', 'CC2O1'): ((188.28, 0.0),), ('CC2O1', 'CP1', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'CP1', 'CC2O1'): ((188.28, 0.0),), ('CC', 'NH1', 'CP2', 'O'): ((376.56, 0.0),), ('O', 'CP2', 'NH1', 'CC'): ((376.56, 0.0),), ('NH1', None, None, 'HCA1'): ((83.68, 0.0),), ('HCA1', None, None, 'NH1'): ((83.68, 0.0),), ('NC2D1', 'CC2O1', 'CC311D', 'HCP1'): ((83.68, 0.0),), ('HCP1', 'CC311D', 'CC2O1', 'NC2D1'): ((83.68, 0.0),), ('NC2D1', 'CC2O1', 'CC3162', 'HCP1'): ((83.68, 0.0),), ('HCP1', 'CC3162', 'CC2O1', 'NC2D1'): ((83.68, 0.0),), ('CC2O1', 'NC2D1', 'CC321', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'CC321', 'NC2D1', 'CC2O1'): ((188.28, 0.0),), ('CC2O1', 'CC321', 'NC2D1', 'OC2D1'): ((188.28, 0.0),), ('OC2D1', 'NC2D1', 'CC321', 'CC2O1'): ((188.28, 0.0),), ('NHL', None, None, 'H'): ((83.68, 0.0),), ('H', None, None, 'NHL'): ((83.68, 0.0),), ('CL', None, None, 'CTL2'): ((401.664, 0.0),), ('CTL2', None, None, 'CL'): ((401.664, 0.0),), ('C', 'O', 'NH1', 'CTL2'): ((401.664, 0.0),), ('CTL2', 'NH1', 'O', 'C'): ((401.664, 0.0),), ('CC2O1', 'CTL2', 'NC2D1', 'OC2D1'): ((502.08000000000004, 0.0),), ('OC2D1', 'NC2D1', 'CTL2', 'CC2O1'): ((502.08000000000004, 0.0),), ('C', 'CT1', 'O', 'OSL'): ((259.408, 0.0),), ('OSL', 'O', 'CT1', 'C'): ((259.408, 0.0),), ('C', 'CTL2', 'O', 'OSL'): ((259.408, 0.0),), ('OSL', 'O', 'CTL2', 'C'): ((259.408, 0.0),), ('N1', 'HNT1', 'HNT1', 'CNT1'): ((145.6032, 0.0),), ('CNT1', 'HNT1', 'HNT1', 'N1'): ((145.6032, 0.0),)}
+    # Return None to indicate an atom without template name information.
+    atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
+    if len(atom_name_parts) &lt; 2:
+        return None
+    templates.add(atom_name_parts[0])
+    return f"{atom_name_prefix}{atom_name_parts[1]}"
 
 def is_valid_improper(atom_indices):
     index_1, index_2, index_3, index_4 = atom_indices
@@ -255610,23 +259286,38 @@ def find_improper(improper_types, atom_classes):
 
 residue_data = []
 
-for residue in topology.residues():
-    # Extract the residue or patch names and atom names from the atom type names.
-    templates = []
-    atom_names = []
-    for atom in residue.atoms():
-        raw_atom_name = data.atomType[atom]
-        atom_is_drude = raw_atom_name.startswith("Drude-")
-        if atom_is_drude:
-            atom_name_parts = raw_atom_name[len("Drude-"):].rsplit("-", maxsplit=1)
-            atom_names.append(f"D{atom_name_parts[1]}")
-        else:
-            atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
-            atom_names.append(atom_name_parts[1])
-        templates.append(atom_name_parts[0])
+for residue_index, residue in enumerate(topology.residues()):
+    # Extract the residue or patch names and atom names.
+    template_data = templateForResidue[residue_index]
+    templates = set()
+    if template_data is None:
+        # Multi-residue patch; fall back to parsing atom names because OpenMM
+        # leaves None in templateForResidue in this case.
+        atom_names = []
+        skip_residue = False
+        for atom in residue.atoms():
+            atom_name = extract_atom_name(data.atomType[atom], templates)
+            if atom_name is None:
+                # Skip residues containing atoms without template name data
+                # (they might be from, e.g., another solvent force field file).
+                skip_residue = True
+                break
+            atom_names.append(atom_name)
+        if skip_residue:
+            residue_data.append(([], [], []))
+            continue
+    else:
+        # Extract names from template name.
+        for template_index, template_name in enumerate(template_data.name.split("-")):
+            if template_index:
+                # Patch name.
+                templates.add(template_name.rsplit("_", maxsplit=1)[0])
+            else:
+                # Residue name.
+                templates.add(template_name)
+        atom_names = [template_data.atoms[data.atomTemplateIndexes[atom]].name for atom in residue.atoms()]
 
     # Get all unique residue or patch names that have impropers.
-    templates = set(templates)
     residue_templates = sorted(
         (template for template in templates if template in residue_impropers), key=residue_order.get
     )
@@ -255727,4 +259418,12 @@ if harmonic_impropers:
         harmonic_force.addTorsion(*improper)
 
     sys.addForce(harmonic_force)</Script>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
 </ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/spce.xml b/wrappers/python/openmm/app/data/charmm36_2024/spce.xml
new file mode 100644
index 0000000000..d8cbca6a62
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/spce.xml
@@ -0,0 +1,460 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_spc_e.str" md5hash="5a43bf944d3d6bd537b50538ceb83560" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_spc_e.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="H.J.C. Berendsen, J. R. Grigera, and T. P. Straatsma. The Missing Term in Effective Pair Potentials. J. Phys. Chem 91:6269-6271, 1987." forcefield="spc-e">H.J.C. Berendsen, J. R. Grigera, and T. P. Straatsma. The Missing Term in Effective Pair Potentials. J. Phys. Chem 91:6269-6271, 1987.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="SPCE-OH2" />
+    <Type class="HT" element="H" mass="1.008" name="SPCE-H1" />
+    <Type class="HT" element="H" mass="1.008" name="SPCE-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="SPCE">
+      <Atom charge="-0.8476" name="OH2" type="SPCE-OH2" />
+      <Atom charge="0.4238" name="H1" type="SPCE-H1" />
+      <Atom charge="0.4238" name="H2" type="SPCE-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.1633" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.1" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.9106119321581925" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="4.184e-06" sigma="1.7817974362806786e-05" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.64973336" sigma="0.3165541325296254" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-b.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-b.xml
new file mode 100644
index 0000000000..3c28f49935
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-b.xml
@@ -0,0 +1,460 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip3p_pme_b.str" md5hash="772b85f388766661707343bb1947dc1a" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip3p_pme_b.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="D.J. Price and C.L. Brooks III. A modified TIP3P water potential for simulation with Ewald summation. J. Chem. Phys. 121:10096-10103, 2004." forcefield="tip3p-pme-b">D.J. Price and C.L. Brooks III. A modified TIP3P water potential for simulation with Ewald summation. J. Chem. Phys. 121:10096-10103, 2004.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TP3B-OH2" />
+    <Type class="HT" element="H" mass="1.008" name="TP3B-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TP3B-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TP3B">
+      <Atom charge="-0.83" name="OH2" type="TP3B-OH2" />
+      <Atom charge="0.415" name="H1" type="TP3B-H1" />
+      <Atom charge="0.415" name="H2" type="TP3B-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.15139000000000002" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.8242181341844732" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.426768" sigma="0.31879919729933903" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
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+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
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+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
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+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
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+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
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+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-f.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-f.xml
new file mode 100644
index 0000000000..47657ea941
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip3p-pme-f.xml
@@ -0,0 +1,460 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip3p_pme_f.str" md5hash="2a6cb5826fd2c30b3430fa8b04f34ec8" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip3p_pme_f.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="D.J. Price and C.L. Brooks III. A modified TIP3P water potential for simulation with Ewald summation. J. Chem. Phys. 121:10096-10103, 2004." forcefield="tip3p-pme-f">D.J. Price and C.L. Brooks III. A modified TIP3P water potential for simulation with Ewald summation. J. Chem. Phys. 121:10096-10103, 2004.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TP3F-OH2" />
+    <Type class="HT" element="H" mass="1.008" name="TP3F-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TP3F-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TP3F">
+      <Atom charge="-0.83" name="OH2" type="TP3F-OH2" />
+      <Atom charge="0.415" name="H1" type="TP3F-H1" />
+      <Atom charge="0.415" name="H2" type="TP3F-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.15139000000000002" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.8242181341844732" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.410032" sigma="0.3194050084276745" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip4p2005.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip4p2005.xml
new file mode 100644
index 0000000000..fb92496f47
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip4p2005.xml
@@ -0,0 +1,466 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip4p_2005.str" md5hash="e2932421df3f88ec82c5a7b9b6c8292c" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip4p_2005.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="J.L.F. Abascal and C. Vega. A general purpose model for the condensed phases of water: TIP4P/2005 J. Chem. Phys. 123:234505, 2005." forcefield="tip4p-2005">J.L.F. Abascal and C. Vega. A general purpose model for the condensed phases of water: TIP4P/2005 J. Chem. Phys. 123:234505, 2005.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TP45-OH2" />
+    <Type class="LP" mass="0.0" name="TP45-OM" />
+    <Type class="HT" element="H" mass="1.008" name="TP45-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TP45-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TP45">
+      <Atom charge="0.0" name="OH2" type="TP45-OH2" />
+      <Atom charge="-1.1128" name="OM" type="TP45-OM" />
+      <Atom charge="0.5564" name="H1" type="TP45-H1" />
+      <Atom charge="0.5564" name="H2" type="TP45-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+      <VirtualSite atomName1="OH2" atomName2="H2" atomName3="H1" p1="0.015459999999999998" p2="0" p3="0" siteName="OM" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.5" wx3="0.5" wy1="0" wy2="-1" wy3="1" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.15139000000000002" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+    <Bond class1="OT" class2="LP" k="0.0" length="0.015" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.8242181341844732" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.7748768" sigma="0.3158414135551131" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip4pew.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip4pew.xml
new file mode 100644
index 0000000000..ffe02ad093
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip4pew.xml
@@ -0,0 +1,466 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip4p_ew.str" md5hash="50fdc364d5a9faf3dc728329548dc3ac" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip4p_ew.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="H.W. Horn; W.C Swope; J.W. Pitera; J.D. Madura; T.J. Dick; G.L. Hura; T. Head-Gordon. J. Chem. Phys. 120:9665-9678, 2004." forcefield="tip4p-ew">H.W. Horn; W.C Swope; J.W. Pitera; J.D. Madura; T.J. Dick; G.L. Hura; T. Head-Gordon. J. Chem. Phys. 120:9665-9678, 2004.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TP4E-OH2" />
+    <Type class="LP" mass="0.0" name="TP4E-OM" />
+    <Type class="HT" element="H" mass="1.008" name="TP4E-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TP4E-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TP4E">
+      <Atom charge="0.0" name="OH2" type="TP4E-OH2" />
+      <Atom charge="-1.04844" name="OM" type="TP4E-OM" />
+      <Atom charge="0.52422" name="H1" type="TP4E-H1" />
+      <Atom charge="0.52422" name="H2" type="TP4E-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+      <VirtualSite atomName1="OH2" atomName2="H2" atomName3="H1" p1="0.0125" p2="0" p3="0" siteName="OM" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.5" wx3="0.5" wy1="0" wy2="-1" wy3="1" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.15139000000000002" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+    <Bond class1="OT" class2="LP" k="0.0" length="0.015" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.8242181341844732" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.680946" sigma="0.31642940670908576" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip5p.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip5p.xml
new file mode 100644
index 0000000000..68623343b8
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip5p.xml
@@ -0,0 +1,469 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip5p.str" md5hash="9c77ba3236c2f10e5474bcbda612a486" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip5p.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="M.W. Mahoney and W.L. Jorgensen. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions. J. Chem Phys. 112:8910-8922, 2000." forcefield="tip5p">M.W. Mahoney and W.L. Jorgensen. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions. J. Chem Phys. 112:8910-8922, 2000.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TIP5-OH2" />
+    <Type class="HT" element="H" mass="1.008" name="TIP5-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TIP5-H2" />
+    <Type class="LP" mass="0.0" name="TIP5-LP1" />
+    <Type class="LP" mass="0.0" name="TIP5-LP2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TIP5">
+      <Atom charge="0.0" name="OH2" type="TIP5-OH2" />
+      <Atom charge="0.241" name="H1" type="TIP5-H1" />
+      <Atom charge="0.241" name="H2" type="TIP5-H2" />
+      <Atom charge="-0.241" name="LP1" type="TIP5-LP1" />
+      <Atom charge="-0.241" name="LP2" type="TIP5-LP2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+      <VirtualSite atomName1="OH2" atomName2="H2" atomName3="H1" p1="-0.04041512765608711" p2="0" p3="0.057154330164408206" siteName="LP1" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.5" wx3="0.5" wy1="0" wy2="-1" wy3="1" />
+      <VirtualSite atomName1="OH2" atomName2="H2" atomName3="H1" p1="-0.04041512765608711" p2="0" p3="-0.057154330164408206" siteName="LP2" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.5" wx3="0.5" wy1="0" wy2="-1" wy3="1" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
+    </Residue>
+  </Residues>
+  <HarmonicBondForce>
+    <Bond class1="HT" class2="HT" k="0.0" length="0.15139000000000002" />
+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
+    <Bond class1="OX" class2="HX" k="456055.99999999994" length="0.097" />
+    <Bond class1="OT" class2="LP" k="0.0" length="0.06999999999999999" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
+    <Angle angle="1.8242181341844732" class1="HT" class2="OT" class3="HT" k="460.24" />
+  </HarmonicAngleForce>
+  <AmoebaUreyBradleyForce />
+  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
+    <UseAttributeFromResidue name="charge" />
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.0" sigma="1.0" />
+    <Atom class="OT" epsilon="0.0" sigma="1.0" />
+    <Atom class="OX" epsilon="0.0" sigma="1.0" />
+    <Atom class="LIT" epsilon="0.0" sigma="1.0" />
+    <Atom class="SOD" epsilon="0.0" sigma="1.0" />
+    <Atom class="MG" epsilon="0.0" sigma="1.0" />
+    <Atom class="POT" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAL" epsilon="0.0" sigma="1.0" />
+    <Atom class="RUB" epsilon="0.0" sigma="1.0" />
+    <Atom class="CES" epsilon="0.0" sigma="1.0" />
+    <Atom class="BAR" epsilon="0.0" sigma="1.0" />
+    <Atom class="ZN" epsilon="0.0" sigma="1.0" />
+    <Atom class="CAD" epsilon="0.0" sigma="1.0" />
+    <Atom class="CLA" epsilon="0.0" sigma="1.0" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI1P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RA2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="NI2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PD2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SN2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.66944" sigma="0.3119570951440212" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/tip5pew.xml b/wrappers/python/openmm/app/data/charmm36_2024/tip5pew.xml
new file mode 100644
index 0000000000..4db5f89b04
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/tip5pew.xml
@@ -0,0 +1,469 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/non_charmm/toppar_water_ions_tip5p_ew.str" md5hash="f12096ec0aa691de80983a34cc5cce5a" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/non_charmm/toppar_water_ions_tip5p_ew.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="Rick, S.W. A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums. J Chem Phys 120: 6085-93, 2004." forcefield="tip5p-ew">Rick, S.W. A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums. J Chem Phys 120: 6085-93, 2004.</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
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+    <Atom class="PT2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HG2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB2P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SC3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="Y3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ND3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="SM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="EU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GD3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="DY3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="HO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="ER3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TM3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="YB3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="LU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="U3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="PU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TI3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="V3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CR3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="MN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="FE3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="CO3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="GA3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="RH3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="IN3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="AU3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="TL3P" epsilon="0.0" sigma="1.0" />
+    <Atom class="BI3P" epsilon="0.0" sigma="1.0" />
+  </NonbondedForce>
+  <LennardJonesForce lj14scale="1.0">
+    <Atom class="HT" epsilon="0.0" sigma="1.0" />
+    <Atom class="HX" epsilon="0.192464" sigma="0.04000135244450124" />
+    <Atom class="OT" epsilon="0.680946" sigma="0.30965857645121914" />
+    <Atom class="OX" epsilon="0.50208" sigma="0.30290556416771536" />
+    <Atom class="LIT" epsilon="0.00974872" sigma="0.23118821735741807" />
+    <Atom class="SOD" epsilon="0.1962296" sigma="0.2513670733232967" />
+    <Atom class="MG" epsilon="0.06276" sigma="0.2111429961992604" />
+    <Atom class="POT" epsilon="0.364008" sigma="0.3142645228240047" />
+    <Atom class="CAL" epsilon="0.50208" sigma="0.24357170953956878" />
+    <Atom class="RUB" epsilon="0.6276" sigma="0.3385415128933289" />
+    <Atom class="CES" epsilon="0.79496" sigma="0.37417746161894255" />
+    <Atom class="BAR" epsilon="0.6276" sigma="0.33675971545704825" />
+    <Atom class="ZN" epsilon="1.046" sigma="0.194215920554594" />
+    <Atom class="CAD" epsilon="0.50208" sigma="0.2417899121032881" />
+    <Atom class="CLA" epsilon="0.6276" sigma="0.4044680180357141" />
+    <Atom class="LP" epsilon="0.0" sigma="1.0" />
+    <Atom class="CU1P" epsilon="0.7748768" sigma="0.1535909390073945" />
+    <Atom class="AG1P" epsilon="1.2008079999999999" sigma="0.2163636626875628" />
+    <Atom class="AU1P" epsilon="1.4907592" sigma="0.11250269012676205" />
+    <Atom class="TI1P" epsilon="1.7016328" sigma="0.34401163102271065" />
+    <Atom class="BE2P" epsilon="0.4250944" sigma="0.007127189745122714" />
+    <Atom class="SR2P" epsilon="0.9572992" sigma="0.3306837861993312" />
+    <Atom class="RA2P" epsilon="1.2631496" sigma="0.37237784620829906" />
+    <Atom class="V2P" epsilon="0.6732056" sigma="0.1966569830422985" />
+    <Atom class="CR2P" epsilon="0.6974728" sigma="0.18872798445084948" />
+    <Atom class="MN2P" epsilon="0.7050040000000001" sigma="0.2144749574051053" />
+    <Atom class="FE2P" epsilon="0.667348" sigma="0.1924519410926761" />
+    <Atom class="CO2P" epsilon="0.6439176000000001" sigma="0.16527953018939576" />
+    <Atom class="NI2P" epsilon="0.5999856" sigma="0.13903365395298137" />
+    <Atom class="CU2P" epsilon="0.629692" sigma="0.129198132104712" />
+    <Atom class="PD2P" epsilon="0.7288528" sigma="0.16519044031758173" />
+    <Atom class="AG2P" epsilon="0.7752952" sigma="0.1869105510658432" />
+    <Atom class="SN2P" epsilon="0.7861736" sigma="0.29542201493533654" />
+    <Atom class="PT2P" epsilon="0.6824104" sigma="0.1420270736459329" />
+    <Atom class="HG2P" epsilon="0.8593936" sigma="0.2105728210196506" />
+    <Atom class="PB2P" epsilon="1.0016496000000001" sigma="0.3132399892981433" />
+    <Atom class="SM2P" epsilon="1.0242432" sigma="0.330790694045508" />
+    <Atom class="EU2P" epsilon="0.9907712000000001" sigma="0.3279220001730961" />
+    <Atom class="YB2P" epsilon="0.8593936" sigma="0.28669120749756116" />
+    <Atom class="AL3P" epsilon="0.44601440000000003" sigma="0.039377723341803" />
+    <Atom class="SC3P" epsilon="0.5899439999999999" sigma="0.19544536078562763" />
+    <Atom class="Y3P" epsilon="0.6928704" sigma="0.25183924964391113" />
+    <Atom class="LA3P" epsilon="0.7932864" sigma="0.3158592315294759" />
+    <Atom class="CE3P" epsilon="0.7702744000000001" sigma="0.30495463121943817" />
+    <Atom class="PR3P" epsilon="0.7627432" sigma="0.2956180126533274" />
+    <Atom class="ND3P" epsilon="0.7497728" sigma="0.2886333667031071" />
+    <Atom class="PM3P" epsilon="0.74266" sigma="0.29527947114043407" />
+    <Atom class="SM3P" epsilon="0.7351288" sigma="0.2791542043420939" />
+    <Atom class="EU3P" epsilon="0.728016" sigma="0.2713677495455473" />
+    <Atom class="GD3P" epsilon="0.7209032000000001" sigma="0.2681605141602421" />
+    <Atom class="TB3P" epsilon="0.7083512000000001" sigma="0.2628151218514001" />
+    <Atom class="DY3P" epsilon="0.6999832" sigma="0.2573628216963812" />
+    <Atom class="HO3P" epsilon="0.6928704" sigma="0.247794569463554" />
+    <Atom class="ER3P" epsilon="0.6845024" sigma="0.24362516346265717" />
+    <Atom class="TM3P" epsilon="0.6778080000000001" sigma="0.24029320225681233" />
+    <Atom class="YB3P" epsilon="0.6711136" sigma="0.23077840394707347" />
+    <Atom class="LU3P" epsilon="0.6644192" sigma="0.2407564695902453" />
+    <Atom class="U3P" epsilon="0.7932864" sigma="0.3031193798600691" />
+    <Atom class="PU3P" epsilon="0.7702744000000001" sigma="0.29750671793578487" />
+    <Atom class="TI3P" epsilon="0.537644" sigma="0.14769318949330543" />
+    <Atom class="V3P" epsilon="0.5171424" sigma="0.10943799853635927" />
+    <Atom class="CR3P" epsilon="0.5045904" sigma="0.15022334185282402" />
+    <Atom class="MN3P" epsilon="0.5238368" sigma="0.06849229345062928" />
+    <Atom class="FE3P" epsilon="0.5238368" sigma="0.10090318881657484" />
+    <Atom class="CO3P" epsilon="0.4983144" sigma="0.04598819183040431" />
+    <Atom class="GA3P" epsilon="0.5045904" sigma="0.04042898382920859" />
+    <Atom class="RH3P" epsilon="0.537644" sigma="0.0821943157356277" />
+    <Atom class="IN3P" epsilon="0.6163031999999999" sigma="0.15435711190499518" />
+    <Atom class="AU3P" epsilon="0.5564720000000001" sigma="0.065106878321696" />
+    <Atom class="TL3P" epsilon="0.6815736" sigma="0.15489165113587938" />
+    <Atom class="BI3P" epsilon="0.7740400000000001" sigma="0.24378552523192246" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.35093300000000005" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.477963424" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OCL" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OC2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.28419669108676826" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm36_2024/water.xml b/wrappers/python/openmm/app/data/charmm36_2024/water.xml
new file mode 100644
index 0000000000..912a32704b
--- /dev/null
+++ b/wrappers/python/openmm/app/data/charmm36_2024/water.xml
@@ -0,0 +1,502 @@
+<ForceField>
+  <Info>
+    <DateGenerated>2025-02-27</DateGenerated>
+    <Source Source="toppar/toppar_water_ions.str" md5hash="1eba52cd9a244fa3df9a274a806d9128" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/toppar_water_ions.str</Source>
+    <Source Source="toppar/stream/misc/toppar_ions_won.str" md5hash="f523f7727e7dfa25468cc75f9b880c5b" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_jul24.tgz">toppar/stream/misc/toppar_ions_won.str</Source>
+    <Reference Reference="W.L. Jorgensen; J.Chandrasekhar; J.D. Madura; R.W. Impey; M.L. Klein; &quot;Comparison of simple potential functions for simulating liquid water&quot;, J. Chem. Phys. 79 926-935 (1983)." forcefield="tip3p">W.L. Jorgensen; J.Chandrasekhar; J.D. Madura; R.W. Impey; M.L. Klein; "Comparison of simple potential functions for simulating liquid water", J. Chem. Phys. 79 926-935 (1983).</Reference>
+    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
+    <Reference Reference="Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)" forcefield="ions">Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)</Reference>
+    <Reference Reference="Won, Y., &quot;Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential,&quot; Journal of Physical Chemistry A., 116: 11763-11767, 2012." forcefield="ions">Won, Y., "Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential," Journal of Physical Chemistry A., 116: 11763-11767, 2012.</Reference>
+  </Info>
+  <AtomTypes>
+    <Type class="OT" element="O" mass="15.9994" name="TIP3-OH2" />
+    <Type class="HT" element="H" mass="1.008" name="TIP3-H1" />
+    <Type class="HT" element="H" mass="1.008" name="TIP3-H2" />
+    <Type class="OX" element="O" mass="15.9994" name="OH-O1" />
+    <Type class="HX" element="H" mass="1.008" name="OH-H1" />
+    <Type class="HPER" element="H" mass="1.008" name="H2O2-HP1" />
+    <Type class="OPER" element="O" mass="15.999" name="H2O2-OP1" />
+    <Type class="OPER" element="O" mass="15.999" name="H2O2-OP2" />
+    <Type class="HPER" element="H" mass="1.008" name="H2O2-HP2" />
+    <Type class="LIT" element="Li" mass="6.941" name="LIT-LIT" />
+    <Type class="SOD" element="Na" mass="22.98977" name="SOD-SOD" />
+    <Type class="MG" element="Mg" mass="24.305" name="MG-MG" />
+    <Type class="POT" element="K" mass="39.0983" name="POT-POT" />
+    <Type class="CAL" element="Ca" mass="40.08" name="CAL-CAL" />
+    <Type class="RUB" element="Rb" mass="85.4678" name="RUB-RUB" />
+    <Type class="CES" element="Cs" mass="132.90545" name="CES-CES" />
+    <Type class="BAR" element="Ba" mass="137.327" name="BAR-BAR" />
+    <Type class="ZN" element="Zn" mass="65.37" name="ZN2-ZN" />
+    <Type class="CAD" element="Cd" mass="112.411" name="CD2-CD" />
+    <Type class="CLA" element="Cl" mass="35.45" name="CLA-CLA" />
+    <Type class="CU1P" element="Cu" mass="63.546" name="CU1P-CU1P" />
+    <Type class="AG1P" element="Ag" mass="107.87" name="AG1P-AG1P" />
+    <Type class="AU1P" element="Au" mass="196.97" name="AU1P-AU1P" />
+    <Type class="TI1P" element="Ti" mass="47.867" name="TI1P-TI1P" />
+    <Type class="BE2P" element="Be" mass="9.0122" name="BE2P-BE2P" />
+    <Type class="SR2P" element="Sr" mass="87.62" name="SR2P-SR2P" />
+    <Type class="RA2P" element="Ra" mass="226.03" name="RA2P-RA2P" />
+    <Type class="V2P" element="V" mass="50.942" name="V2P-V2P" />
+    <Type class="CR2P" element="Cr" mass="51.996" name="CR2P-CR2P" />
+    <Type class="MN2P" element="Mn" mass="54.938" name="MN2P-MN2P" />
+    <Type class="FE2P" element="Fe" mass="55.854" name="FE2P-FE2P" />
+    <Type class="CO2P" element="Co" mass="58.933" name="CO2P-CO2P" />
+    <Type class="NI2P" element="Ni" mass="58.693" name="NI2P-NI2P" />
+    <Type class="CU2P" element="Cu" mass="63.546" name="CU2P-CU2P" />
+    <Type class="PD2P" element="Pd" mass="106.42" name="PD2P-PD2P" />
+    <Type class="AG2P" element="Ag" mass="107.87" name="AG2P-AG2P" />
+    <Type class="SN2P" element="Sn" mass="118.71" name="SN2P-SN2P" />
+    <Type class="PT2P" element="Pt" mass="195.08" name="PT2P-PT2P" />
+    <Type class="HG2P" element="Hg" mass="200.59" name="HG2P-HG2P" />
+    <Type class="PB2P" element="Pb" mass="207.2" name="PB2P-PB2P" />
+    <Type class="SM2P" element="Sm" mass="150.36" name="SM2P-SM2P" />
+    <Type class="EU2P" element="Eu" mass="151.96" name="EU2P-EU2P" />
+    <Type class="YB2P" element="Yb" mass="173.05" name="YB2P-YB2P" />
+    <Type class="AL3P" element="Al" mass="26.982" name="AL3P-AL3P" />
+    <Type class="SC3P" element="Sc" mass="44.956" name="SC3P-SC3P" />
+    <Type class="Y3P" element="Y" mass="88.906" name="Y3P-Y3P" />
+    <Type class="LA3P" element="La" mass="138.91" name="LA3P-LA3P" />
+    <Type class="CE3P" element="Ce" mass="140.12" name="CE3P-CE3P" />
+    <Type class="PR3P" element="Pr" mass="140.91" name="PR3P-PR3P" />
+    <Type class="ND3P" element="Nd" mass="144.24" name="ND3P-ND3P" />
+    <Type class="PM3P" element="Pm" mass="144.91" name="PM3P-PM3P" />
+    <Type class="SM3P" element="Sm" mass="150.36" name="SM3P-SM3P" />
+    <Type class="EU3P" element="Eu" mass="151.96" name="EU3P-EU3P" />
+    <Type class="GD3P" element="Gd" mass="157.25" name="GD3P-GD3P" />
+    <Type class="TB3P" element="Tb" mass="158.93" name="TB3P-TB3P" />
+    <Type class="DY3P" element="Dy" mass="162.5" name="DY3P-DY3P" />
+    <Type class="HO3P" element="Ho" mass="164.93" name="HO3P-HO3P" />
+    <Type class="ER3P" element="Er" mass="167.28" name="ER3P-ER3P" />
+    <Type class="YB3P" element="Yb" mass="173.05" name="YB3P-YB3P" />
+    <Type class="LU3P" element="Lu" mass="174.97" name="LU3P-LU3P" />
+    <Type class="U3P" element="U" mass="238.03" name="U3P-U3P" />
+    <Type class="PU3P" element="Pu" mass="244.06" name="PU3P-PU3P" />
+    <Type class="TI3P" element="Ti" mass="47.867" name="TI3P-TI3P" />
+    <Type class="V3P" element="V" mass="50.942" name="V3P-V3P" />
+    <Type class="CR3P" element="Cr" mass="51.996" name="CR3P-CR3P" />
+    <Type class="MN3P" element="Mn" mass="54.938" name="MN3P-MN3P" />
+    <Type class="FE3P" element="Fe" mass="55.854" name="FE3P-FE3P" />
+    <Type class="CO3P" element="Co" mass="58.933" name="CO3P-CO3P" />
+    <Type class="GA3P" element="Ga" mass="69.723" name="GA3P-GA3P" />
+    <Type class="RH3P" element="Rh" mass="102.91" name="RH3P-RH3P" />
+    <Type class="IN3P" element="In" mass="114.82" name="IN3P-IN3P" />
+    <Type class="AU3P" element="Au" mass="196.97" name="AU3P-AU3P" />
+    <Type class="TL3P" element="Tl" mass="204.38" name="TL3P-TL3P" />
+    <Type class="BI3P" element="Bi" mass="208.98" name="BI3P-BI3P" />
+  </AtomTypes>
+  <Residues>
+    <Residue name="TIP3">
+      <Atom charge="-0.834" name="OH2" type="TIP3-OH2" />
+      <Atom charge="0.417" name="H1" type="TIP3-H1" />
+      <Atom charge="0.417" name="H2" type="TIP3-H2" />
+      <Bond atomName1="OH2" atomName2="H1" />
+      <Bond atomName1="OH2" atomName2="H2" />
+    </Residue>
+    <Residue name="OH">
+      <Atom charge="-1.32" name="O1" type="OH-O1" />
+      <Atom charge="0.32" name="H1" type="OH-H1" />
+      <Bond atomName1="O1" atomName2="H1" />
+    </Residue>
+    <Residue name="H2O2">
+      <Atom charge="0.41" name="HP1" type="H2O2-HP1" />
+      <Atom charge="-0.41" name="OP1" type="H2O2-OP1" />
+      <Atom charge="-0.41" name="OP2" type="H2O2-OP2" />
+      <Atom charge="0.41" name="HP2" type="H2O2-HP2" />
+      <Bond atomName1="HP1" atomName2="OP1" />
+      <Bond atomName1="OP1" atomName2="OP2" />
+      <Bond atomName1="OP2" atomName2="HP2" />
+    </Residue>
+    <Residue name="LIT">
+      <Atom charge="1.0" name="LIT" type="LIT-LIT" />
+    </Residue>
+    <Residue name="SOD">
+      <Atom charge="1.0" name="SOD" type="SOD-SOD" />
+    </Residue>
+    <Residue name="MG">
+      <Atom charge="2.0" name="MG" type="MG-MG" />
+    </Residue>
+    <Residue name="POT">
+      <Atom charge="1.0" name="POT" type="POT-POT" />
+    </Residue>
+    <Residue name="CAL">
+      <Atom charge="2.0" name="CAL" type="CAL-CAL" />
+    </Residue>
+    <Residue name="RUB">
+      <Atom charge="1.0" name="RUB" type="RUB-RUB" />
+    </Residue>
+    <Residue name="CES">
+      <Atom charge="1.0" name="CES" type="CES-CES" />
+    </Residue>
+    <Residue name="BAR">
+      <Atom charge="2.0" name="BAR" type="BAR-BAR" />
+    </Residue>
+    <Residue name="ZN2">
+      <Atom charge="2.0" name="ZN" type="ZN2-ZN" />
+    </Residue>
+    <Residue name="CD2">
+      <Atom charge="2.0" name="CD" type="CD2-CD" />
+    </Residue>
+    <Residue name="CLA">
+      <Atom charge="-1.0" name="CLA" type="CLA-CLA" />
+    </Residue>
+    <Residue name="CU1P">
+      <Atom charge="1.0" name="CU1P" type="CU1P-CU1P" />
+    </Residue>
+    <Residue name="AG1P">
+      <Atom charge="1.0" name="AG1P" type="AG1P-AG1P" />
+    </Residue>
+    <Residue name="AU1P">
+      <Atom charge="1.0" name="AU1P" type="AU1P-AU1P" />
+    </Residue>
+    <Residue name="TI1P">
+      <Atom charge="1.0" name="TI1P" type="TI1P-TI1P" />
+    </Residue>
+    <Residue name="BE2P">
+      <Atom charge="2.0" name="BE2P" type="BE2P-BE2P" />
+    </Residue>
+    <Residue name="SR2P">
+      <Atom charge="2.0" name="SR2P" type="SR2P-SR2P" />
+    </Residue>
+    <Residue name="RA2P">
+      <Atom charge="2.0" name="RA2P" type="RA2P-RA2P" />
+    </Residue>
+    <Residue name="V2P">
+      <Atom charge="2.0" name="V2P" type="V2P-V2P" />
+    </Residue>
+    <Residue name="CR2P">
+      <Atom charge="2.0" name="CR2P" type="CR2P-CR2P" />
+    </Residue>
+    <Residue name="MN2P">
+      <Atom charge="2.0" name="MN2P" type="MN2P-MN2P" />
+    </Residue>
+    <Residue name="FE2P">
+      <Atom charge="2.0" name="FE2P" type="FE2P-FE2P" />
+    </Residue>
+    <Residue name="CO2P">
+      <Atom charge="2.0" name="CO2P" type="CO2P-CO2P" />
+    </Residue>
+    <Residue name="NI2P">
+      <Atom charge="2.0" name="NI2P" type="NI2P-NI2P" />
+    </Residue>
+    <Residue name="CU2P">
+      <Atom charge="2.0" name="CU2P" type="CU2P-CU2P" />
+    </Residue>
+    <Residue name="PD2P">
+      <Atom charge="2.0" name="PD2P" type="PD2P-PD2P" />
+    </Residue>
+    <Residue name="AG2P">
+      <Atom charge="2.0" name="AG2P" type="AG2P-AG2P" />
+    </Residue>
+    <Residue name="SN2P">
+      <Atom charge="2.0" name="SN2P" type="SN2P-SN2P" />
+    </Residue>
+    <Residue name="PT2P">
+      <Atom charge="2.0" name="PT2P" type="PT2P-PT2P" />
+    </Residue>
+    <Residue name="HG2P">
+      <Atom charge="2.0" name="HG2P" type="HG2P-HG2P" />
+    </Residue>
+    <Residue name="PB2P">
+      <Atom charge="2.0" name="PB2P" type="PB2P-PB2P" />
+    </Residue>
+    <Residue name="SM2P">
+      <Atom charge="2.0" name="SM2P" type="SM2P-SM2P" />
+    </Residue>
+    <Residue name="EU2P">
+      <Atom charge="2.0" name="EU2P" type="EU2P-EU2P" />
+    </Residue>
+    <Residue name="YB2P">
+      <Atom charge="2.0" name="YB2P" type="YB2P-YB2P" />
+    </Residue>
+    <Residue name="AL3P">
+      <Atom charge="3.0" name="AL3P" type="AL3P-AL3P" />
+    </Residue>
+    <Residue name="SC3P">
+      <Atom charge="3.0" name="SC3P" type="SC3P-SC3P" />
+    </Residue>
+    <Residue name="Y3P">
+      <Atom charge="3.0" name="Y3P" type="Y3P-Y3P" />
+    </Residue>
+    <Residue name="LA3P">
+      <Atom charge="3.0" name="LA3P" type="LA3P-LA3P" />
+    </Residue>
+    <Residue name="CE3P">
+      <Atom charge="3.0" name="CE3P" type="CE3P-CE3P" />
+    </Residue>
+    <Residue name="PR3P">
+      <Atom charge="3.0" name="PR3P" type="PR3P-PR3P" />
+    </Residue>
+    <Residue name="ND3P">
+      <Atom charge="3.0" name="ND3P" type="ND3P-ND3P" />
+    </Residue>
+    <Residue name="PM3P">
+      <Atom charge="3.0" name="PM3P" type="PM3P-PM3P" />
+    </Residue>
+    <Residue name="SM3P">
+      <Atom charge="3.0" name="SM3P" type="SM3P-SM3P" />
+    </Residue>
+    <Residue name="EU3P">
+      <Atom charge="3.0" name="EU3P" type="EU3P-EU3P" />
+    </Residue>
+    <Residue name="GD3P">
+      <Atom charge="3.0" name="GD3P" type="GD3P-GD3P" />
+    </Residue>
+    <Residue name="TB3P">
+      <Atom charge="3.0" name="TB3P" type="TB3P-TB3P" />
+    </Residue>
+    <Residue name="DY3P">
+      <Atom charge="3.0" name="DY3P" type="DY3P-DY3P" />
+    </Residue>
+    <Residue name="HO3P">
+      <Atom charge="3.0" name="HO3P" type="HO3P-HO3P" />
+    </Residue>
+    <Residue name="ER3P">
+      <Atom charge="3.0" name="ER3P" type="ER3P-ER3P" />
+    </Residue>
+    <Residue name="YB3P">
+      <Atom charge="3.0" name="YB3P" type="YB3P-YB3P" />
+    </Residue>
+    <Residue name="LU3P">
+      <Atom charge="3.0" name="LU3P" type="LU3P-LU3P" />
+    </Residue>
+    <Residue name="U3P">
+      <Atom charge="3.0" name="U3P" type="U3P-U3P" />
+    </Residue>
+    <Residue name="PU3P">
+      <Atom charge="3.0" name="PU3P" type="PU3P-PU3P" />
+    </Residue>
+    <Residue name="TI3P">
+      <Atom charge="3.0" name="TI3P" type="TI3P-TI3P" />
+    </Residue>
+    <Residue name="V3P">
+      <Atom charge="3.0" name="V3P" type="V3P-V3P" />
+    </Residue>
+    <Residue name="CR3P">
+      <Atom charge="3.0" name="CR3P" type="CR3P-CR3P" />
+    </Residue>
+    <Residue name="MN3P">
+      <Atom charge="3.0" name="MN3P" type="MN3P-MN3P" />
+    </Residue>
+    <Residue name="FE3P">
+      <Atom charge="3.0" name="FE3P" type="FE3P-FE3P" />
+    </Residue>
+    <Residue name="CO3P">
+      <Atom charge="3.0" name="CO3P" type="CO3P-CO3P" />
+    </Residue>
+    <Residue name="GA3P">
+      <Atom charge="3.0" name="GA3P" type="GA3P-GA3P" />
+    </Residue>
+    <Residue name="RH3P">
+      <Atom charge="3.0" name="RH3P" type="RH3P-RH3P" />
+    </Residue>
+    <Residue name="IN3P">
+      <Atom charge="3.0" name="IN3P" type="IN3P-IN3P" />
+    </Residue>
+    <Residue name="AU3P">
+      <Atom charge="3.0" name="AU3P" type="AU3P-AU3P" />
+    </Residue>
+    <Residue name="TL3P">
+      <Atom charge="3.0" name="TL3P" type="TL3P-TL3P" />
+    </Residue>
+    <Residue name="BI3P">
+      <Atom charge="3.0" name="BI3P" type="BI3P-BI3P" />
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+  </Residues>
+  <HarmonicBondForce>
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+    <Bond class1="HT" class2="OT" k="376559.99999999994" length="0.09572000000000001" />
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+    <Bond class1="OPER" class2="OPER" k="238906.39999999997" length="0.1442" />
+  </HarmonicBondForce>
+  <HarmonicAngleForce>
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+  <AmoebaUreyBradleyForce />
+  <PeriodicTorsionForce>
+    <Proper class1="HPER" class2="OPER" class3="OPER" class4="HPER" k1="8.45168" periodicity1="2" phase1="0.0" />
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+    <NBFixPair class1="OC2DP" class2="SOD" epsilon="0.31388368000000005" sigma="0.28152399493234725" />
+    <NBFixPair class1="OG2D2" class2="SOD" epsilon="0.31388368000000005" sigma="0.2877602859593296" />
+    <NBFixPair class1="OG2P1" class2="SOD" epsilon="0.31388368000000005" sigma="0.28152399493234725" />
+    <NBFixPair class1="CLA" class2="LIT" epsilon="0.07824080000000001" sigma="0.3285189023142501" />
+    <NBFixPair class1="CLA" class2="SOD" epsilon="0.3510376" sigma="0.3323943117381606" />
+    <NBFixPair class1="CLA" class2="POT" epsilon="0.4778128" sigma="0.3635757668730725" />
+    <NBFixPair class1="OC" class2="POT" epsilon="0.4276048" sigma="0.3139527082726556" />
+    <NBFixPair class1="OCL" class2="POT" epsilon="0.4276048" sigma="0.3139527082726556" />
+    <NBFixPair class1="OC2D2" class2="POT" epsilon="0.4276048" sigma="0.3139527082726556" />
+    <NBFixPair class1="OG2D2" class2="POT" epsilon="0.4276048" sigma="0.3139527082726556" />
+    <NBFixPair class1="CAL" class2="CLA" epsilon="0.561342176" sigma="0.3320379522509045" />
+    <NBFixPair class1="CAL" class2="O2L" epsilon="0.50208" sigma="0.2900766226264945" />
+    <NBFixPair class1="CAL" class2="OC2DP" epsilon="0.50208" sigma="0.2900766226264945" />
+    <NBFixPair class1="CAL" class2="OG2P1" epsilon="0.50208" sigma="0.2900766226264945" />
+    <NBFixPair class1="CAL" class2="OCL" epsilon="0.50208" sigma="0.28793846570295767" />
+    <NBFixPair class1="CAL" class2="OC" epsilon="0.50208" sigma="0.28793846570295767" />
+    <NBFixPair class1="CAL" class2="OC2D2" epsilon="0.50208" sigma="0.28793846570295767" />
+    <NBFixPair class1="CAL" class2="OG2D2" epsilon="0.50208" sigma="0.28793846570295767" />
+  </LennardJonesForce>
+  <InitializationScript>
+EXPECTED_VERSION = "charmm36_2024"
+if hasattr(self, "_charmm_ff_version"):
+    if self._charmm_ff_version != EXPECTED_VERSION:
+        raise RuntimeError(f"CHARMM force field versions ({self._charmm_ff_version} and {EXPECTED_VERSION}) incompatible")
+else:
+    self._charmm_ff_version = EXPECTED_VERSION
+  </InitializationScript>
+</ForceField>
\ No newline at end of file
diff --git a/wrappers/python/openmm/app/data/charmm_polar_2023.xml b/wrappers/python/openmm/app/data/charmm_polar_2023.xml
index 133e9c8442..ac9e60b3c7 100644
--- a/wrappers/python/openmm/app/data/charmm_polar_2023.xml
+++ b/wrappers/python/openmm/app/data/charmm_polar_2023.xml
@@ -1,6 +1,6 @@
 <ForceField>
   <Info>
-    <DateGenerated>2025-02-27</DateGenerated>
+    <DateGenerated>2025-06-23</DateGenerated>
     <Source Source="toppar/drude/drude_toppar_2023/toppar_drude_main_protein_2023a.str" md5hash="f3c4caab3ff08e7b822f7b944db3f197" sourcePackage="drude" sourcePackageVersion="drude_toppar_2023.tgz">toppar/drude/drude_toppar_2023/toppar_drude_main_protein_2023a.str</Source>
     <Source Source="toppar/drude/drude_toppar_2023/toppar_drude_d_aminoacids_2023a.str" md5hash="192af93e684f3891df130182b8302c58" sourcePackage="drude" sourcePackageVersion="drude_toppar_2023.tgz">toppar/drude/drude_toppar_2023/toppar_drude_d_aminoacids_2023a.str</Source>
     <Source Source="toppar/drude/drude_toppar_2023/toppar_drude_carbohydrate_2023a.str" md5hash="6d8a686b8b5ecf19de7e598d928a7c1a" sourcePackage="drude" sourcePackageVersion="drude_toppar_2023.tgz">toppar/drude/drude_toppar_2023/toppar_drude_carbohydrate_2023a.str</Source>
@@ -9684,15 +9684,6 @@
     <Type class="DRUD" mass="0.0" name="Drude-GNTE-O" />
     <Type class="LPDO1" mass="0.0" name="GNTE-LPOA" />
     <Type class="LPDO1" mass="0.0" name="GNTE-LPOB" />
-    <Type class="ND3P3A" element="N" mass="14.007" name="GNTS-N" />
-    <Type class="DRUD" mass="0.0" name="Drude-GNTS-N" />
-    <Type class="HDP1B" element="H" mass="1.008" name="GNTS-HT1" />
-    <Type class="HDP1B" element="H" mass="1.008" name="GNTS-HT2" />
-    <Type class="HDP1B" element="H" mass="1.008" name="GNTS-HT3" />
-    <Type class="CD32C" element="C" mass="12.011" name="GNTS-CA" />
-    <Type class="DRUD" mass="0.0" name="Drude-GNTS-CA" />
-    <Type class="HDA2C" element="H" mass="1.008" name="GNTS-HA1" />
-    <Type class="HDA2C" element="H" mass="1.008" name="GNTS-HA2" />
     <Type class="ND3P2A" element="N" mass="14.007" name="PROP-N" />
     <Type class="DRUD" mass="0.0" name="Drude-PROP-N" />
     <Type class="HDP1B" element="H" mass="1.008" name="PROP-HT1" />
@@ -9855,17 +9846,6 @@
     <Type class="LPD" mass="0.0" name="CNEG-LPT2" />
     <Type class="LPD" mass="0.0" name="CNEG-LPT3" />
     <Type class="LPD" mass="0.0" name="CNEG-LPT4" />
-    <Type class="CD2O3A" element="C" mass="12.011" name="CNES-C" />
-    <Type class="DRUD" mass="0.0" name="Drude-CNES-C" />
-    <Type class="OD2C3A" element="O" mass="15.9994" name="CNES-OT1" />
-    <Type class="DRUD" mass="0.0" name="Drude-CNES-OT1" />
-    <Type class="OD31F" element="O" mass="15.9994" name="CNES-OT2" />
-    <Type class="DRUD" mass="0.0" name="Drude-CNES-OT2" />
-    <Type class="HDP1A" element="H" mass="1.008" name="CNES-HT" />
-    <Type class="LPD" mass="0.0" name="CNES-LPT1" />
-    <Type class="LPD" mass="0.0" name="CNES-LPT2" />
-    <Type class="LPD" mass="0.0" name="CNES-LPT3" />
-    <Type class="LPD" mass="0.0" name="CNES-LPT4" />
     <Type class="ND2A2" element="N" mass="14.007" name="CT1-N" />
     <Type class="DRUD" mass="0.0" name="Drude-CT1-N" />
     <Type class="HDP1A" element="H" mass="1.008" name="CT1-HN" />
@@ -9942,16 +9922,6 @@
     <Type class="HDP1A" element="H" mass="1.008" name="CT2G-HTC2" />
     <Type class="LPDO1" mass="0.0" name="CT2G-LPOA" />
     <Type class="LPDO1" mass="0.0" name="CT2G-LPOB" />
-    <Type class="CD2O1A" element="C" mass="12.011" name="CT2S-C" />
-    <Type class="DRUD" mass="0.0" name="Drude-CT2S-C" />
-    <Type class="OD2C1A" element="O" mass="15.9994" name="CT2S-O" />
-    <Type class="DRUD" mass="0.0" name="Drude-CT2S-O" />
-    <Type class="ND2A1" element="N" mass="14.007" name="CT2S-NT" />
-    <Type class="DRUD" mass="0.0" name="Drude-CT2S-NT" />
-    <Type class="HDP1A" element="H" mass="1.008" name="CT2S-HTC1" />
-    <Type class="HDP1A" element="H" mass="1.008" name="CT2S-HTC2" />
-    <Type class="LPDO1" mass="0.0" name="CT2S-LPOA" />
-    <Type class="LPDO1" mass="0.0" name="CT2S-LPOB" />
     <Type class="ND2A2" element="N" mass="14.007" name="CT3-NT" />
     <Type class="DRUD" mass="0.0" name="Drude-CT3-NT" />
     <Type class="HDP1A" element="H" mass="1.008" name="CT3-HNT" />
@@ -10059,6 +10029,15 @@
     <Type class="CD31DC" element="C" mass="12.011" name="DNTES-CA" />
     <Type class="DRUD" mass="0.0" name="Drude-DNTES-CA" />
     <Type class="HDA1C" element="H" mass="1.008" name="DNTES-HA" />
+    <Type class="ND3P3A" element="N" mass="14.007" name="DGNTS-N" />
+    <Type class="DRUD" mass="0.0" name="Drude-DGNTS-N" />
+    <Type class="HDP1B" element="H" mass="1.008" name="DGNTS-HT1" />
+    <Type class="HDP1B" element="H" mass="1.008" name="DGNTS-HT2" />
+    <Type class="HDP1B" element="H" mass="1.008" name="DGNTS-HT3" />
+    <Type class="CD32C" element="C" mass="12.011" name="DGNTS-CA" />
+    <Type class="DRUD" mass="0.0" name="Drude-DGNTS-CA" />
+    <Type class="HDA2C" element="H" mass="1.008" name="DGNTS-HA1" />
+    <Type class="HDA2C" element="H" mass="1.008" name="DGNTS-HA2" />
     <Type class="ND3P2A" element="N" mass="14.007" name="DPROP-N" />
     <Type class="DRUD" mass="0.0" name="Drude-DPROP-N" />
     <Type class="HDP1B" element="H" mass="1.008" name="DPROP-HT1" />
@@ -10169,6 +10148,17 @@
     <Type class="LPD" mass="0.0" name="DCNEU-LPT2" />
     <Type class="LPD" mass="0.0" name="DCNEU-LPT3" />
     <Type class="LPD" mass="0.0" name="DCNEU-LPT4" />
+    <Type class="CD2O3A" element="C" mass="12.011" name="DCNES-C" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCNES-C" />
+    <Type class="OD2C3A" element="O" mass="15.9994" name="DCNES-OT1" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCNES-OT1" />
+    <Type class="OD31F" element="O" mass="15.9994" name="DCNES-OT2" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCNES-OT2" />
+    <Type class="HDP1A" element="H" mass="1.008" name="DCNES-HT" />
+    <Type class="LPD" mass="0.0" name="DCNES-LPT1" />
+    <Type class="LPD" mass="0.0" name="DCNES-LPT2" />
+    <Type class="LPD" mass="0.0" name="DCNES-LPT3" />
+    <Type class="LPD" mass="0.0" name="DCNES-LPT4" />
     <Type class="ND2A2" element="N" mass="14.007" name="DCT1-N" />
     <Type class="DRUD" mass="0.0" name="Drude-DCT1-N" />
     <Type class="HDP1A" element="H" mass="1.008" name="DCT1-HN" />
@@ -10206,6 +10196,16 @@
     <Type class="HDP1A" element="H" mass="1.008" name="DCT2-HTC2" />
     <Type class="LPDO1" mass="0.0" name="DCT2-LPOA" />
     <Type class="LPDO1" mass="0.0" name="DCT2-LPOB" />
+    <Type class="CD2O1A" element="C" mass="12.011" name="DCT2S-C" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCT2S-C" />
+    <Type class="OD2C1A" element="O" mass="15.9994" name="DCT2S-O" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCT2S-O" />
+    <Type class="ND2A1" element="N" mass="14.007" name="DCT2S-NT" />
+    <Type class="DRUD" mass="0.0" name="Drude-DCT2S-NT" />
+    <Type class="HDP1A" element="H" mass="1.008" name="DCT2S-HTC1" />
+    <Type class="HDP1A" element="H" mass="1.008" name="DCT2S-HTC2" />
+    <Type class="LPDO1" mass="0.0" name="DCT2S-LPOA" />
+    <Type class="LPDO1" mass="0.0" name="DCT2S-LPOB" />
     <Type class="OD306A" element="O" mass="15.9994" name="OMEA-O5" />
     <Type class="DRUD" mass="0.0" name="Drude-OMEA-O5" />
     <Type class="CD31HA" element="C" mass="12.011" name="OMEA-C1" />
@@ -10414,10 +10414,8 @@
       <AllowPatch name="ACE_3" />
       <AllowPatch name="CTER_1" />
       <AllowPatch name="CNEU_1" />
-      <AllowPatch name="CNES_1" />
       <AllowPatch name="CT1_1" />
       <AllowPatch name="CT2_1" />
-      <AllowPatch name="CT2S_2" />
       <AllowPatch name="CT3_2" />
     </Residue>
     <Residue name="ALA">
@@ -10455,10 +10453,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="ARG">
@@ -10527,14 +10523,11 @@
       <ExternalBond atomName="N" />
       <ExternalBond atomName="C" />
       <AllowPatch name="NTER_1" />
-      <AllowPatch name="PROP_0" />
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="ASN">
@@ -10587,10 +10580,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="ASP">
@@ -10643,10 +10634,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
       <AllowPatch name="ASPP_0" />
     </Residue>
@@ -10692,10 +10681,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="GLN">
@@ -10755,10 +10742,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="GLU">
@@ -10818,10 +10803,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
       <AllowPatch name="GLUP_0" />
     </Residue>
@@ -10850,15 +10833,12 @@
       <ExternalBond atomName="N" />
       <ExternalBond atomName="C" />
       <AllowPatch name="GNTE_0" />
-      <AllowPatch name="GNTS_1" />
       <AllowPatch name="ACE_0" />
       <AllowPatch name="GNNU_0" />
       <AllowPatch name="CTEG_0" />
       <AllowPatch name="CNEG_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1G_0" />
       <AllowPatch name="CT2G_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="HSD">
@@ -10920,10 +10900,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
       <AllowPatch name="HS2_0" />
     </Residue>
@@ -10987,10 +10965,8 @@
       <AllowPatch name="NNEU_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="HSP">
@@ -11050,10 +11026,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="ILE">
@@ -11112,10 +11086,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="LEU">
@@ -11174,10 +11146,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="LYS">
@@ -11240,14 +11210,11 @@
       <ExternalBond atomName="N" />
       <ExternalBond atomName="C" />
       <AllowPatch name="NTER_1" />
-      <AllowPatch name="PROP_0" />
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
       <AllowPatch name="LSN_0" />
       <AllowPatch name="KAC_0" />
@@ -11308,10 +11275,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="PHE">
@@ -11378,10 +11343,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="PRO">
@@ -11429,8 +11392,6 @@
       <AllowPatch name="PROP_0" />
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTEP_0" />
-      <AllowPatch name="CNES_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="SER">
@@ -11475,10 +11436,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="THR">
@@ -11530,10 +11489,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="TRP">
@@ -11612,10 +11569,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="TYR">
@@ -11689,10 +11644,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="VAL">
@@ -11744,10 +11697,8 @@
       <AllowPatch name="ACE_0" />
       <AllowPatch name="CTER_0" />
       <AllowPatch name="CNEU_0" />
-      <AllowPatch name="CNES_0" />
       <AllowPatch name="CT1_0" />
       <AllowPatch name="CT2_0" />
-      <AllowPatch name="CT2S_1" />
       <AllowPatch name="CT3_1" />
     </Residue>
     <Residue name="ALLO">
@@ -12742,7 +12693,6 @@
       <VirtualSite atomName1="O" atomName2="CT" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPY1" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CT" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPY2" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_2" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
       <AllowPatch name="OMEA_0" />
       <AllowPatch name="1AOME_0" />
@@ -13003,7 +12953,6 @@
       <VirtualSite atomName1="O" atomName2="CT" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPY1" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CT" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPY2" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_2" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
       <AllowPatch name="OMEA_0" />
       <AllowPatch name="1AOME_0" />
@@ -13148,7 +13097,6 @@
       <VirtualSite atomName1="O9" atomName2="HO9" atomName3="C9" p1="-0.011970705016398403" p2="0.0005739964140425085" p3="0.032884232536689074" siteName="LP9A" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O9" atomName2="HO9" atomName3="C9" p1="-0.011970705016398403" p2="0.0005739964140425085" p3="-0.032884232536689074" siteName="LP9B" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_2" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="ETHA">
@@ -14583,7 +14531,6 @@
       <Bond atomName1="C" atomName2="O" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="BALD">
@@ -14621,7 +14568,6 @@
       <Bond atomName1="C" atomName2="O" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="IBLD">
@@ -14659,7 +14605,6 @@
       <Bond atomName1="C" atomName2="O" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="ACO">
@@ -14747,7 +14692,6 @@
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="HA" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="ACEM">
@@ -14777,7 +14721,6 @@
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="NMA">
@@ -14814,7 +14757,6 @@
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="NEA">
@@ -14858,7 +14800,6 @@
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="NPA">
@@ -14909,7 +14850,6 @@
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="DMA">
@@ -14953,7 +14893,6 @@
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="O" atomName2="CL" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <AllowPatch name="ACE_1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="THF">
@@ -16218,7 +16157,6 @@
       <Bond atomName1="CD" atomName2="HD2" />
       <Bond atomName1="CD" atomName2="N" />
       <Bond atomName1="N" atomName2="HN" />
-      <AllowPatch name="GNTS_0" />
       <AllowPatch name="ACE_1" />
     </Residue>
     <Residue name="MEOH">
@@ -17427,7 +17365,6 @@
       <VirtualSite atomName1="O" atomName2="C1" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LP1B" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPMA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPMB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="EAS">
@@ -17472,7 +17409,6 @@
       <VirtualSite atomName1="O" atomName2="C1" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LP1B" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPMA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPMB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="MPRO">
@@ -17517,7 +17453,6 @@
       <VirtualSite atomName1="O" atomName2="C1" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LP1B" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPMA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPMB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="MBU">
@@ -17569,7 +17504,6 @@
       <VirtualSite atomName1="O" atomName2="C1" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LP1B" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPMA" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OM" atomName2="C2" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPMB" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="FETH">
@@ -17890,7 +17824,6 @@
       <Bond atomName1="C" atomName2="H1" />
       <Bond atomName1="C" atomName2="H2" />
       <Bond atomName1="C" atomName2="H3" />
-      <AllowPatch name="CT2S_0" />
       <AllowPatch name="CT3_0" />
     </Residue>
     <Residue name="ETO">
@@ -21560,39 +21493,6 @@
       <RemoveBond atomName1="HN" atomName2="N" />
       <RemoveExternalBond atomName="N" />
     </Patch>
-    <Patch name="GNTS_0">
-      <AddAtom charge="0.34" name="HT1" type="GNTS-HT1" />
-      <AddAtom charge="0.34" name="HT2" type="GNTS-HT2" />
-      <AddAtom charge="0.34" name="HT3" type="GNTS-HT3" />
-      <AddBond atomName1="HT1" atomName2="N" />
-      <AddBond atomName1="HT2" atomName2="N" />
-      <AddBond atomName1="HT3" atomName2="N" />
-      <ChangeAtom charge="2.276158038387988" name="CA" type="GNTS-CA" />
-      <ChangeAtom charge="-2.233158038387988" name="DCA" type="Drude-GNTS-CA" />
-      <ChangeAtom charge="-1.9770909072094385" name="DN" type="Drude-GNTS-N" />
-      <ChangeAtom charge="0.143" name="HA1" type="GNTS-HA1" />
-      <ChangeAtom charge="0.143" name="HA2" type="GNTS-HA2" />
-      <ChangeAtom charge="1.6280909072094385" name="N" type="GNTS-N" />
-      <RemoveAtom name="HN" />
-      <RemoveBond atomName1="HN" atomName2="N" />
-    </Patch>
-    <Patch name="GNTS_1">
-      <AddAtom charge="0.34" name="HT1" type="GNTS-HT1" />
-      <AddAtom charge="0.34" name="HT2" type="GNTS-HT2" />
-      <AddAtom charge="0.34" name="HT3" type="GNTS-HT3" />
-      <AddBond atomName1="HT1" atomName2="N" />
-      <AddBond atomName1="HT2" atomName2="N" />
-      <AddBond atomName1="HT3" atomName2="N" />
-      <ChangeAtom charge="2.276158038387988" name="CA" type="GNTS-CA" />
-      <ChangeAtom charge="-2.233158038387988" name="DCA" type="Drude-GNTS-CA" />
-      <ChangeAtom charge="-1.9770909072094385" name="DN" type="Drude-GNTS-N" />
-      <ChangeAtom charge="0.143" name="HA1" type="GNTS-HA1" />
-      <ChangeAtom charge="0.143" name="HA2" type="GNTS-HA2" />
-      <ChangeAtom charge="1.6280909072094385" name="N" type="GNTS-N" />
-      <RemoveAtom name="HN" />
-      <RemoveBond atomName1="HN" atomName2="N" />
-      <RemoveExternalBond atomName="N" />
-    </Patch>
     <Patch name="PROP_0">
       <AddAtom charge="0.266" name="HT1" type="PROP-HT1" />
       <AddAtom charge="0.266" name="HT2" type="PROP-HT2" />
@@ -21978,57 +21878,6 @@
       <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPT3" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
       <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPT4" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
     </Patch>
-    <Patch name="CNES_0">
-      <AddAtom charge="-1.6663059805572336" name="DOT1" type="Drude-CNES-OT1" />
-      <AddAtom charge="-1.963334406026505" name="DOT2" type="Drude-CNES-OT2" />
-      <AddAtom charge="0.374" name="HT" type="CNES-HT" />
-      <AddAtom charge="-0.319" name="LPT1" type="CNES-LPT1" />
-      <AddAtom charge="-0.319" name="LPT2" type="CNES-LPT2" />
-      <AddAtom charge="-0.285" name="LPT3" type="CNES-LPT3" />
-      <AddAtom charge="-0.285" name="LPT4" type="CNES-LPT4" />
-      <AddAtom charge="1.6663059805572336" name="OT1" type="CNES-OT1" />
-      <AddAtom charge="1.963334406026505" name="OT2" type="CNES-OT2" />
-      <AddBond atomName1="C" atomName2="OT1" />
-      <AddBond atomName1="C" atomName2="OT2" />
-      <AddBond atomName1="HT" atomName2="OT2" />
-      <ChangeAtom charge="2.7405268573119237" name="C" type="CNES-C" />
-      <ChangeAtom charge="-1.9065268573119238" name="DC" type="Drude-CNES-C" />
-      <RemoveAtom name="DO" />
-      <RemoveAtom name="LPOA" />
-      <RemoveAtom name="LPOB" />
-      <RemoveAtom name="O" />
-      <RemoveBond atomName1="C" atomName2="O" />
-      <RemoveExternalBond atomName="C" />
-      <VirtualSite atomName1="OT1" atomName2="OT2" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPT1" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT1" atomName2="OT2" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPT2" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPT3" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPT4" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-    </Patch>
-    <Patch name="CNES_1">
-      <AddAtom charge="-1.6663059805572336" name="DOT1" type="Drude-CNES-OT1" />
-      <AddAtom charge="-1.963334406026505" name="DOT2" type="Drude-CNES-OT2" />
-      <AddAtom charge="0.374" name="HT" type="CNES-HT" />
-      <AddAtom charge="-0.319" name="LPT1" type="CNES-LPT1" />
-      <AddAtom charge="-0.319" name="LPT2" type="CNES-LPT2" />
-      <AddAtom charge="-0.285" name="LPT3" type="CNES-LPT3" />
-      <AddAtom charge="-0.285" name="LPT4" type="CNES-LPT4" />
-      <AddAtom charge="1.6663059805572336" name="OT1" type="CNES-OT1" />
-      <AddAtom charge="1.963334406026505" name="OT2" type="CNES-OT2" />
-      <AddBond atomName1="C" atomName2="OT1" />
-      <AddBond atomName1="C" atomName2="OT2" />
-      <AddBond atomName1="HT" atomName2="OT2" />
-      <ChangeAtom charge="2.7405268573119237" name="C" type="CNES-C" />
-      <ChangeAtom charge="-1.9065268573119238" name="DC" type="Drude-CNES-C" />
-      <RemoveAtom name="DO" />
-      <RemoveAtom name="LPOA" />
-      <RemoveAtom name="LPOB" />
-      <RemoveAtom name="O" />
-      <RemoveBond atomName1="C" atomName2="O" />
-      <VirtualSite atomName1="OT1" atomName2="OT2" atomName3="C" p1="-0.0005235721931185043" p2="-0.029995430854691738" p3="0" siteName="LPT1" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT1" atomName2="OT2" atomName3="C" p1="-0.0005235721931185043" p2="0.029995430854691738" p3="0" siteName="LPT2" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="0.03269217666591343" siteName="LPT3" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-      <VirtualSite atomName1="OT2" atomName2="HT" atomName3="C" p1="-0.012485829976186883" p2="0.0005706440663482743" p3="-0.03269217666591343" siteName="LPT4" type="localCoords" wo1="1" wo2="0" wo3="0" wx1="-1.0" wx2="0.0" wx3="1.0" wy1="0" wy2="-1" wy3="1" />
-    </Patch>
     <Patch name="CT1_0">
       <AddAtom charge="2.2962872001035097" name="CT" type="CT1-CT" />
       <AddAtom charge="-2.3262872001035095" name="DCT" type="Drude-CT1-CT" />
@@ -22211,51 +22060,6 @@
       <ChangeAtom charge="1.6675290868987966" name="O" type="CT2G-O" />
       <RemoveExternalBond atomName="C" />
     </Patch>
-    <Patch name="CT2S_0">
-      <AddAtom charge="-2.2739161182852508" name="DNT" type="Drude-CT2S-NT" />
-      <AddAtom charge="0.303" name="HTC1" type="CT2S-HTC1" />
-      <AddAtom charge="0.351" name="HTC2" type="CT2S-HTC2" />
-      <AddAtom charge="-0.411" name="LPOA" type="CT2S-LPOA" />
-      <AddAtom charge="-0.264" name="LPOB" type="CT2S-LPOB" />
-      <AddAtom charge="1.4919161182852507" name="NT" type="CT2S-NT" />
-      <AddBond atomName1="C" atomName2="NT" />
-      <AddBond atomName1="HTC1" atomName2="NT" />
-      <AddBond atomName1="HTC2" atomName2="NT" />
-      <ChangeAtom charge="2.951382122346228" name="C" type="CT2S-C" />
-      <ChangeAtom charge="-2.1833821223462277" name="DC" type="Drude-CT2S-C" />
-      <ChangeAtom charge="-1.6325290868987967" name="DO" type="Drude-CT2S-O" />
-      <ChangeAtom charge="1.6675290868987966" name="O" type="CT2S-O" />
-    </Patch>
-    <Patch name="CT2S_1">
-      <AddAtom charge="-2.2739161182852508" name="DNT" type="Drude-CT2S-NT" />
-      <AddAtom charge="0.303" name="HTC1" type="CT2S-HTC1" />
-      <AddAtom charge="0.351" name="HTC2" type="CT2S-HTC2" />
-      <AddAtom charge="1.4919161182852507" name="NT" type="CT2S-NT" />
-      <AddBond atomName1="C" atomName2="NT" />
-      <AddBond atomName1="HTC1" atomName2="NT" />
-      <AddBond atomName1="HTC2" atomName2="NT" />
-      <ChangeAtom charge="2.951382122346228" name="C" type="CT2S-C" />
-      <ChangeAtom charge="-2.1833821223462277" name="DC" type="Drude-CT2S-C" />
-      <ChangeAtom charge="-1.6325290868987967" name="DO" type="Drude-CT2S-O" />
-      <ChangeAtom charge="-0.411" name="LPOA" type="CT2S-LPOA" />
-      <ChangeAtom charge="-0.264" name="LPOB" type="CT2S-LPOB" />
-      <ChangeAtom charge="1.6675290868987966" name="O" type="CT2S-O" />
-      <RemoveExternalBond atomName="C" />
-    </Patch>
-    <Patch name="CT2S_2">
-      <AddBond atomName1="HTC1" atomName2="NT" />
-      <AddBond atomName1="HTC2" atomName2="NT" />
-      <ChangeAtom charge="2.951382122346228" name="C" type="CT2S-C" />
-      <ChangeAtom charge="-2.1833821223462277" name="DC" type="Drude-CT2S-C" />
-      <ChangeAtom charge="-2.2739161182852508" name="DNT" type="Drude-CT2S-NT" />
-      <ChangeAtom charge="-1.6325290868987967" name="DO" type="Drude-CT2S-O" />
-      <ChangeAtom charge="0.303" name="HTC1" type="CT2S-HTC1" />
-      <ChangeAtom charge="0.351" name="HTC2" type="CT2S-HTC2" />
-      <ChangeAtom charge="-0.411" name="LPOA" type="CT2S-LPOA" />
-      <ChangeAtom charge="-0.264" name="LPOB" type="CT2S-LPOB" />
-      <ChangeAtom charge="1.4919161182852507" name="NT" type="CT2S-NT" />
-      <ChangeAtom charge="1.6675290868987966" name="O" type="CT2S-O" />
-    </Patch>
     <Patch name="CT3_0">
       <AddAtom charge="2.166666003079377" name="CAT" type="CT3-CAT" />
       <AddAtom charge="-2.221666003079377" name="DCAT" type="Drude-CT3-CAT" />
@@ -30342,8 +30146,6 @@
     <Particle charge="-2.233158038387988" polarizability="0.0016560000000000004" thole="0.895" type1="Drude-GNTE-CA" type2="GNTE-CA" />
     <Particle charge="-1.3653205186135353" polarizability="0.0006190000000000002" thole="0.317" type1="Drude-GNTE-C" type2="GNTE-C" />
     <Particle charge="-1.3204701080914898" polarizability="0.0005790000000000001" thole="0.37" type1="Drude-GNTE-O" type2="GNTE-O" />
-    <Particle charge="-1.9770909072094385" polarizability="0.0012980000000000003" thole="0.895" type1="Drude-GNTS-N" type2="GNTS-N" />
-    <Particle charge="-2.233158038387988" polarizability="0.0016560000000000004" thole="0.895" type1="Drude-GNTS-CA" type2="GNTS-CA" />
     <Particle charge="-2.1104417974686633" polarizability="0.0014790000000000005" thole="0.111" type1="Drude-PROP-N" type2="PROP-N" />
     <Particle charge="-2.179931223836688" polarizability="0.0015780000000000004" thole="1.429" type1="Drude-PROP-CD" type2="PROP-CD" />
     <Particle charge="-2.179931223836688" polarizability="0.0015780000000000004" thole="1.429" type1="Drude-PROP-CA" type2="PROP-CA" />
@@ -30390,9 +30192,6 @@
     <Particle charge="-1.9065268573119238" polarizability="0.0012070000000000004" thole="0.708" type1="Drude-CNEG-C" type2="CNEG-C" />
     <Particle charge="-1.6663059805572336" polarizability="0.0009220000000000003" thole="1.539" type1="Drude-CNEG-OT1" type2="CNEG-OT1" />
     <Particle charge="-1.963334406026505" polarizability="0.0012800000000000003" thole="1.124" type1="Drude-CNEG-OT2" type2="CNEG-OT2" />
-    <Particle charge="-1.9065268573119238" polarizability="0.0012070000000000004" thole="0.708" type1="Drude-CNES-C" type2="CNES-C" />
-    <Particle charge="-1.6663059805572336" polarizability="0.0009220000000000003" thole="1.539" type1="Drude-CNES-OT1" type2="CNES-OT1" />
-    <Particle charge="-1.963334406026505" polarizability="0.0012800000000000003" thole="1.124" type1="Drude-CNES-OT2" type2="CNES-OT2" />
     <Particle charge="-2.4183207668819215" polarizability="0.0019420000000000004" thole="0.25" type1="Drude-CT1-N" type2="CT1-N" />
     <Particle charge="-1.700297471742985" polarizability="0.0009600000000000002" thole="1.078" type1="Drude-CT1-CA" type2="CT1-CA" />
     <Particle charge="-2.031185446309965" polarizability="0.0013700000000000003" thole="1.747" type1="Drude-CT1-C" type2="CT1-C" />
@@ -30415,9 +30214,6 @@
     <Particle charge="-2.1833821223462277" polarizability="0.0015830000000000004" thole="1.095" type1="Drude-CT2G-C" type2="CT2G-C" />
     <Particle charge="-1.6325290868987967" polarizability="0.0008850000000000003" thole="1.227" type1="Drude-CT2G-O" type2="CT2G-O" />
     <Particle charge="-2.2739161182852508" polarizability="0.0017170000000000004" thole="1.132" type1="Drude-CT2G-NT" type2="CT2G-NT" />
-    <Particle charge="-2.1833821223462277" polarizability="0.0015830000000000004" thole="1.095" type1="Drude-CT2S-C" type2="CT2S-C" />
-    <Particle charge="-1.6325290868987967" polarizability="0.0008850000000000003" thole="1.227" type1="Drude-CT2S-O" type2="CT2S-O" />
-    <Particle charge="-2.2739161182852508" polarizability="0.0017170000000000004" thole="1.132" type1="Drude-CT2S-NT" type2="CT2S-NT" />
     <Particle charge="-2.4183207668819215" polarizability="0.0019420000000000004" thole="0.25" type1="Drude-CT3-NT" type2="CT3-NT" />
     <Particle charge="-2.221666003079377" polarizability="0.0016390000000000005" thole="2.122" type1="Drude-CT3-CAT" type2="CT3-CAT" />
     <Particle charge="-2.5231425294508214" polarizability="0.0021140000000000004" thole="0.75" type1="Drude-ASPP-CB" type2="ASPP-CB" />
@@ -30447,6 +30243,8 @@
     <Particle charge="-1.3204701080914898" polarizability="0.0005790000000000001" thole="0.37" type1="Drude-DNTER-O" type2="DNTER-O" />
     <Particle charge="-1.9770909072094385" polarizability="0.0012980000000000003" thole="0.895" type1="Drude-DNTES-N" type2="DNTES-N" />
     <Particle charge="-2.233158038387988" polarizability="0.0016560000000000004" thole="0.895" type1="Drude-DNTES-CA" type2="DNTES-CA" />
+    <Particle charge="-1.9770909072094385" polarizability="0.0012980000000000003" thole="0.895" type1="Drude-DGNTS-N" type2="DGNTS-N" />
+    <Particle charge="-2.233158038387988" polarizability="0.0016560000000000004" thole="0.895" type1="Drude-DGNTS-CA" type2="DGNTS-CA" />
     <Particle charge="-2.1104417974686633" polarizability="0.0014790000000000005" thole="0.111" type1="Drude-DPROP-N" type2="DPROP-N" />
     <Particle charge="-2.179931223836688" polarizability="0.0015780000000000004" thole="1.429" type1="Drude-DPROP-CD" type2="DPROP-CD" />
     <Particle charge="-2.179931223836688" polarizability="0.0015780000000000004" thole="1.429" type1="Drude-DPROP-CA" type2="DPROP-CA" />
@@ -30479,6 +30277,9 @@
     <Particle charge="-1.9065268573119238" polarizability="0.0012070000000000004" thole="0.708" type1="Drude-DCNEU-C" type2="DCNEU-C" />
     <Particle charge="-1.6663059805572336" polarizability="0.0009220000000000003" thole="1.539" type1="Drude-DCNEU-OT1" type2="DCNEU-OT1" />
     <Particle charge="-1.963334406026505" polarizability="0.0012800000000000003" thole="1.124" type1="Drude-DCNEU-OT2" type2="DCNEU-OT2" />
+    <Particle charge="-1.9065268573119238" polarizability="0.0012070000000000004" thole="0.708" type1="Drude-DCNES-C" type2="DCNES-C" />
+    <Particle charge="-1.6663059805572336" polarizability="0.0009220000000000003" thole="1.539" type1="Drude-DCNES-OT1" type2="DCNES-OT1" />
+    <Particle charge="-1.963334406026505" polarizability="0.0012800000000000003" thole="1.124" type1="Drude-DCNES-OT2" type2="DCNES-OT2" />
     <Particle charge="-2.4183207668819215" polarizability="0.0019420000000000004" thole="0.25" type1="Drude-DCT1-N" type2="DCT1-N" />
     <Particle charge="-1.700297471742985" polarizability="0.0009600000000000002" thole="1.078" type1="Drude-DCT1-CA" type2="DCT1-CA" />
     <Particle charge="-2.031185446309965" polarizability="0.0013700000000000003" thole="1.747" type1="Drude-DCT1-C" type2="DCT1-C" />
@@ -30490,6 +30291,9 @@
     <Particle charge="-2.1833821223462277" polarizability="0.0015830000000000004" thole="1.095" type1="Drude-DCT2-C" type2="DCT2-C" />
     <Particle charge="-1.6325290868987967" polarizability="0.0008850000000000003" thole="1.227" type1="Drude-DCT2-O" type2="DCT2-O" />
     <Particle charge="-2.2739161182852508" polarizability="0.0017170000000000004" thole="1.132" type1="Drude-DCT2-NT" type2="DCT2-NT" />
+    <Particle charge="-2.1833821223462277" polarizability="0.0015830000000000004" thole="1.095" type1="Drude-DCT2S-C" type2="DCT2S-C" />
+    <Particle charge="-1.6325290868987967" polarizability="0.0008850000000000003" thole="1.227" type1="Drude-DCT2S-O" type2="DCT2S-O" />
+    <Particle charge="-2.2739161182852508" polarizability="0.0017170000000000004" thole="1.132" type1="Drude-DCT2S-NT" type2="DCT2S-NT" />
     <Particle charge="-1.233204161452102" polarizability="0.0005050000000000001" thole="0.907" type1="Drude-OMEA-O5" type2="OMEA-O5" />
     <Particle charge="-1.7353588402977551" polarizability="0.0010000000000000002" thole="0.487" type1="Drude-OMEA-C1" type2="OMEA-C1" />
     <Particle charge="-1.230759750403621" polarizability="0.0005030000000000001" thole="0.443" type1="Drude-OMEA-O1" type2="OMEA-O1" />
@@ -30510,15 +30314,556 @@
 import math
 import openmm
 
-residue_impropers = {'ALAD': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))), 'ALA': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'ARG': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'ASN': (((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'HD21'), (0, 'HD22'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'ASP': (((0, 'OD1'), (0, 'CB'), (0, 'OD2'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'CYS': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'GLN': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'HE21'), (0, 'HE22'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'GLU': (((0, 'OE1'), (0, 'CG'), (0, 'OE2'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'GLY': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'HSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'HSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))), 'HSP': (((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CD2'), (0, 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-patch_impropers = {'ACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))), 'ACP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))), 'CTER': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'CTEG': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'CTEP': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'CNEU': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'CNEG': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'CNES': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'CT1': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),), 'CT1G': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),), 'CT2': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'CT2G': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'CT2S': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'CT3': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))), 'LINK': (((0, '3N'), (0, '2C'), (0, '3CA'), (0, '3HN')), ((0, '2C'), (0, '2CA'), (0, '3N'), (0, '2O'))), 'HS2': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')),), 'KAC': (((0, 'NZ'), (0, 'CH'), (0, 'CE'), (0, 'HZ')), ((0, 'CH'), (0, 'CH3'), (0, 'NZ'), (0, 'OH'))), 'DACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))), 'DACP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))), 'DCTER': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'DCTEG': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'DCTEP': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'DCTES': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),), 'DCNEU': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'DCNEG': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'DCNES': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),), 'DCT1': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),), 'DCT1G': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),), 'DCT2': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'DCT2G': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'DCT2S': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))), 'DCT3': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT')))}
-delete_impropers = {}
+residue_impropers = {
+    'ALAD': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))),
+    'ALA': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ARG': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ASN': (((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'HD21'), (0, 'HD22'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ASP': (((0, 'OD1'), (0, 'CB'), (0, 'OD2'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'CYS': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'GLN': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'HE21'), (0, 'HE22'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'GLU': (((0, 'OE1'), (0, 'CG'), (0, 'OE2'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'GLY': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'HSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'HSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'HSP': (((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ILE': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'LEU': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'LYS': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'MET': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'PHE': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'PRO': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'CD'))),
+    'SER': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'THR': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'TRP': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'TYR': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'VAL': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ALDD': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN')), ((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))),
+    'DALA': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DARG': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DASN': (((0, 'CG'), (0, 'CB'), (0, 'ND2'), (0, 'OD1')), ((0, 'ND2'), (0, 'HD21'), (0, 'HD22'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DASP': (((0, 'OD1'), (0, 'CB'), (0, 'OD2'), (0, 'CG')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DCYS': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DGLN': (((0, 'CD'), (0, 'CG'), (0, 'NE2'), (0, 'OE1')), ((0, 'NE2'), (0, 'HE21'), (0, 'HE22'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DGLU': (((0, 'OE1'), (0, 'CG'), (0, 'OE2'), (0, 'CD')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DGLY': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DHSD': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DHSE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DHSP': (((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DILE': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DLEU': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DLYS': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DMET': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DPHE': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DPRO': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'CD'))),
+    'DSER': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DTHR': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DTRP': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DTYR': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'DVAL': (((0, 'C'), (0, 'CA'), (1, 'N'), (0, 'O')), ((0, 'N'), (-1, 'C'), (0, 'CA'), (0, 'HN'))),
+    'ALLO': (((0, 'C1'), (0, 'H1'), (0, 'C2'), (0, 'O1')),),
+    'PSIC': (((0, 'C2'), (0, 'C1'), (0, 'C3'), (0, 'O2')),),
+    'AGALA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BGALA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AGLCA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BGLCA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AIDOA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'BIDOA': (((0, 'C6'), (0, 'C5'), (0, 'O62'), (0, 'O61')),),
+    'AGLCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGLCNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AGALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BGALNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'AMANNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BMANNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ARHMNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'BRHMNA': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C2'), (0, 'HN'))),
+    'ANE5AC': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN')), ((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11'))),
+    'BNE5AC': (((0, 'C'), (0, 'CT'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'C5'), (0, 'HN')), ((0, 'C1'), (0, 'C2'), (0, 'O12'), (0, 'O11'))),
+    '2BTE': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2')), ((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3'))),
+    '2BTD': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2')), ((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3'))),
+    '2PTE': (((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3')), ((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2'))),
+    '2PTD': (((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3')), ((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2'))),
+    '2HEX': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2')), ((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3'))),
+    '2HED': (((0, 'C2'), (0, 'C3'), (0, 'C1'), (0, 'H2')), ((0, 'C3'), (0, 'C2'), (0, 'C4'), (0, 'H3'))),
+    '3HEX': (((0, 'C3'), (0, 'C4'), (0, 'C2'), (0, 'H3')), ((0, 'C4'), (0, 'C3'), (0, 'C5'), (0, 'H4'))),
+    '3HED': (((0, 'C3'), (0, 'C4'), (0, 'C2'), (0, 'H3')), ((0, 'C4'), (0, 'C3'), (0, 'C5'), (0, 'H4'))),
+    '5DEC': (((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'H5')), ((0, 'C6'), (0, 'C5'), (0, 'C7'), (0, 'H6'))),
+    '5DED': (((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'H5')), ((0, 'C6'), (0, 'C5'), (0, 'C7'), (0, 'H6'))),
+    'AALD': (((0, 'C'), (0, 'HA'), (0, 'CB'), (0, 'O')),),
+    'PALD': (((0, 'C'), (0, 'HA'), (0, 'CB'), (0, 'O')),),
+    'BALD': (((0, 'C'), (0, 'HA'), (0, 'CB'), (0, 'O')),),
+    'IBLD': (((0, 'C'), (0, 'HA'), (0, 'CB'), (0, 'O')),),
+    'ACO': (((0, 'C1'), (0, 'C2'), (0, 'C3'), (0, 'O1')),),
+    'BTON': (((0, 'C1'), (0, 'C2'), (0, 'C3'), (0, 'O1')),),
+    'FORM': (((0, 'C'), (0, 'N'), (0, 'O'), (0, 'HA')),),
+    'ACEM': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'HC'), (0, 'HT'), (0, 'C'))),
+    'NMA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'CC'), (0, 'H'))),
+    'NEA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'CC'), (0, 'H'))),
+    'NPA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')), ((0, 'N'), (0, 'C'), (0, 'CC'), (0, 'H'))),
+    'DMA': (((0, 'C'), (0, 'CL'), (0, 'N'), (0, 'O')),),
+    'IMID': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CD2'), (0, 'NE2'), (0, 'CG'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CE1'), (0, 'NE2'), (0, 'ND1'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CG'), (0, 'ND1'), (0, 'CD2'), (0, 'HG'))),
+    '4MIM': (((0, 'ND1'), (0, 'CG'), (0, 'CE1'), (0, 'HD1')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1'))),
+    '4MIE': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1'))),
+    'INDO': (((0, 'HZ2'), (0, 'CH2'), (0, 'CE2'), (0, 'CZ2')), ((0, 'HZ2'), (0, 'CE2'), (0, 'CH2'), (0, 'CZ2')), ((0, 'HE3'), (0, 'CD2'), (0, 'CZ3'), (0, 'CE3')), ((0, 'HE3'), (0, 'CZ3'), (0, 'CD2'), (0, 'CE3')), ((0, 'HG'), (0, 'CD2'), (0, 'CD1'), (0, 'CG')), ((0, 'HG'), (0, 'CD1'), (0, 'CD2'), (0, 'CG')), ((0, 'HD1'), (0, 'CG'), (0, 'NE1'), (0, 'CD1')), ((0, 'HD1'), (0, 'NE1'), (0, 'CG'), (0, 'CD1')), ((0, 'HE1'), (0, 'CE2'), (0, 'CD1'), (0, 'NE1')), ((0, 'HE1'), (0, 'CD1'), (0, 'CE2'), (0, 'NE1'))),
+    'PUR0': (((0, 'N9'), (0, 'C4'), (0, 'C8'), (0, 'H9')), ((0, 'N9'), (0, 'C8'), (0, 'C4'), (0, 'H9')), ((0, 'C8'), (0, 'N9'), (0, 'N7'), (0, 'H8')), ((0, 'C8'), (0, 'N7'), (0, 'N9'), (0, 'H8')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'N7')), ((0, 'C5'), (0, 'C6'), (0, 'C4'), (0, 'N7')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N9')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N9'))),
+    'PUR1': (((0, 'N9'), (0, 'C5'), (0, 'C8'), (0, 'H9')), ((0, 'N9'), (0, 'C8'), (0, 'C5'), (0, 'H9')), ((0, 'C8'), (0, 'N9'), (0, 'N7'), (0, 'H8')), ((0, 'C8'), (0, 'N7'), (0, 'N9'), (0, 'H8')), ((0, 'C5'), (0, 'C4'), (0, 'C6'), (0, 'N9')), ((0, 'C5'), (0, 'C6'), (0, 'C4'), (0, 'N9')), ((0, 'C4'), (0, 'C5'), (0, 'N3'), (0, 'N7')), ((0, 'C4'), (0, 'N3'), (0, 'C5'), (0, 'N7'))),
+    'MIND': (((0, 'HZ2'), (0, 'CH2'), (0, 'CE2'), (0, 'CZ2')), ((0, 'HZ2'), (0, 'CE2'), (0, 'CH2'), (0, 'CZ2')), ((0, 'HE3'), (0, 'CD2'), (0, 'CZ3'), (0, 'CE3')), ((0, 'HE3'), (0, 'CZ3'), (0, 'CD2'), (0, 'CE3')), ((0, 'HD1'), (0, 'CG'), (0, 'NE1'), (0, 'CD1')), ((0, 'HD1'), (0, 'NE1'), (0, 'CG'), (0, 'CD1')), ((0, 'HE1'), (0, 'CE2'), (0, 'CD1'), (0, 'NE1')), ((0, 'HE1'), (0, 'CD1'), (0, 'CE2'), (0, 'NE1'))),
+    'ACET': (((0, 'O1'), (0, 'C1'), (0, 'O2'), (0, 'C2')),),
+    'GUAN': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'N3')),),
+    'MGUAN': (((0, 'C'), (0, 'N2'), (0, 'N1'), (0, 'N3')),),
+    'BGUAN': (((0, 'CZ'), (0, 'NH1'), (0, 'NH2'), (0, 'NE')),),
+    'IMIM': (((0, 'ND1'), (0, 'CE1'), (0, 'CG'), (0, 'HD1')), ((0, 'NE2'), (0, 'CE1'), (0, 'CD2'), (0, 'HE2')), ((0, 'CE1'), (0, 'ND1'), (0, 'NE2'), (0, 'HE1')), ((0, 'CG'), (0, 'CD2'), (0, 'ND1'), (0, 'HG')), ((0, 'CD2'), (0, 'CG'), (0, 'NE2'), (0, 'HD2'))),
+    'ACEH': (((0, 'O2'), (0, 'C1'), (0, 'O1'), (0, 'C2')),),
+    'MAS': (((0, 'O'), (0, 'C1'), (0, 'OM'), (0, 'C')),),
+    'EAS': (((0, 'O'), (0, 'C1'), (0, 'OM'), (0, 'C')),),
+    'MPRO': (((0, 'O'), (0, 'C1'), (0, 'OM'), (0, 'C')),),
+    'MBU': (((0, 'O'), (0, 'C1'), (0, 'OM'), (0, 'C')),),
+    'GLYC': (((0, 'O6'), (0, 'C7'), (0, 'O4'), (0, 'C5')), ((0, 'O10'), (0, 'C11'), (0, 'O8'), (0, 'C9'))),
+    'GLYP': (((0, 'O6'), (0, 'C7'), (0, 'O4'), (0, 'C5')), ((0, 'O10'), (0, 'C11'), (0, 'O8'), (0, 'C9'))),
+    'PRPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DMPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DSPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DOPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C29'), (0, 'C210'), (0, 'C28'), (0, 'H9R')), ((0, 'C210'), (0, 'C29'), (0, 'C211'), (0, 'H10R')), ((0, 'C39'), (0, 'C310'), (0, 'C38'), (0, 'H9X')), ((0, 'C310'), (0, 'C39'), (0, 'C311'), (0, 'H10X'))),
+    'DLPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'DPPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+    'POPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C29'), (0, 'C210'), (0, 'C28'), (0, 'H91')), ((0, 'C210'), (0, 'C29'), (0, 'C211'), (0, 'H101'))),
+    'DOPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C29'), (0, 'C210'), (0, 'C28'), (0, 'H9R')), ((0, 'C210'), (0, 'C29'), (0, 'C211'), (0, 'H10R')), ((0, 'C39'), (0, 'C310'), (0, 'C38'), (0, 'H9X')), ((0, 'C310'), (0, 'C39'), (0, 'C311'), (0, 'H10X'))),
+    'POPE': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32')), ((0, 'C29'), (0, 'C210'), (0, 'C28'), (0, 'H91')), ((0, 'C210'), (0, 'C29'), (0, 'C211'), (0, 'H101'))),
+    'DLPC': (((0, 'C21'), (0, 'O21'), (0, 'C22'), (0, 'O22')), ((0, 'C31'), (0, 'O31'), (0, 'C32'), (0, 'O32'))),
+}
+patch_impropers = {
+    'ACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))),
+    'ACP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))),
+    'CTER': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'CTEG': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'CTEP': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'CNEU': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'CNEG': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'CT1': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),),
+    'CT1G': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),),
+    'CT2': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))),
+    'CT2G': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))),
+    'CT3': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))),
+    'LINK': (((0, '3N'), (0, '2C'), (0, '3CA'), (0, '3HN')), ((0, '2C'), (0, '2CA'), (0, '3N'), (0, '2O'))),
+    'HS2': (((0, 'NE2'), (0, 'CD2'), (0, 'CE1'), (0, 'HE2')),),
+    'KAC': (((0, 'NZ'), (0, 'CH'), (0, 'CE'), (0, 'HZ')), ((0, 'CH'), (0, 'CH3'), (0, 'NZ'), (0, 'OH'))),
+    'DACE': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'HN'))),
+    'DACP': (((0, 'CY'), (0, 'CAY'), (0, 'N'), (0, 'OY')), ((0, 'N'), (0, 'CY'), (0, 'CA'), (0, 'CD'))),
+    'DCTER': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'DCTEG': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'DCTEP': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'DCTES': (((0, 'C'), (0, 'OT1'), (0, 'OT2'), (0, 'CA')),),
+    'DCNEU': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'DCNEG': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'DCNES': (((0, 'OT1'), (0, 'CA'), (0, 'OT2'), (0, 'C')),),
+    'DCT1': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),),
+    'DCT1G': (((0, 'C'), (0, 'OT2'), (0, 'CA'), (0, 'OT1')),),
+    'DCT2': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))),
+    'DCT2G': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))),
+    'DCT2S': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'HTC1'), (0, 'HTC2'), (0, 'C'))),
+    'DCT3': (((0, 'C'), (0, 'CA'), (0, 'NT'), (0, 'O')), ((0, 'NT'), (0, 'C'), (0, 'CAT'), (0, 'HNT'))),
+}
+delete_impropers = {
+}
 
-residue_order = {'ALAD': 0, 'ALA': 1, 'ARG': 2, 'ASN': 3, 'ASP': 4, 'CYS': 5, 'GLN': 6, 'GLU': 7, 'GLY': 8, 'HSD': 9, 'HSE': 10, 'HSP': 11, 'ILE': 12, 'LEU': 13, 'LYS': 14, 'MET': 15, 'PHE': 16, 'PRO': 17, 'SER': 18, 'THR': 19, 'TRP': 20, 'TYR': 21, 'VAL': 22, 'ALDD': 23, 'DALA': 24, 'DARG': 25, 'DASN': 26, 'DASP': 27, 'DCYS': 28, 'DGLN': 29, 'DGLU': 30, 'DGLY': 31, 'DHSD': 32, 'DHSE': 33, 'DHSP': 34, 'DILE': 35, 'DLEU': 36, 'DLYS': 37, 'DMET': 38, 'DPHE': 39, 'DPRO': 40, 'DSER': 41, 'DTHR': 42, 'DTRP': 43, 'DTYR': 44, 'DVAL': 45, 'ALLO': 46, 'PSIC': 47, 'AGALA': 48, 'BGALA': 49, 'AGLCA': 50, 'BGLCA': 51, 'AIDOA': 52, 'BIDOA': 53, 'AGLCNA': 54, 'BGLCNA': 55, 'AGALNA': 56, 'BGALNA': 57, 'AMANNA': 58, 'BMANNA': 59, 'ARHMNA': 60, 'BRHMNA': 61, 'ANE5AC': 62, 'BNE5AC': 63, '2BTE': 64, '2BTD': 65, '2PTE': 66, '2PTD': 67, '2HEX': 68, '2HED': 69, '3HEX': 70, '3HED': 71, '5DEC': 72, '5DED': 73, 'AALD': 74, 'PALD': 75, 'BALD': 76, 'IBLD': 77, 'ACO': 78, 'BTON': 79, 'FORM': 80, 'ACEM': 81, 'NMA': 82, 'NEA': 83, 'NPA': 84, 'DMA': 85, 'IMID': 86, '4MIM': 87, '4MIE': 88, 'INDO': 89, 'PUR0': 90, 'PUR1': 91, 'MIND': 92, 'ACET': 93, 'GUAN': 94, 'MGUAN': 95, 'BGUAN': 96, 'IMIM': 97, 'ACEH': 98, 'MAS': 99, 'EAS': 100, 'MPRO': 101, 'MBU': 102, 'GLYC': 103, 'GLYP': 104, 'PRPC': 105, 'DMPC': 106, 'DPPC': 107, 'DSPC': 108, 'DOPC': 109, 'DLPE': 110, 'DPPE': 111, 'POPC': 112, 'DOPE': 113, 'POPE': 114, 'DLPC': 115}
-patch_order = {'ACE': 0, 'ACP': 1, 'CTER': 2, 'CTEG': 3, 'CTEP': 4, 'CNEU': 5, 'CNEG': 6, 'CNES': 7, 'CT1': 8, 'CT1G': 9, 'CT2': 10, 'CT2G': 11, 'CT2S': 12, 'CT3': 13, 'LINK': 14, 'HS2': 15, 'KAC': 16, 'DACE': 17, 'DACP': 18, 'DCTER': 19, 'DCTEG': 20, 'DCTEP': 21, 'DCTES': 22, 'DCNEU': 23, 'DCNEG': 24, 'DCNES': 25, 'DCT1': 26, 'DCT1G': 27, 'DCT2': 28, 'DCT2G': 29, 'DCT2S': 30, 'DCT3': 31}
+residue_order = {
+    'ALAD': 0,
+    'ALA': 1,
+    'ARG': 2,
+    'ASN': 3,
+    'ASP': 4,
+    'CYS': 5,
+    'GLN': 6,
+    'GLU': 7,
+    'GLY': 8,
+    'HSD': 9,
+    'HSE': 10,
+    'HSP': 11,
+    'ILE': 12,
+    'LEU': 13,
+    'LYS': 14,
+    'MET': 15,
+    'PHE': 16,
+    'PRO': 17,
+    'SER': 18,
+    'THR': 19,
+    'TRP': 20,
+    'TYR': 21,
+    'VAL': 22,
+    'ALDD': 23,
+    'DALA': 24,
+    'DARG': 25,
+    'DASN': 26,
+    'DASP': 27,
+    'DCYS': 28,
+    'DGLN': 29,
+    'DGLU': 30,
+    'DGLY': 31,
+    'DHSD': 32,
+    'DHSE': 33,
+    'DHSP': 34,
+    'DILE': 35,
+    'DLEU': 36,
+    'DLYS': 37,
+    'DMET': 38,
+    'DPHE': 39,
+    'DPRO': 40,
+    'DSER': 41,
+    'DTHR': 42,
+    'DTRP': 43,
+    'DTYR': 44,
+    'DVAL': 45,
+    'ALLO': 46,
+    'PSIC': 47,
+    'AGALA': 48,
+    'BGALA': 49,
+    'AGLCA': 50,
+    'BGLCA': 51,
+    'AIDOA': 52,
+    'BIDOA': 53,
+    'AGLCNA': 54,
+    'BGLCNA': 55,
+    'AGALNA': 56,
+    'BGALNA': 57,
+    'AMANNA': 58,
+    'BMANNA': 59,
+    'ARHMNA': 60,
+    'BRHMNA': 61,
+    'ANE5AC': 62,
+    'BNE5AC': 63,
+    '2BTE': 64,
+    '2BTD': 65,
+    '2PTE': 66,
+    '2PTD': 67,
+    '2HEX': 68,
+    '2HED': 69,
+    '3HEX': 70,
+    '3HED': 71,
+    '5DEC': 72,
+    '5DED': 73,
+    'AALD': 74,
+    'PALD': 75,
+    'BALD': 76,
+    'IBLD': 77,
+    'ACO': 78,
+    'BTON': 79,
+    'FORM': 80,
+    'ACEM': 81,
+    'NMA': 82,
+    'NEA': 83,
+    'NPA': 84,
+    'DMA': 85,
+    'IMID': 86,
+    '4MIM': 87,
+    '4MIE': 88,
+    'INDO': 89,
+    'PUR0': 90,
+    'PUR1': 91,
+    'MIND': 92,
+    'ACET': 93,
+    'GUAN': 94,
+    'MGUAN': 95,
+    'BGUAN': 96,
+    'IMIM': 97,
+    'ACEH': 98,
+    'MAS': 99,
+    'EAS': 100,
+    'MPRO': 101,
+    'MBU': 102,
+    'GLYC': 103,
+    'GLYP': 104,
+    'PRPC': 105,
+    'DMPC': 106,
+    'DPPC': 107,
+    'DSPC': 108,
+    'DOPC': 109,
+    'DLPE': 110,
+    'DPPE': 111,
+    'POPC': 112,
+    'DOPE': 113,
+    'POPE': 114,
+    'DLPC': 115,
+}
+patch_order = {
+    'ACE': 0,
+    'ACP': 1,
+    'CTER': 2,
+    'CTEG': 3,
+    'CTEP': 4,
+    'CNEU': 5,
+    'CNEG': 6,
+    'CT1': 7,
+    'CT1G': 8,
+    'CT2': 9,
+    'CT2G': 10,
+    'CT3': 11,
+    'LINK': 12,
+    'HS2': 13,
+    'KAC': 14,
+    'DACE': 15,
+    'DACP': 16,
+    'DCTER': 17,
+    'DCTEG': 18,
+    'DCTEP': 19,
+    'DCTES': 20,
+    'DCNEU': 21,
+    'DCNEG': 22,
+    'DCNES': 23,
+    'DCT1': 24,
+    'DCT1G': 25,
+    'DCT2': 26,
+    'DCT2G': 27,
+    'DCT2S': 28,
+    'DCT3': 29,
+}
 
-periodic_improper_types = {}
-harmonic_improper_types = {('OD2C3A', 'CD32C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD31F', 'CD32C', 'OD2C3A'): ((355.64, 0.0),), ('CD2O1A', 'CD32A', 'ND2A2', 'OD2C1A'): ((418.40000000000003, 0.0),), ('OD2C1A', 'ND2A2', 'CD32A', 'CD2O1A'): ((418.40000000000003, 0.0),), ('CD2O1A', 'CD31C', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),), ('OD2C1A', 'ND3A3', 'CD31C', 'CD2O1A'): ((0.0, 0.0),), ('CD2O1A', 'CD32C', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),), ('OD2C1A', 'ND3A3', 'CD32C', 'CD2O1A'): ((0.0, 0.0),), ('ND3A3', 'CD2O1A', 'CD31C', 'CD32A'): ((0.0, 0.0),), ('CD32A', 'CD31C', 'CD2O1A', 'ND3A3'): ((0.0, 0.0),), ('CD2O1A', 'CD31C', 'ND2A1', 'OD2C1A'): ((502.08000000000004, 0.0),), ('OD2C1A', 'ND2A1', 'CD31C', 'CD2O1A'): ((502.08000000000004, 0.0),), ('CD2O1A', 'CD31A', 'ND2A2', 'OD2C1A'): ((502.08000000000004, 0.0),), ('OD2C1A', 'ND2A2', 'CD31A', 'CD2O1A'): ((502.08000000000004, 0.0),), ('CD2O1A', 'CD32A', 'ND3A3', 'OD2C1A'): ((502.08000000000004, 0.0),), ('OD2C1A', 'ND3A3', 'CD32A', 'CD2O1A'): ((502.08000000000004, 0.0),), ('CD2O1A', 'CD33C', 'ND3A3', 'OD2C1A'): ((502.08000000000004, 0.0),), ('OD2C1A', 'ND3A3', 'CD33C', 'CD2O1A'): ((502.08000000000004, 0.0),), ('OD2C2A', 'CD31A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD31A', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'CD32A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD32A', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'CD33A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD33A', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'CD31C', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD31C', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'CD32C', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD32C', 'OD2C2A'): ((297.064, 0.0),), ('OD2C3A', 'CD31C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD31F', 'CD31C', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD31A', 'OD31F', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD31F', 'CD31A', 'OD2C3A'): ((355.64, 0.0),), ('CD2O1A', 'CD32C', 'ND2A1', 'OD2C1A'): ((376.56, 0.0),), ('OD2C1A', 'ND2A1', 'CD32C', 'CD2O1A'): ((376.56, 0.0),), ('CD2O1A', 'CD31C', 'ND2A2', 'OD2C1A'): ((155.64480000000003, 0.0),), ('OD2C1A', 'ND2A2', 'CD31C', 'CD2O1A'): ((155.64480000000003, 0.0),), ('CD2O1A', 'CD32C', 'ND2A2', 'OD2C1A'): ((418.40000000000003, 0.0),), ('OD2C1A', 'ND2A2', 'CD32C', 'CD2O1A'): ((418.40000000000003, 0.0),), ('CD2O1A', 'CD33C', 'ND2A2', 'OD2C1A'): ((374.04960000000005, 0.0),), ('OD2C1A', 'ND2A2', 'CD33C', 'CD2O1A'): ((374.04960000000005, 0.0),), ('OD2C1A', 'ND2A1', 'CD33C', 'CD2O1A'): ((376.56, 0.0),), ('CD2O1A', 'CD33C', 'ND2A1', 'OD2C1A'): ((376.56, 0.0),), ('ND2A1', 'HDP1A', 'HDP1A', 'CD2O1A'): ((16.736, 0.0),), ('CD2O1A', 'HDP1A', 'HDP1A', 'ND2A1'): ((16.736, 0.0),), ('OD2C1A', 'ND2A3', 'CD33C', 'CD2O1A'): ((251.04000000000002, 0.0),), ('CD2O1A', 'CD33C', 'ND2A3', 'OD2C1A'): ((251.04000000000002, 0.0),), ('ND2A2', 'CD2O1A', 'CD31C', 'HDP1A'): ((128.4488, 0.0),), ('HDP1A', 'CD31C', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),), ('ND2A2', 'CD2O1A', 'CD32C', 'HDP1A'): ((167.36, 0.0),), ('HDP1A', 'CD32C', 'CD2O1A', 'ND2A2'): ((167.36, 0.0),), ('ND2A2', 'CD2O1A', 'CD33C', 'HDP1A'): ((148.9504, 0.0),), ('HDP1A', 'CD33C', 'CD2O1A', 'ND2A2'): ((148.9504, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD33A'): ((297.064, 0.0),), ('CD33A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD32A'): ((297.064, 0.0),), ('CD32A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD32C'): ((297.064, 0.0),), ('CD32C', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31A'): ((297.064, 0.0),), ('CD31A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31C'): ((297.064, 0.0),), ('CD31C', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('ND2R5A', 'CD2R5A', 'CD2R5B', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5B', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R5B', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5A', 'CD2R5B', 'ND2R5A'): ((1.8828, 0.0),), ('CD2R5A', 'CD2R5A', 'ND2R5B', 'HDR5A'): ((2.092, 0.0),), ('HDR5A', 'ND2R5B', 'CD2R5A', 'CD2R5A'): ((2.092, 0.0),), ('CD2R5A', 'ND2R5B', 'CD2R5A', 'HDR5A'): ((2.092, 0.0),), ('HDR5A', 'CD2R5A', 'ND2R5B', 'CD2R5A'): ((2.092, 0.0),), ('CD2R5B', 'ND2R5A', 'ND2R5B', 'HDR5B'): ((2.092, 0.0),), ('HDR5B', 'ND2R5B', 'ND2R5A', 'CD2R5B'): ((2.092, 0.0),), ('CD2R5B', 'ND2R5B', 'ND2R5A', 'HDR5B'): ((2.092, 0.0),), ('HDR5B', 'ND2R5A', 'ND2R5B', 'CD2R5B'): ((2.092, 0.0),), ('CD2R5A', 'CD2R5A', 'ND2R5A', 'HDR5A'): ((2.092, 0.0),), ('HDR5A', 'ND2R5A', 'CD2R5A', 'CD2R5A'): ((2.092, 0.0),), ('CD2R5A', 'ND2R5A', 'CD2R5A', 'HDR5A'): ((2.092, 0.0),), ('HDR5A', 'CD2R5A', 'ND2R5A', 'CD2R5A'): ((2.092, 0.0),), ('ND2R5C', 'CD2R5E', 'CD2R5D', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5D', 'CD2R5E', 'ND2R5C'): ((1.8828, 0.0),), ('CD2R5D', 'CD2R5D', 'ND2R5C', 'HDR5D'): ((2.092, 0.0),), ('HDR5D', 'ND2R5C', 'CD2R5D', 'CD2R5D'): ((2.092, 0.0),), ('CD2R5E', 'ND2R5C', 'ND2R5C', 'HDR5E'): ((2.092, 0.0),), ('HDR5E', 'ND2R5C', 'ND2R5C', 'CD2R5E'): ((2.092, 0.0),), ('CD2N1A', 'ND2P1A', 'ND2P1A', 'ND2P1A'): ((167.36, 0.0),), ('ND2P1A', 'ND2P1A', 'ND2P1A', 'CD2N1A'): ((167.36, 0.0),), ('HDR5A', 'ND2R5A', 'CD2R5C', 'CD2R5A'): ((1.8828, 0.0),), ('CD2R5A', 'CD2R5C', 'ND2R5A', 'HDR5A'): ((1.8828, 0.0),), ('HDR5A', 'CD2R5C', 'ND2R5A', 'CD2R5A'): ((1.8828, 0.0),), ('CD2R5A', 'ND2R5A', 'CD2R5C', 'HDR5A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5A', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R5A', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),), ('HDR5C', 'CD2R5A', 'CD2R5C', 'CD2R5C'): ((1.8828, 0.0),), ('CD2R5C', 'CD2R5C', 'CD2R5A', 'HDR5C'): ((1.8828, 0.0),), ('HDR5C', 'CD2R5C', 'CD2R5A', 'CD2R5C'): ((1.8828, 0.0),), ('CD2R5C', 'CD2R5A', 'CD2R5C', 'HDR5C'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5A', 'CD2R6D', 'ND2R5A'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R6D', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R6D', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R5A', 'CD2R6D', 'HDP1A'): ((1.8828, 0.0),), ('CD2R6A', 'CD2R6A', 'CD2R6D', 'HDR6A'): ((1.8828, 0.0),), ('HDR6A', 'CD2R6D', 'CD2R6A', 'CD2R6A'): ((1.8828, 0.0),), ('HDR6A', 'CD2R6A', 'CD2R6D', 'CD2R6A'): ((1.8828, 0.0),), ('CD2R6A', 'CD2R6D', 'CD2R6A', 'HDR6A'): ((1.8828, 0.0),), ('HDR5C', 'CD2R6D', 'CD2R5A', 'CD2R5C'): ((1.8828, 0.0),), ('CD2R5C', 'CD2R5A', 'CD2R6D', 'HDR5C'): ((1.8828, 0.0),), ('HDR5C', 'CD2R5A', 'CD2R6D', 'CD2R5C'): ((1.8828, 0.0),), ('CD2R5C', 'CD2R6D', 'CD2R5A', 'HDR5C'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R6F', 'CD2R5B', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R5B', 'CD2R6F', 'ND2R5A'): ((1.8828, 0.0),), ('ND2R5A', 'CD2R5B', 'CD2R6F', 'HDP1A'): ((1.8828, 0.0),), ('HDP1A', 'CD2R6F', 'CD2R5B', 'ND2R5A'): ((1.8828, 0.0),), ('CD2R6F', 'CD2R6F', 'CD2R6B', 'ND2R5A'): ((83.68, 0.0),), ('ND2R5A', 'CD2R6B', 'CD2R6F', 'CD2R6F'): ((83.68, 0.0),), ('CD2R6F', 'CD2R6B', 'CD2R6F', 'ND2R5A'): ((83.68, 0.0),), ('ND2R5A', 'CD2R6F', 'CD2R6B', 'CD2R6F'): ((83.68, 0.0),), ('CD2R6F', 'CD2R6F', 'ND2R6B', 'ND2R5B'): ((41.84, 0.0),), ('ND2R5B', 'ND2R6B', 'CD2R6F', 'CD2R6F'): ((41.84, 0.0),), ('CD2R6F', 'ND2R6B', 'CD2R6F', 'ND2R5B'): ((41.84, 0.0),), ('ND2R5B', 'CD2R6F', 'ND2R6B', 'CD2R6F'): ((41.84, 0.0),), ('CD2R6F', 'CD2R6F', 'CD2R6B', 'ND2R5B'): ((83.68, 0.0),), ('ND2R5B', 'CD2R6B', 'CD2R6F', 'CD2R6F'): ((83.68, 0.0),), ('CD2R6F', 'CD2R6B', 'CD2R6F', 'ND2R5B'): ((83.68, 0.0),), ('ND2R5B', 'CD2R6F', 'CD2R6B', 'CD2R6F'): ((83.68, 0.0),), ('CD2R6F', 'CD2R6F', 'ND2R6B', 'ND2R5A'): ((41.84, 0.0),), ('ND2R5A', 'ND2R6B', 'CD2R6F', 'CD2R6F'): ((41.84, 0.0),), ('CD2R6F', 'ND2R6B', 'CD2R6F', 'ND2R5A'): ((41.84, 0.0),), ('ND2R5A', 'CD2R6F', 'ND2R6B', 'CD2R6F'): ((41.84, 0.0),), ('CD2O4A', 'ND2R6B', 'ND2R6B', 'OD2C1B'): ((334.72, 0.0),), ('OD2C1B', 'ND2R6B', 'ND2R6B', 'CD2O4A'): ((334.72, 0.0),), ('CD2O4A', 'ND2R6C', 'ND2R6C', 'OD2C1B'): ((334.72, 0.0),), ('OD2C1B', 'ND2R6C', 'ND2R6C', 'CD2O4A'): ((334.72, 0.0),), ('CD2O4A', 'ND2R6C', 'ND2R6B', 'OD2C1B'): ((334.72, 0.0),), ('OD2C1B', 'ND2R6B', 'ND2R6C', 'CD2O4A'): ((334.72, 0.0),), ('CD2R6B', 'ND2R6B', 'CD2R6J', 'ND2B1'): ((251.04000000000002, 0.0),), ('ND2B1', 'CD2R6J', 'ND2R6B', 'CD2R6B'): ((251.04000000000002, 0.0),), ('ND2R6B', 'CD2R6H', 'CD2O4A', 'HDP1A'): ((4.184, 0.0),), ('HDP1A', 'CD2O4A', 'CD2R6H', 'ND2R6B'): ((4.184, 0.0),), ('ND2R6C', 'CD2R6H', 'CD2O4A', 'HDP1A'): ((4.184, 0.0),), ('HDP1A', 'CD2O4A', 'CD2R6H', 'ND2R6C'): ((4.184, 0.0),), ('ND2R6C', 'CD2R6H', 'CD2O4A', 'CD33A'): ((58.576, 0.0),), ('CD33A', 'CD2O4A', 'CD2R6H', 'ND2R6C'): ((58.576, 0.0),), ('CD2O4A', 'ND2R6B', 'ND2R6C', 'OD2C1B'): ((460.24, 0.0),), ('OD2C1B', 'ND2R6C', 'ND2R6B', 'CD2O4A'): ((460.24, 0.0),), ('CD2O4A', 'ND2R6C', 'CD2R6J', 'OD2C1B'): ((376.56, 0.0),), ('OD2C1B', 'CD2R6J', 'ND2R6C', 'CD2O4A'): ((376.56, 0.0),), ('CD2R6J', 'CD2O4A', 'CD2R6H', 'CD33A'): ((58.576, 0.0),), ('CD33A', 'CD2R6H', 'CD2O4A', 'CD2R6J'): ((58.576, 0.0),), ('CD2R6C', 'ND2R6B', 'ND2R6C', 'ND2B1'): ((167.36, 0.0),), ('ND2B1', 'ND2R6C', 'ND2R6B', 'CD2R6C'): ((167.36, 0.0),), ('CD2O4A', 'ND2R6C', 'CD2R6F', 'OD2C1B'): ((376.56, 0.0),), ('OD2C1B', 'CD2R6F', 'ND2R6C', 'CD2O4A'): ((376.56, 0.0),), ('ND2B1', 'HDP1A', 'CD2R6C', 'HDP1A'): ((25.104, 0.0),), ('HDP1A', 'CD2R6C', 'HDP1A', 'ND2B1'): ((25.104, 0.0),), ('OD2C3A', 'CD33A', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD33A', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD32A', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD32A', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD33C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD33C', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD32C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD32C', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD31C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD31C', 'OD2C3A'): ((355.64, 0.0),), ('CD2O3A', 'OD31F', 'CD33C', 'OD2C3A'): ((355.64, 0.0),), ('OD2C3A', 'CD33C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),), ('CD2C1A', 'CD2C1A', 'CD32A', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD32A', 'CD2C1A', 'CD2C1A'): ((8.368, 0.0),), ('CD2C1A', 'CD2C1B', 'CD32A', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD32A', 'CD2C1B', 'CD2C1A'): ((8.368, 0.0),), ('CD2C1A', 'CD32A', 'CD2C1A', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD2C1A', 'CD32A', 'CD2C1A'): ((8.368, 0.0),), ('CD2C1A', 'CD32A', 'CD2C1B', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD2C1B', 'CD32A', 'CD2C1A'): ((8.368, 0.0),), ('CD2C1A', 'CD2C1A', 'CD33A', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD33A', 'CD2C1A', 'CD2C1A'): ((8.368, 0.0),), ('CD2C1A', 'CD2C1B', 'CD33A', 'HD2C1A'): ((8.368, 0.0),), ('HD2C1A', 'CD33A', 'CD2C1B', 'CD2C1A'): ((8.368, 0.0),), ('CD2O1D', 'CD33C', 'CD33C', 'OD2C1D'): ((410.03200000000004, 0.0),), ('OD2C1D', 'CD33C', 'CD33C', 'CD2O1D'): ((410.03200000000004, 0.0),), ('CD2O1D', 'CD33C', 'CD32C', 'OD2C1D'): ((389.112, 0.0),), ('OD2C1D', 'CD32C', 'CD33C', 'CD2O1D'): ((389.112, 0.0),), ('CD2O1D', 'CD32C', 'CD32C', 'OD2C1D'): ((397.48, 0.0),), ('OD2C1D', 'CD32C', 'CD32C', 'CD2O1D'): ((397.48, 0.0),), ('CD2O1C', 'HDP1C', 'CD33C', 'OD2C1D'): ((313.8, 0.0),), ('OD2C1D', 'CD33C', 'HDP1C', 'CD2O1C'): ((313.8, 0.0),), ('CD2O1C', 'HDP1C', 'CD32C', 'OD2C1D'): ((298.3192, 0.0),), ('OD2C1D', 'CD32C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),), ('CD2O1C', 'HDP1C', 'CD33C', 'OD2C1C'): ((313.8, 0.0),), ('OD2C1C', 'CD33C', 'HDP1C', 'CD2O1C'): ((313.8, 0.0),), ('CD2O1C', 'HDP1C', 'CD32C', 'OD2C1C'): ((298.3192, 0.0),), ('OD2C1C', 'CD32C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),), ('CD2O1C', 'HDP1C', 'CD31C', 'OD2C1C'): ((298.3192, 0.0),), ('OD2C1C', 'CD31C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),), ('CD2O1C', 'HDP1C', 'CD31G', 'OD2C1C'): ((298.3192, 0.0),), ('OD2C1C', 'CD31G', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),), ('CD2O1D', 'CD32F', 'CD31G', 'OD2C1D'): ((389.112, 0.0),), ('OD2C1D', 'CD31G', 'CD32F', 'CD2O1D'): ((389.112, 0.0),), ('CD2O1C', 'ND2A1', 'OD2C1D', 'HDP1C'): ((292.88, 0.0),), ('HDP1C', 'OD2C1D', 'ND2A1', 'CD2O1C'): ((292.88, 0.0),), ('CD2O1A', 'CD31DC', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),), ('OD2C1A', 'ND3A3', 'CD31DC', 'CD2O1A'): ((0.0, 0.0),), ('ND3A3', 'CD2O1A', 'CD31DC', 'CD32A'): ((0.0, 0.0),), ('CD32A', 'CD31DC', 'CD2O1A', 'ND3A3'): ((0.0, 0.0),), ('CD2O1A', 'CD31DC', 'ND2A1', 'OD2C1A'): ((502.08000000000004, 0.0),), ('OD2C1A', 'ND2A1', 'CD31DC', 'CD2O1A'): ((502.08000000000004, 0.0),), ('OD2C2A', 'CD31DC', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'OD2C2A', 'CD31DC', 'OD2C2A'): ((297.064, 0.0),), ('OD2C3A', 'CD31DC', 'OD31F', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD31F', 'CD31DC', 'OD2C3A'): ((355.64, 0.0),), ('CD2O1A', 'CD31DC', 'ND2A2', 'OD2C1A'): ((155.64480000000003, 0.0),), ('OD2C1A', 'ND2A2', 'CD31DC', 'CD2O1A'): ((155.64480000000003, 0.0),), ('ND2A2', 'CD2O1A', 'CD31DC', 'HDP1A'): ((128.4488, 0.0),), ('HDP1A', 'CD31DC', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),), ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31DC'): ((297.064, 0.0),), ('CD31DC', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),), ('OD2C3A', 'CD31DC', 'OD30C', 'CD2O3A'): ((355.64, 0.0),), ('CD2O3A', 'OD30C', 'CD31DC', 'OD2C3A'): ((355.64, 0.0),), ('CD2O1C', 'HDP1C', 'CD31DC', 'OD2C1C'): ((298.3192, 0.0),), ('OD2C1C', 'CD31DC', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),), ('ND2A2', 'CD2O1A', 'CD31HB', 'HDP1A'): ((128.4488, 0.0),), ('HDP1A', 'CD31HB', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),), ('CD2O2A', 'CD31HC', 'OD2C2A', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'OD2C2A', 'CD31HC', 'CD2O2A'): ((297.064, 0.0),), ('CD2O2A', 'CD30HA', 'OD2C2A', 'OD2C2A'): ((297.064, 0.0),), ('OD2C2A', 'OD2C2A', 'CD30HA', 'CD2O2A'): ((297.064, 0.0),), ('ND2A2', 'CD2O1A', 'CD31HA', 'HDP1A'): ((128.4488, 0.0),), ('HDP1A', 'CD31HA', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),)}
+periodic_improper_types = {
+}
+harmonic_improper_types = {
+    ('OD2C3A', 'CD32C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD31F', 'CD32C', 'OD2C3A'): ((355.64, 0.0),),
+    ('CD2O1A', 'CD32A', 'ND2A2', 'OD2C1A'): ((418.40000000000003, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD32A', 'CD2O1A'): ((418.40000000000003, 0.0),),
+    ('CD2O1A', 'CD31C', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),),
+    ('OD2C1A', 'ND3A3', 'CD31C', 'CD2O1A'): ((0.0, 0.0),),
+    ('CD2O1A', 'CD32C', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),),
+    ('OD2C1A', 'ND3A3', 'CD32C', 'CD2O1A'): ((0.0, 0.0),),
+    ('ND3A3', 'CD2O1A', 'CD31C', 'CD32A'): ((0.0, 0.0),),
+    ('CD32A', 'CD31C', 'CD2O1A', 'ND3A3'): ((0.0, 0.0),),
+    ('CD2O1A', 'CD31C', 'ND2A1', 'OD2C1A'): ((502.08000000000004, 0.0),),
+    ('OD2C1A', 'ND2A1', 'CD31C', 'CD2O1A'): ((502.08000000000004, 0.0),),
+    ('CD2O1A', 'CD31A', 'ND2A2', 'OD2C1A'): ((502.08000000000004, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD31A', 'CD2O1A'): ((502.08000000000004, 0.0),),
+    ('CD2O1A', 'CD32A', 'ND3A3', 'OD2C1A'): ((502.08000000000004, 0.0),),
+    ('OD2C1A', 'ND3A3', 'CD32A', 'CD2O1A'): ((502.08000000000004, 0.0),),
+    ('CD2O1A', 'CD33C', 'ND3A3', 'OD2C1A'): ((502.08000000000004, 0.0),),
+    ('OD2C1A', 'ND3A3', 'CD33C', 'CD2O1A'): ((502.08000000000004, 0.0),),
+    ('OD2C2A', 'CD31A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD31A', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'CD32A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD32A', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'CD33A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD33A', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'CD31C', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD31C', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'CD32C', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD32C', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C3A', 'CD31C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD31F', 'CD31C', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD31A', 'OD31F', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD31F', 'CD31A', 'OD2C3A'): ((355.64, 0.0),),
+    ('CD2O1A', 'CD32C', 'ND2A1', 'OD2C1A'): ((376.56, 0.0),),
+    ('OD2C1A', 'ND2A1', 'CD32C', 'CD2O1A'): ((376.56, 0.0),),
+    ('CD2O1A', 'CD31C', 'ND2A2', 'OD2C1A'): ((155.64480000000003, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD31C', 'CD2O1A'): ((155.64480000000003, 0.0),),
+    ('CD2O1A', 'CD32C', 'ND2A2', 'OD2C1A'): ((418.40000000000003, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD32C', 'CD2O1A'): ((418.40000000000003, 0.0),),
+    ('CD2O1A', 'CD33C', 'ND2A2', 'OD2C1A'): ((374.04960000000005, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD33C', 'CD2O1A'): ((374.04960000000005, 0.0),),
+    ('OD2C1A', 'ND2A1', 'CD33C', 'CD2O1A'): ((376.56, 0.0),),
+    ('CD2O1A', 'CD33C', 'ND2A1', 'OD2C1A'): ((376.56, 0.0),),
+    ('ND2A1', 'HDP1A', 'HDP1A', 'CD2O1A'): ((16.736, 0.0),),
+    ('CD2O1A', 'HDP1A', 'HDP1A', 'ND2A1'): ((16.736, 0.0),),
+    ('OD2C1A', 'ND2A3', 'CD33C', 'CD2O1A'): ((251.04000000000002, 0.0),),
+    ('CD2O1A', 'CD33C', 'ND2A3', 'OD2C1A'): ((251.04000000000002, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD31C', 'HDP1A'): ((128.4488, 0.0),),
+    ('HDP1A', 'CD31C', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD32C', 'HDP1A'): ((167.36, 0.0),),
+    ('HDP1A', 'CD32C', 'CD2O1A', 'ND2A2'): ((167.36, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD33C', 'HDP1A'): ((148.9504, 0.0),),
+    ('HDP1A', 'CD33C', 'CD2O1A', 'ND2A2'): ((148.9504, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD33A'): ((297.064, 0.0),),
+    ('CD33A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD32A'): ((297.064, 0.0),),
+    ('CD32A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD32C'): ((297.064, 0.0),),
+    ('CD32C', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31A'): ((297.064, 0.0),),
+    ('CD31A', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31C'): ((297.064, 0.0),),
+    ('CD31C', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('ND2R5A', 'CD2R5A', 'CD2R5B', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5B', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R5B', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5A', 'CD2R5B', 'ND2R5A'): ((1.8828, 0.0),),
+    ('CD2R5A', 'CD2R5A', 'ND2R5B', 'HDR5A'): ((2.092, 0.0),),
+    ('HDR5A', 'ND2R5B', 'CD2R5A', 'CD2R5A'): ((2.092, 0.0),),
+    ('CD2R5A', 'ND2R5B', 'CD2R5A', 'HDR5A'): ((2.092, 0.0),),
+    ('HDR5A', 'CD2R5A', 'ND2R5B', 'CD2R5A'): ((2.092, 0.0),),
+    ('CD2R5B', 'ND2R5A', 'ND2R5B', 'HDR5B'): ((2.092, 0.0),),
+    ('HDR5B', 'ND2R5B', 'ND2R5A', 'CD2R5B'): ((2.092, 0.0),),
+    ('CD2R5B', 'ND2R5B', 'ND2R5A', 'HDR5B'): ((2.092, 0.0),),
+    ('HDR5B', 'ND2R5A', 'ND2R5B', 'CD2R5B'): ((2.092, 0.0),),
+    ('CD2R5A', 'CD2R5A', 'ND2R5A', 'HDR5A'): ((2.092, 0.0),),
+    ('HDR5A', 'ND2R5A', 'CD2R5A', 'CD2R5A'): ((2.092, 0.0),),
+    ('CD2R5A', 'ND2R5A', 'CD2R5A', 'HDR5A'): ((2.092, 0.0),),
+    ('HDR5A', 'CD2R5A', 'ND2R5A', 'CD2R5A'): ((2.092, 0.0),),
+    ('ND2R5C', 'CD2R5E', 'CD2R5D', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5D', 'CD2R5E', 'ND2R5C'): ((1.8828, 0.0),),
+    ('CD2R5D', 'CD2R5D', 'ND2R5C', 'HDR5D'): ((2.092, 0.0),),
+    ('HDR5D', 'ND2R5C', 'CD2R5D', 'CD2R5D'): ((2.092, 0.0),),
+    ('CD2R5E', 'ND2R5C', 'ND2R5C', 'HDR5E'): ((2.092, 0.0),),
+    ('HDR5E', 'ND2R5C', 'ND2R5C', 'CD2R5E'): ((2.092, 0.0),),
+    ('CD2N1A', 'ND2P1A', 'ND2P1A', 'ND2P1A'): ((167.36, 0.0),),
+    ('ND2P1A', 'ND2P1A', 'ND2P1A', 'CD2N1A'): ((167.36, 0.0),),
+    ('HDR5A', 'ND2R5A', 'CD2R5C', 'CD2R5A'): ((1.8828, 0.0),),
+    ('CD2R5A', 'CD2R5C', 'ND2R5A', 'HDR5A'): ((1.8828, 0.0),),
+    ('HDR5A', 'CD2R5C', 'ND2R5A', 'CD2R5A'): ((1.8828, 0.0),),
+    ('CD2R5A', 'ND2R5A', 'CD2R5C', 'HDR5A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5A', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R5A', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDR5C', 'CD2R5A', 'CD2R5C', 'CD2R5C'): ((1.8828, 0.0),),
+    ('CD2R5C', 'CD2R5C', 'CD2R5A', 'HDR5C'): ((1.8828, 0.0),),
+    ('HDR5C', 'CD2R5C', 'CD2R5A', 'CD2R5C'): ((1.8828, 0.0),),
+    ('CD2R5C', 'CD2R5A', 'CD2R5C', 'HDR5C'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5A', 'CD2R6D', 'ND2R5A'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R6D', 'CD2R5A', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R6D', 'CD2R5A', 'ND2R5A'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R5A', 'CD2R6D', 'HDP1A'): ((1.8828, 0.0),),
+    ('CD2R6A', 'CD2R6A', 'CD2R6D', 'HDR6A'): ((1.8828, 0.0),),
+    ('HDR6A', 'CD2R6D', 'CD2R6A', 'CD2R6A'): ((1.8828, 0.0),),
+    ('HDR6A', 'CD2R6A', 'CD2R6D', 'CD2R6A'): ((1.8828, 0.0),),
+    ('CD2R6A', 'CD2R6D', 'CD2R6A', 'HDR6A'): ((1.8828, 0.0),),
+    ('HDR5C', 'CD2R6D', 'CD2R5A', 'CD2R5C'): ((1.8828, 0.0),),
+    ('CD2R5C', 'CD2R5A', 'CD2R6D', 'HDR5C'): ((1.8828, 0.0),),
+    ('HDR5C', 'CD2R5A', 'CD2R6D', 'CD2R5C'): ((1.8828, 0.0),),
+    ('CD2R5C', 'CD2R6D', 'CD2R5A', 'HDR5C'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R6F', 'CD2R5B', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R5B', 'CD2R6F', 'ND2R5A'): ((1.8828, 0.0),),
+    ('ND2R5A', 'CD2R5B', 'CD2R6F', 'HDP1A'): ((1.8828, 0.0),),
+    ('HDP1A', 'CD2R6F', 'CD2R5B', 'ND2R5A'): ((1.8828, 0.0),),
+    ('CD2R6F', 'CD2R6F', 'CD2R6B', 'ND2R5A'): ((83.68, 0.0),),
+    ('ND2R5A', 'CD2R6B', 'CD2R6F', 'CD2R6F'): ((83.68, 0.0),),
+    ('CD2R6F', 'CD2R6B', 'CD2R6F', 'ND2R5A'): ((83.68, 0.0),),
+    ('ND2R5A', 'CD2R6F', 'CD2R6B', 'CD2R6F'): ((83.68, 0.0),),
+    ('CD2R6F', 'CD2R6F', 'ND2R6B', 'ND2R5B'): ((41.84, 0.0),),
+    ('ND2R5B', 'ND2R6B', 'CD2R6F', 'CD2R6F'): ((41.84, 0.0),),
+    ('CD2R6F', 'ND2R6B', 'CD2R6F', 'ND2R5B'): ((41.84, 0.0),),
+    ('ND2R5B', 'CD2R6F', 'ND2R6B', 'CD2R6F'): ((41.84, 0.0),),
+    ('CD2R6F', 'CD2R6F', 'CD2R6B', 'ND2R5B'): ((83.68, 0.0),),
+    ('ND2R5B', 'CD2R6B', 'CD2R6F', 'CD2R6F'): ((83.68, 0.0),),
+    ('CD2R6F', 'CD2R6B', 'CD2R6F', 'ND2R5B'): ((83.68, 0.0),),
+    ('ND2R5B', 'CD2R6F', 'CD2R6B', 'CD2R6F'): ((83.68, 0.0),),
+    ('CD2R6F', 'CD2R6F', 'ND2R6B', 'ND2R5A'): ((41.84, 0.0),),
+    ('ND2R5A', 'ND2R6B', 'CD2R6F', 'CD2R6F'): ((41.84, 0.0),),
+    ('CD2R6F', 'ND2R6B', 'CD2R6F', 'ND2R5A'): ((41.84, 0.0),),
+    ('ND2R5A', 'CD2R6F', 'ND2R6B', 'CD2R6F'): ((41.84, 0.0),),
+    ('CD2O4A', 'ND2R6B', 'ND2R6B', 'OD2C1B'): ((334.72, 0.0),),
+    ('OD2C1B', 'ND2R6B', 'ND2R6B', 'CD2O4A'): ((334.72, 0.0),),
+    ('CD2O4A', 'ND2R6C', 'ND2R6C', 'OD2C1B'): ((334.72, 0.0),),
+    ('OD2C1B', 'ND2R6C', 'ND2R6C', 'CD2O4A'): ((334.72, 0.0),),
+    ('CD2O4A', 'ND2R6C', 'ND2R6B', 'OD2C1B'): ((334.72, 0.0),),
+    ('OD2C1B', 'ND2R6B', 'ND2R6C', 'CD2O4A'): ((334.72, 0.0),),
+    ('CD2R6B', 'ND2R6B', 'CD2R6J', 'ND2B1'): ((251.04000000000002, 0.0),),
+    ('ND2B1', 'CD2R6J', 'ND2R6B', 'CD2R6B'): ((251.04000000000002, 0.0),),
+    ('ND2R6B', 'CD2R6H', 'CD2O4A', 'HDP1A'): ((4.184, 0.0),),
+    ('HDP1A', 'CD2O4A', 'CD2R6H', 'ND2R6B'): ((4.184, 0.0),),
+    ('ND2R6C', 'CD2R6H', 'CD2O4A', 'HDP1A'): ((4.184, 0.0),),
+    ('HDP1A', 'CD2O4A', 'CD2R6H', 'ND2R6C'): ((4.184, 0.0),),
+    ('ND2R6C', 'CD2R6H', 'CD2O4A', 'CD33A'): ((58.576, 0.0),),
+    ('CD33A', 'CD2O4A', 'CD2R6H', 'ND2R6C'): ((58.576, 0.0),),
+    ('CD2O4A', 'ND2R6B', 'ND2R6C', 'OD2C1B'): ((460.24, 0.0),),
+    ('OD2C1B', 'ND2R6C', 'ND2R6B', 'CD2O4A'): ((460.24, 0.0),),
+    ('CD2O4A', 'ND2R6C', 'CD2R6J', 'OD2C1B'): ((376.56, 0.0),),
+    ('OD2C1B', 'CD2R6J', 'ND2R6C', 'CD2O4A'): ((376.56, 0.0),),
+    ('CD2R6J', 'CD2O4A', 'CD2R6H', 'CD33A'): ((58.576, 0.0),),
+    ('CD33A', 'CD2R6H', 'CD2O4A', 'CD2R6J'): ((58.576, 0.0),),
+    ('CD2R6C', 'ND2R6B', 'ND2R6C', 'ND2B1'): ((167.36, 0.0),),
+    ('ND2B1', 'ND2R6C', 'ND2R6B', 'CD2R6C'): ((167.36, 0.0),),
+    ('CD2O4A', 'ND2R6C', 'CD2R6F', 'OD2C1B'): ((376.56, 0.0),),
+    ('OD2C1B', 'CD2R6F', 'ND2R6C', 'CD2O4A'): ((376.56, 0.0),),
+    ('ND2B1', 'HDP1A', 'CD2R6C', 'HDP1A'): ((25.104, 0.0),),
+    ('HDP1A', 'CD2R6C', 'HDP1A', 'ND2B1'): ((25.104, 0.0),),
+    ('OD2C3A', 'CD33A', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD33A', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD32A', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD32A', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD33C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD33C', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD32C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD32C', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD31C', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD31C', 'OD2C3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD31F', 'CD33C', 'OD2C3A'): ((355.64, 0.0),),
+    ('OD2C3A', 'CD33C', 'OD31F', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2C1A', 'CD2C1A', 'CD32A', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD32A', 'CD2C1A', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2C1A', 'CD2C1B', 'CD32A', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD32A', 'CD2C1B', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2C1A', 'CD32A', 'CD2C1A', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD2C1A', 'CD32A', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2C1A', 'CD32A', 'CD2C1B', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD2C1B', 'CD32A', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2C1A', 'CD2C1A', 'CD33A', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD33A', 'CD2C1A', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2C1A', 'CD2C1B', 'CD33A', 'HD2C1A'): ((8.368, 0.0),),
+    ('HD2C1A', 'CD33A', 'CD2C1B', 'CD2C1A'): ((8.368, 0.0),),
+    ('CD2O1D', 'CD33C', 'CD33C', 'OD2C1D'): ((410.03200000000004, 0.0),),
+    ('OD2C1D', 'CD33C', 'CD33C', 'CD2O1D'): ((410.03200000000004, 0.0),),
+    ('CD2O1D', 'CD33C', 'CD32C', 'OD2C1D'): ((389.112, 0.0),),
+    ('OD2C1D', 'CD32C', 'CD33C', 'CD2O1D'): ((389.112, 0.0),),
+    ('CD2O1D', 'CD32C', 'CD32C', 'OD2C1D'): ((397.48, 0.0),),
+    ('OD2C1D', 'CD32C', 'CD32C', 'CD2O1D'): ((397.48, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD33C', 'OD2C1D'): ((313.8, 0.0),),
+    ('OD2C1D', 'CD33C', 'HDP1C', 'CD2O1C'): ((313.8, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD32C', 'OD2C1D'): ((298.3192, 0.0),),
+    ('OD2C1D', 'CD32C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD33C', 'OD2C1C'): ((313.8, 0.0),),
+    ('OD2C1C', 'CD33C', 'HDP1C', 'CD2O1C'): ((313.8, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD32C', 'OD2C1C'): ((298.3192, 0.0),),
+    ('OD2C1C', 'CD32C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD31C', 'OD2C1C'): ((298.3192, 0.0),),
+    ('OD2C1C', 'CD31C', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD31G', 'OD2C1C'): ((298.3192, 0.0),),
+    ('OD2C1C', 'CD31G', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),),
+    ('CD2O1D', 'CD32F', 'CD31G', 'OD2C1D'): ((389.112, 0.0),),
+    ('OD2C1D', 'CD31G', 'CD32F', 'CD2O1D'): ((389.112, 0.0),),
+    ('CD2O1C', 'ND2A1', 'OD2C1D', 'HDP1C'): ((292.88, 0.0),),
+    ('HDP1C', 'OD2C1D', 'ND2A1', 'CD2O1C'): ((292.88, 0.0),),
+    ('CD2O1A', 'CD31DC', 'ND3A3', 'OD2C1A'): ((0.0, 0.0),),
+    ('OD2C1A', 'ND3A3', 'CD31DC', 'CD2O1A'): ((0.0, 0.0),),
+    ('ND3A3', 'CD2O1A', 'CD31DC', 'CD32A'): ((0.0, 0.0),),
+    ('CD32A', 'CD31DC', 'CD2O1A', 'ND3A3'): ((0.0, 0.0),),
+    ('CD2O1A', 'CD31DC', 'ND2A1', 'OD2C1A'): ((502.08000000000004, 0.0),),
+    ('OD2C1A', 'ND2A1', 'CD31DC', 'CD2O1A'): ((502.08000000000004, 0.0),),
+    ('OD2C2A', 'CD31DC', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'CD31DC', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C3A', 'CD31DC', 'OD31F', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD31F', 'CD31DC', 'OD2C3A'): ((355.64, 0.0),),
+    ('CD2O1A', 'CD31DC', 'ND2A2', 'OD2C1A'): ((155.64480000000003, 0.0),),
+    ('OD2C1A', 'ND2A2', 'CD31DC', 'CD2O1A'): ((155.64480000000003, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD31DC', 'HDP1A'): ((128.4488, 0.0),),
+    ('HDP1A', 'CD31DC', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),),
+    ('CD2O2A', 'OD2C2A', 'OD2C2A', 'CD31DC'): ((297.064, 0.0),),
+    ('CD31DC', 'OD2C2A', 'OD2C2A', 'CD2O2A'): ((297.064, 0.0),),
+    ('OD2C3A', 'CD31DC', 'OD30C', 'CD2O3A'): ((355.64, 0.0),),
+    ('CD2O3A', 'OD30C', 'CD31DC', 'OD2C3A'): ((355.64, 0.0),),
+    ('CD2O1C', 'HDP1C', 'CD31DC', 'OD2C1C'): ((298.3192, 0.0),),
+    ('OD2C1C', 'CD31DC', 'HDP1C', 'CD2O1C'): ((298.3192, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD31HB', 'HDP1A'): ((128.4488, 0.0),),
+    ('HDP1A', 'CD31HB', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),),
+    ('CD2O2A', 'CD31HC', 'OD2C2A', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'OD2C2A', 'CD31HC', 'CD2O2A'): ((297.064, 0.0),),
+    ('CD2O2A', 'CD30HA', 'OD2C2A', 'OD2C2A'): ((297.064, 0.0),),
+    ('OD2C2A', 'OD2C2A', 'CD30HA', 'CD2O2A'): ((297.064, 0.0),),
+    ('ND2A2', 'CD2O1A', 'CD31HA', 'HDP1A'): ((128.4488, 0.0),),
+    ('HDP1A', 'CD31HA', 'CD2O1A', 'ND2A2'): ((128.4488, 0.0),),
+}
+
+def extract_atom_name(raw_atom_name, templates):
+    # Process Drude particles.
+    atom_name_prefix = ""
+    if raw_atom_name.startswith("Drude-"):
+        raw_atom_name = raw_atom_name[len("Drude-"):]
+        atom_name_prefix = "D"
+
+    # Return None to indicate an atom without template name information.
+    atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
+    if len(atom_name_parts) &lt; 2:
+        return None
+    templates.add(atom_name_parts[0])
+    return f"{atom_name_prefix}{atom_name_parts[1]}"
 
 def is_valid_improper(atom_indices):
     index_1, index_2, index_3, index_4 = atom_indices
@@ -30542,23 +30887,38 @@ def find_improper(improper_types, atom_classes):
 
 residue_data = []
 
-for residue in topology.residues():
-    # Extract the residue or patch names and atom names from the atom type names.
-    templates = []
-    atom_names = []
-    for atom in residue.atoms():
-        raw_atom_name = data.atomType[atom]
-        atom_is_drude = raw_atom_name.startswith("Drude-")
-        if atom_is_drude:
-            atom_name_parts = raw_atom_name[len("Drude-"):].rsplit("-", maxsplit=1)
-            atom_names.append(f"D{atom_name_parts[1]}")
-        else:
-            atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
-            atom_names.append(atom_name_parts[1])
-        templates.append(atom_name_parts[0])
+for residue_index, residue in enumerate(topology.residues()):
+    # Extract the residue or patch names and atom names.
+    template_data = templateForResidue[residue_index]
+    templates = set()
+    if template_data is None:
+        # Multi-residue patch; fall back to parsing atom names because OpenMM
+        # leaves None in templateForResidue in this case.
+        atom_names = []
+        skip_residue = False
+        for atom in residue.atoms():
+            atom_name = extract_atom_name(data.atomType[atom], templates)
+            if atom_name is None:
+                # Skip residues containing atoms without template name data
+                # (they might be from, e.g., another solvent force field file).
+                skip_residue = True
+                break
+            atom_names.append(atom_name)
+        if skip_residue:
+            residue_data.append(([], [], []))
+            continue
+    else:
+        # Extract names from template name.
+        for template_index, template_name in enumerate(template_data.name.split("-")):
+            if template_index:
+                # Patch name.
+                templates.add(template_name.rsplit("_", maxsplit=1)[0])
+            else:
+                # Residue name.
+                templates.add(template_name)
+        atom_names = [template_data.atoms[data.atomTemplateIndexes[atom]].name for atom in residue.atoms()]
 
     # Get all unique residue or patch names that have impropers.
-    templates = set(templates)
     residue_templates = sorted(
         (template for template in templates if template in residue_impropers), key=residue_order.get
     )
@@ -30661,32 +31021,548 @@ if harmonic_impropers:
     sys.addForce(harmonic_force)</Script>
   <Script>import openmm
 
-residue_anisotropies = {'ALAD': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ALA': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ARG': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ASN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LPDA', 'LPDB', 0.88, 1.32)}, 'ASP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LP1A', 'LP1B', 0.7229, 1.265), 'OD2': ('CG', 'LP2A', 'LP2B', 0.7229, 1.265)}, 'CYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SG': ('CB', 'LPGA', 'LPGB', 0.88, 1.32)}, 'GLN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LPEA', 'LPEB', 0.82322, 1.14332)}, 'GLU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LP1A', 'LP1B', 0.7229, 1.265), 'OE2': ('CD', 'LP2A', 'LP2B', 0.7229, 1.265)}, 'GLY': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'HSD': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'NE2': ('LPE2', 'CE1', 'CD2', 0.808, 1.384)}, 'HSE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)}, 'HSP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ILE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'LEU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'LYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'MET': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SD': ('CE', 'LP1A', 'LP1B', 0.7808, 1.3662)}, 'PHE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'PRO': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'SER': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)}, 'THR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG1': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)}, 'TRP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'TYR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'VAL': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ALDD': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DALA': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DARG': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DASN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LPDA', 'LPDB', 0.88, 1.32)}, 'DASP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LP1A', 'LP1B', 0.7229, 1.265), 'OD2': ('CG', 'LP2A', 'LP2B', 0.7229, 1.265)}, 'DCYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SG': ('CB', 'LPGA', 'LPGB', 0.88, 1.32)}, 'DGLN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LPEA', 'LPEB', 0.82322, 1.14332)}, 'DGLU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LP1A', 'LP1B', 0.7229, 1.265), 'OE2': ('CD', 'LP2A', 'LP2B', 0.7229, 1.265)}, 'DGLY': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DHSD': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'NE2': ('LPE2', 'CE1', 'CD2', 0.808, 1.384)}, 'DHSE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)}, 'DHSP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DILE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DLEU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DLYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DMET': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SD': ('CE', 'LP1A', 'LP1B', 0.7808, 1.3662)}, 'DPHE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DPRO': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DSER': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)}, 'DTHR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG1': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)}, 'DTRP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'DTYR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'DVAL': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)}, 'ALLO': {'O1': ('C1', 'LP1A', 'LP1B', 0.85956, 1.13122), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'PSIC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8665, 1.07246), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'EGLY': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)}, 'MGLYOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162)}, 'MERYOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)}, 'DTHROL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)}, 'LTHROL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)}, 'MRIBOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'DARAOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'LARAOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'MXYLOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'MALLOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'DALTOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'LALTOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'DGLUOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'LGLUOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'DMANOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'LMANOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'DGULOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'LGULOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'DIDIOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'LIDIOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'MGALOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AGLC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BGLC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AALT': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BALT': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AALL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BALL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AGAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BGAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AGUL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BGUL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AIDO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BIDO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AMAN': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BMAN': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'ATAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BTAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'ARIB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'BRIB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'AARB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'BARB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'AXYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'BXYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'ALYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'BLYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'ADEO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'BDEO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)}, 'AFRU': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'BFRU': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)}, 'AGALA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'BGALA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'AGLCA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'BGLCA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'AIDOA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'BIDOA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'AGLCNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'BGLCNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'AGALNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'BGALNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'AMANNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'BMANNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'AXYL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'BXYL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'AFUC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'BFUC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'ARHM': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'BRHM': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'AQUI': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'BQUI': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'ARHMNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'BRHMNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'ANE5AC': {'O11': ('C1', 'LPT1', 'LPT2', 0.7229, 1.265), 'O12': ('C1', 'LPT3', 'LPT4', 0.7229, 1.265), 'O6': ('LPX6', 'LP6A', 'LP6B', 0.8889, 1.2222), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O7': ('C7', 'LP7A', 'LP7B', 0.8108, 1.2162), 'O8': ('C8', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O9': ('C9', 'LP9A', 'LP9B', 0.8108, 1.2162)}, 'BNE5AC': {'O11': ('C1', 'LPT1', 'LPT2', 0.7229, 1.265), 'O12': ('C1', 'LPT3', 'LPT4', 0.7229, 1.265), 'O6': ('LPX6', 'LP6A', 'LP6B', 0.8889, 1.2222), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O7': ('C7', 'LP7A', 'LP7B', 0.8108, 1.2162), 'O8': ('C8', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O9': ('C9', 'LP9A', 'LP9B', 0.8108, 1.2162)}, 'AALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)}, 'PALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)}, 'BALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)}, 'IBLD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)}, 'ACO': {'O1': ('C1', 'LPA', 'LPB', 0.8665, 1.07246)}, 'BTON': {'O1': ('C1', 'LPA', 'LPB', 0.8665, 1.07246)}, 'FORM': {'O': ('C', 'LPA', 'LPB', 0.819, 1.183), 'N': ('C', 'HC', 'HT', 0.796, 1.109)}, 'ACEM': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)}, 'NMA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)}, 'NEA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)}, 'NPA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)}, 'DMA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)}, 'THF': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)}, 'TF2M': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)}, 'THP': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)}, 'DIOX': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222), 'O3': ('LPX2', 'LP2A', 'LP2B', 0.8889, 1.2222)}, 'DMEE': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)}, 'MEET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)}, 'DEET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)}, 'DME': {'O2': ('LPX2', 'LP2A', 'LP2B', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'MPET': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)}, 'MBET': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)}, 'EPET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)}, 'MESH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)}, 'ETSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)}, 'PRSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)}, 'BUSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)}, 'DMS': {'S1': ('C1', 'LP1A', 'LP1B', 0.7808, 1.3662)}, 'EMS': {'S1': ('C1', 'LP1A', 'LP1B', 0.7808, 1.3662)}, 'DMDS': {'S1': ('C1', 'LP1A', 'LP1B', 0.9208, 1.0102), 'S2': ('C2', 'LP2A', 'LP2B', 0.9208, 1.0102)}, 'PHEN': {'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'CRES': {'OZ': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'PYR': {'NZ': ('LP1', 'CE1', 'CE2', 1.1611, 0.6778)}, 'PYRM': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648)}, 'IMID': {'NE2': ('LP1', 'CE1', 'CD2', 0.808, 1.384)}, '4MIM': {'NE2': ('LP1', 'CE1', 'CD2', 0.808, 1.384)}, '4MIE': {'ND1': ('LP1', 'CE1', 'CG', 0.808, 1.384)}, 'PUR0': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648), 'N7': ('LP7', 'C5', 'C8', 0.808, 1.384)}, 'PUR1': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648), 'N7': ('LP7', 'C4', 'C8', 0.808, 1.384)}, 'MEOH': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'ETOH': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'PRO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'BUO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'PRO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)}, 'BUO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)}, 'PEO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'HXO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'PEO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)}, 'B3MO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'CPO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'ACET': {'O1': ('C2', 'LP1A', 'LP1B', 0.7229, 1.265), 'O2': ('C2', 'LP2A', 'LP2B', 0.7229, 1.265)}, 'DMP': {'O11': ('O13', 'O12', 'O14', 1.0, 0.6), 'O12': ('O14', 'O11', 'O13', 1.0, 0.6), 'O13': ('P', 'O11', 'O12', 0.6, 1.0), 'O14': ('P', 'O12', 'O11', 0.6, 1.0)}, 'MP_0': {'O2': ('P1', 'LP2A', 'LP2B', 0.76473, 1.16239), 'O3': ('P1', 'LP3A', 'LP3B', 0.76473, 1.16239)}, 'MP_1': {'O2': ('P1', 'LPA', 'LPB', 0.76473, 1.16239)}, 'HP_1': {'O1': ('P1', 'LP1A', 'LP1B', 0.76473, 1.16239), 'O2': ('P1', 'LP2A', 'LP2B', 0.76473, 1.16239)}, 'HP_2': {'O1': ('P1', 'LPA', 'LPB', 0.76473, 1.16239)}, 'ETAM': {'OH1': ('C5', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'CHOL': {'OH1': ('C5', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'ACEH': {'O2': ('C2', 'LP2A', 'LP2B', 0.6968, 1.2194), 'O1': ('C2', 'LP1A', 'LP1B', 0.8108, 1.2162)}, 'MAS': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)}, 'EAS': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)}, 'MPRO': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)}, 'MBU': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)}, 'FLUB': {'F6': ('C6', 'C1', 'C5', 0.75, 1.125)}, 'MAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)}, 'EAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)}, 'PAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)}, 'PE': {'O1': ('O3', 'O2', 'O4', 1.0, 0.6), 'O2': ('O4', 'O1', 'O3', 1.0, 0.6), 'O3': ('P1', 'O1', 'O2', 0.6, 1.0), 'O4': ('P1', 'O2', 'O1', 0.6, 1.0)}, 'PC': {'O1': ('O3', 'O2', 'O4', 1.0, 0.6), 'O2': ('O4', 'O1', 'O3', 1.0, 0.6), 'O3': ('P1', 'O1', 'O2', 0.6, 1.0), 'O4': ('P1', 'O2', 'O1', 0.6, 1.0)}, 'GLYC': {'O4': ('C5', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O6': ('C5', 'LP6A', 'LP6B', 0.6968, 1.2194), 'O8': ('C9', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O10': ('C9', 'LP1A', 'LP1B', 0.6968, 1.2194)}, 'GLYP': {'O4': ('C5', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O6': ('C5', 'LP6A', 'LP6B', 0.6968, 1.2194), 'O8': ('C9', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O10': ('C9', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OP1': ('OP3', 'OP2', 'OP4', 1.0, 0.6), 'OP2': ('OP4', 'OP1', 'OP3', 1.0, 0.6), 'OP3': ('P1', 'OP1', 'OP2', 0.6, 1.0), 'OP4': ('P1', 'OP2', 'OP1', 0.6, 1.0)}, 'PRPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DMPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DPPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DSPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DOPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DLPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DPPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'POPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DOPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'POPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}, 'DLPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)}}
-patch_anisotropies = {'ACE': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'ACP': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'NNEU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)}, 'GNNU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)}, 'CTER': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'CTEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'CTEP': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'CNEU': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'CNEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'CNES': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'CT1': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'CT1G': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'ASPP': {'OD1': ('CG', 'LPP1', 'LPP2', 0.6968, 1.2194), 'OD2': ('CG', 'LPP3', 'LPP4', 0.8108, 1.2162)}, 'GLUP': {'OE1': ('CD', 'LPP1', 'LPP2', 0.6968, 1.2194), 'OE2': ('CD', 'LPP3', 'LPP4', 0.8108, 1.2162)}, 'LSN': {'NZ': ('CE', 'HZ1', 'HZ2', 0.85, 1.05)}, 'HS2': {'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)}, 'KAC': {'OH': ('CH', 'LPA', 'LPB', 0.82322, 1.14332)}, 'DACE': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'DACP': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)}, 'DNNEU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)}, 'DGNNU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)}, 'DCTER': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'DCTEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'DCTEP': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'DCTES': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)}, 'DCNEU': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'DCNEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'DCNES': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'DCT1': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'DCT1G': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)}, 'OMEA': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'OMEB': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, '1AOME': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, '1BOME': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)}, 'FOMEA': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222)}, 'FOMEB': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222)}}
-delete_anisotropies = {'OMEA': ['O5'], 'OMEB': ['O5'], '1AOME': ['O5'], '1BOME': ['O5'], 'FOMEA': ['O4'], 'FOMEB': ['O4']}
+residue_anisotropies = {
+    'ALAD': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ALA': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ARG': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ASN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LPDA', 'LPDB', 0.88, 1.32)},
+    'ASP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LP1A', 'LP1B', 0.7229, 1.265), 'OD2': ('CG', 'LP2A', 'LP2B', 0.7229, 1.265)},
+    'CYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SG': ('CB', 'LPGA', 'LPGB', 0.88, 1.32)},
+    'GLN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LPEA', 'LPEB', 0.82322, 1.14332)},
+    'GLU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LP1A', 'LP1B', 0.7229, 1.265), 'OE2': ('CD', 'LP2A', 'LP2B', 0.7229, 1.265)},
+    'GLY': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'HSD': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'NE2': ('LPE2', 'CE1', 'CD2', 0.808, 1.384)},
+    'HSE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)},
+    'HSP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ILE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'LEU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'LYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'MET': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SD': ('CE', 'LP1A', 'LP1B', 0.7808, 1.3662)},
+    'PHE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'PRO': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'SER': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)},
+    'THR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG1': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)},
+    'TRP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'TYR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'VAL': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ALDD': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DALA': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DARG': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DASN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LPDA', 'LPDB', 0.88, 1.32)},
+    'DASP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OD1': ('CG', 'LP1A', 'LP1B', 0.7229, 1.265), 'OD2': ('CG', 'LP2A', 'LP2B', 0.7229, 1.265)},
+    'DCYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SG': ('CB', 'LPGA', 'LPGB', 0.88, 1.32)},
+    'DGLN': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LPEA', 'LPEB', 0.82322, 1.14332)},
+    'DGLU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OE1': ('CD', 'LP1A', 'LP1B', 0.7229, 1.265), 'OE2': ('CD', 'LP2A', 'LP2B', 0.7229, 1.265)},
+    'DGLY': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DHSD': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'NE2': ('LPE2', 'CE1', 'CD2', 0.808, 1.384)},
+    'DHSE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)},
+    'DHSP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DILE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DLEU': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DLYS': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DMET': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'SD': ('CE', 'LP1A', 'LP1B', 0.7808, 1.3662)},
+    'DPHE': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DPRO': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DSER': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)},
+    'DTHR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OG1': ('CB', 'LPGA', 'LPGB', 0.8108, 1.2162)},
+    'DTRP': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'DTYR': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332), 'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'DVAL': {'O': ('C', 'LPOA', 'LPOB', 0.82322, 1.14332)},
+    'ALLO': {'O1': ('C1', 'LP1A', 'LP1B', 0.85956, 1.13122), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'PSIC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8665, 1.07246), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'EGLY': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)},
+    'MGLYOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162)},
+    'MERYOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)},
+    'DTHROL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)},
+    'LTHROL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162)},
+    'MRIBOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'DARAOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'LARAOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'MXYLOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'MALLOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'DALTOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'LALTOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'DGLUOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'LGLUOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'DMANOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'LMANOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'DGULOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'LGULOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'DIDIOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'LIDIOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'MGALOL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AGLC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BGLC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AALT': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BALT': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AALL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BALL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AGAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BGAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AGUL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BGUL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AIDO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BIDO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AMAN': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BMAN': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'ATAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BTAL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'ARIB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'BRIB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'AARB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'BARB': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'AXYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'BXYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'ALYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'BLYF': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'ADEO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'BDEO': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222), 'O5': ('C5', 'LP5A', 'LP5B', 0.8108, 1.2162)},
+    'AFRU': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'BFRU': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162)},
+    'AGALA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'BGALA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'AGLCA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'BGLCA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'AIDOA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'BIDOA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O61': ('C6', 'LPT1', 'LPT2', 0.7229, 1.265), 'O62': ('C6', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'AGLCNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'BGLCNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'AGALNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'BGALNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'AMANNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'BMANNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O6': ('C6', 'LP6A', 'LP6B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'AXYL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'BXYL': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'AFUC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'BFUC': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'ARHM': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'BRHM': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'AQUI': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'BQUI': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'ARHMNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'BRHMNA': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162), 'O3': ('C3', 'LP3A', 'LP3B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'ANE5AC': {'O11': ('C1', 'LPT1', 'LPT2', 0.7229, 1.265), 'O12': ('C1', 'LPT3', 'LPT4', 0.7229, 1.265), 'O6': ('LPX6', 'LP6A', 'LP6B', 0.8889, 1.2222), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O7': ('C7', 'LP7A', 'LP7B', 0.8108, 1.2162), 'O8': ('C8', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O9': ('C9', 'LP9A', 'LP9B', 0.8108, 1.2162)},
+    'BNE5AC': {'O11': ('C1', 'LPT1', 'LPT2', 0.7229, 1.265), 'O12': ('C1', 'LPT3', 'LPT4', 0.7229, 1.265), 'O6': ('LPX6', 'LP6A', 'LP6B', 0.8889, 1.2222), 'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162), 'O4': ('C4', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O': ('C', 'LPY1', 'LPY2', 0.82322, 1.14332), 'O7': ('C7', 'LP7A', 'LP7B', 0.8108, 1.2162), 'O8': ('C8', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O9': ('C9', 'LP9A', 'LP9B', 0.8108, 1.2162)},
+    'AALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)},
+    'PALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)},
+    'BALD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)},
+    'IBLD': {'O': ('C', 'LPA', 'LPB', 0.85956, 1.13122)},
+    'ACO': {'O1': ('C1', 'LPA', 'LPB', 0.8665, 1.07246)},
+    'BTON': {'O1': ('C1', 'LPA', 'LPB', 0.8665, 1.07246)},
+    'FORM': {'O': ('C', 'LPA', 'LPB', 0.819, 1.183), 'N': ('C', 'HC', 'HT', 0.796, 1.109)},
+    'ACEM': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'NMA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'NEA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'NPA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'DMA': {'O': ('C', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'THF': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)},
+    'TF2M': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)},
+    'THP': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222)},
+    'DIOX': {'O1': ('LPX', 'LP1A', 'LP1B', 0.8889, 1.2222), 'O3': ('LPX2', 'LP2A', 'LP2B', 0.8889, 1.2222)},
+    'DMEE': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)},
+    'MEET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)},
+    'DEET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)},
+    'DME': {'O2': ('LPX2', 'LP2A', 'LP2B', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'MPET': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)},
+    'MBET': {'O2': ('LPX', 'LP2A', 'LP2B', 0.8889, 1.2222)},
+    'EPET': {'O3': ('LPX', 'LP3A', 'LP3B', 0.8889, 1.2222)},
+    'MESH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)},
+    'ETSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)},
+    'PRSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)},
+    'BUSH': {'S1': ('C1', 'LP1A', 'LP1B', 0.88, 1.32)},
+    'DMS': {'S1': ('C1', 'LP1A', 'LP1B', 0.7808, 1.3662)},
+    'EMS': {'S1': ('C1', 'LP1A', 'LP1B', 0.7808, 1.3662)},
+    'DMDS': {'S1': ('C1', 'LP1A', 'LP1B', 0.9208, 1.0102), 'S2': ('C2', 'LP2A', 'LP2B', 0.9208, 1.0102)},
+    'PHEN': {'OH': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'CRES': {'OZ': ('CZ', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'PYR': {'NZ': ('LP1', 'CE1', 'CE2', 1.1611, 0.6778)},
+    'PYRM': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648)},
+    'IMID': {'NE2': ('LP1', 'CE1', 'CD2', 0.808, 1.384)},
+    '4MIM': {'NE2': ('LP1', 'CE1', 'CD2', 0.808, 1.384)},
+    '4MIE': {'ND1': ('LP1', 'CE1', 'CG', 0.808, 1.384)},
+    'PUR0': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648), 'N7': ('LP7', 'C5', 'C8', 0.808, 1.384)},
+    'PUR1': {'N1': ('LP1', 'C6', 'C2', 1.2376, 0.6648), 'N3': ('LP3', 'C4', 'C2', 1.2376, 0.6648), 'N7': ('LP7', 'C4', 'C8', 0.808, 1.384)},
+    'MEOH': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'ETOH': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'PRO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'BUO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'PRO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)},
+    'BUO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)},
+    'PEO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'HXO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'PEO2': {'O2': ('C2', 'LP2A', 'LP2B', 0.8108, 1.2162)},
+    'B3MO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'CPO1': {'O1': ('C1', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'ACET': {'O1': ('C2', 'LP1A', 'LP1B', 0.7229, 1.265), 'O2': ('C2', 'LP2A', 'LP2B', 0.7229, 1.265)},
+    'DMP': {'O11': ('O13', 'O12', 'O14', 1.0, 0.6), 'O12': ('O14', 'O11', 'O13', 1.0, 0.6), 'O13': ('P', 'O11', 'O12', 0.6, 1.0), 'O14': ('P', 'O12', 'O11', 0.6, 1.0)},
+    'MP_0': {'O2': ('P1', 'LP2A', 'LP2B', 0.76473, 1.16239), 'O3': ('P1', 'LP3A', 'LP3B', 0.76473, 1.16239)},
+    'MP_1': {'O2': ('P1', 'LPA', 'LPB', 0.76473, 1.16239)},
+    'HP_1': {'O1': ('P1', 'LP1A', 'LP1B', 0.76473, 1.16239), 'O2': ('P1', 'LP2A', 'LP2B', 0.76473, 1.16239)},
+    'HP_2': {'O1': ('P1', 'LPA', 'LPB', 0.76473, 1.16239)},
+    'ETAM': {'OH1': ('C5', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'CHOL': {'OH1': ('C5', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'ACEH': {'O2': ('C2', 'LP2A', 'LP2B', 0.6968, 1.2194), 'O1': ('C2', 'LP1A', 'LP1B', 0.8108, 1.2162)},
+    'MAS': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)},
+    'EAS': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)},
+    'MPRO': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)},
+    'MBU': {'O': ('C', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OM': ('C', 'LPMA', 'LPMB', 0.8108, 1.2162)},
+    'FLUB': {'F6': ('C6', 'C1', 'C5', 0.75, 1.125)},
+    'MAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)},
+    'EAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)},
+    'PAM1': {'N1': ('C1', 'HN1', 'HN2', 0.85, 1.05)},
+    'PE': {'O1': ('O3', 'O2', 'O4', 1.0, 0.6), 'O2': ('O4', 'O1', 'O3', 1.0, 0.6), 'O3': ('P1', 'O1', 'O2', 0.6, 1.0), 'O4': ('P1', 'O2', 'O1', 0.6, 1.0)},
+    'PC': {'O1': ('O3', 'O2', 'O4', 1.0, 0.6), 'O2': ('O4', 'O1', 'O3', 1.0, 0.6), 'O3': ('P1', 'O1', 'O2', 0.6, 1.0), 'O4': ('P1', 'O2', 'O1', 0.6, 1.0)},
+    'GLYC': {'O4': ('C5', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O6': ('C5', 'LP6A', 'LP6B', 0.6968, 1.2194), 'O8': ('C9', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O10': ('C9', 'LP1A', 'LP1B', 0.6968, 1.2194)},
+    'GLYP': {'O4': ('C5', 'LP4A', 'LP4B', 0.8108, 1.2162), 'O6': ('C5', 'LP6A', 'LP6B', 0.6968, 1.2194), 'O8': ('C9', 'LP8A', 'LP8B', 0.8108, 1.2162), 'O10': ('C9', 'LP1A', 'LP1B', 0.6968, 1.2194), 'OP1': ('OP3', 'OP2', 'OP4', 1.0, 0.6), 'OP2': ('OP4', 'OP1', 'OP3', 1.0, 0.6), 'OP3': ('P1', 'OP1', 'OP2', 0.6, 1.0), 'OP4': ('P1', 'OP2', 'OP1', 0.6, 1.0)},
+    'PRPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DMPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DPPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DSPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DOPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DLPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DPPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'POPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DOPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'POPE': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+    'DLPC': {'O22': ('C21', 'LP1A', 'LP1B', 0.6968, 1.2194), 'O32': ('C31', 'LP1C', 'LP1D', 0.6968, 1.2194), 'O21': ('C21', 'LPMA', 'LPMB', 0.8108, 1.2162), 'O31': ('C31', 'LPMC', 'LPMD', 0.8108, 1.2162), 'O12': ('O13', 'O11', 'O14', 1.0, 0.6), 'O11': ('O14', 'O12', 'O13', 1.0, 0.6), 'O13': ('P', 'O12', 'O11', 0.6, 1.0), 'O14': ('P', 'O11', 'O12', 0.6, 1.0)},
+}
+patch_anisotropies = {
+    'ACE': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'ACP': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'NNEU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)},
+    'GNNU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)},
+    'CTER': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'CTEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'CTEP': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'CNEU': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'CNEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'CT1': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'CT1G': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'ASPP': {'OD1': ('CG', 'LPP1', 'LPP2', 0.6968, 1.2194), 'OD2': ('CG', 'LPP3', 'LPP4', 0.8108, 1.2162)},
+    'GLUP': {'OE1': ('CD', 'LPP1', 'LPP2', 0.6968, 1.2194), 'OE2': ('CD', 'LPP3', 'LPP4', 0.8108, 1.2162)},
+    'LSN': {'NZ': ('CE', 'HZ1', 'HZ2', 0.85, 1.05)},
+    'HS2': {'ND1': ('LPD1', 'CE1', 'CG', 0.808, 1.384)},
+    'KAC': {'OH': ('CH', 'LPA', 'LPB', 0.82322, 1.14332)},
+    'DACE': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'DACP': {'OY': ('CY', 'LPY1', 'LPY2', 0.82322, 1.14332)},
+    'DNNEU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)},
+    'DGNNU': {'N': ('CA', 'HT1', 'HT2', 0.85, 1.05)},
+    'DCTER': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'DCTEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'DCTEP': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'DCTES': {'OT1': ('C', 'LPT1', 'LPT2', 0.7229, 1.265), 'OT2': ('C', 'LPT3', 'LPT4', 0.7229, 1.265)},
+    'DCNEU': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'DCNEG': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'DCNES': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'DCT1': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'DCT1G': {'OT1': ('C', 'LPT1', 'LPT2', 0.6968, 1.2194), 'OT2': ('C', 'LPT3', 'LPT4', 0.8108, 1.2162)},
+    'OMEA': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'OMEB': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    '1AOME': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    '1BOME': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O5': ('LPX5', 'LP5A', 'LP5B', 0.8889, 1.2222)},
+    'FOMEA': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222)},
+    'FOMEB': {'O1': ('LPX1', 'LPMA', 'LPMB', 0.8889, 1.2222), 'O4': ('LPX4', 'LP4A', 'LP4B', 0.8889, 1.2222)},
+}
+delete_anisotropies = {
+    'OMEA': ['O5'],
+    'OMEB': ['O5'],
+    '1AOME': ['O5'],
+    '1BOME': ['O5'],
+    'FOMEA': ['O4'],
+    'FOMEB': ['O4'],
+}
+
+residue_order = {
+    'ALAD': 0,
+    'ALA': 1,
+    'ARG': 2,
+    'ASN': 3,
+    'ASP': 4,
+    'CYS': 5,
+    'GLN': 6,
+    'GLU': 7,
+    'GLY': 8,
+    'HSD': 9,
+    'HSE': 10,
+    'HSP': 11,
+    'ILE': 12,
+    'LEU': 13,
+    'LYS': 14,
+    'MET': 15,
+    'PHE': 16,
+    'PRO': 17,
+    'SER': 18,
+    'THR': 19,
+    'TRP': 20,
+    'TYR': 21,
+    'VAL': 22,
+    'ALDD': 23,
+    'DALA': 24,
+    'DARG': 25,
+    'DASN': 26,
+    'DASP': 27,
+    'DCYS': 28,
+    'DGLN': 29,
+    'DGLU': 30,
+    'DGLY': 31,
+    'DHSD': 32,
+    'DHSE': 33,
+    'DHSP': 34,
+    'DILE': 35,
+    'DLEU': 36,
+    'DLYS': 37,
+    'DMET': 38,
+    'DPHE': 39,
+    'DPRO': 40,
+    'DSER': 41,
+    'DTHR': 42,
+    'DTRP': 43,
+    'DTYR': 44,
+    'DVAL': 45,
+    'ALLO': 46,
+    'PSIC': 47,
+    'EGLY': 48,
+    'MGLYOL': 49,
+    'MERYOL': 50,
+    'DTHROL': 51,
+    'LTHROL': 52,
+    'MRIBOL': 53,
+    'DARAOL': 54,
+    'LARAOL': 55,
+    'MXYLOL': 56,
+    'MALLOL': 57,
+    'DALTOL': 58,
+    'LALTOL': 59,
+    'DGLUOL': 60,
+    'LGLUOL': 61,
+    'DMANOL': 62,
+    'LMANOL': 63,
+    'DGULOL': 64,
+    'LGULOL': 65,
+    'DIDIOL': 66,
+    'LIDIOL': 67,
+    'MGALOL': 68,
+    'AGLC': 69,
+    'BGLC': 70,
+    'AALT': 71,
+    'BALT': 72,
+    'AALL': 73,
+    'BALL': 74,
+    'AGAL': 75,
+    'BGAL': 76,
+    'AGUL': 77,
+    'BGUL': 78,
+    'AIDO': 79,
+    'BIDO': 80,
+    'AMAN': 81,
+    'BMAN': 82,
+    'ATAL': 83,
+    'BTAL': 84,
+    'ARIB': 85,
+    'BRIB': 86,
+    'AARB': 87,
+    'BARB': 88,
+    'AXYF': 89,
+    'BXYF': 90,
+    'ALYF': 91,
+    'BLYF': 92,
+    'ADEO': 93,
+    'BDEO': 94,
+    'AFRU': 95,
+    'BFRU': 96,
+    'AGALA': 97,
+    'BGALA': 98,
+    'AGLCA': 99,
+    'BGLCA': 100,
+    'AIDOA': 101,
+    'BIDOA': 102,
+    'AGLCNA': 103,
+    'BGLCNA': 104,
+    'AGALNA': 105,
+    'BGALNA': 106,
+    'AMANNA': 107,
+    'BMANNA': 108,
+    'AXYL': 109,
+    'BXYL': 110,
+    'AFUC': 111,
+    'BFUC': 112,
+    'ARHM': 113,
+    'BRHM': 114,
+    'AQUI': 115,
+    'BQUI': 116,
+    'ARHMNA': 117,
+    'BRHMNA': 118,
+    'ANE5AC': 119,
+    'BNE5AC': 120,
+    'AALD': 121,
+    'PALD': 122,
+    'BALD': 123,
+    'IBLD': 124,
+    'ACO': 125,
+    'BTON': 126,
+    'FORM': 127,
+    'ACEM': 128,
+    'NMA': 129,
+    'NEA': 130,
+    'NPA': 131,
+    'DMA': 132,
+    'THF': 133,
+    'TF2M': 134,
+    'THP': 135,
+    'DIOX': 136,
+    'DMEE': 137,
+    'MEET': 138,
+    'DEET': 139,
+    'DME': 140,
+    'MPET': 141,
+    'MBET': 142,
+    'EPET': 143,
+    'MESH': 144,
+    'ETSH': 145,
+    'PRSH': 146,
+    'BUSH': 147,
+    'DMS': 148,
+    'EMS': 149,
+    'DMDS': 150,
+    'PHEN': 151,
+    'CRES': 152,
+    'PYR': 153,
+    'PYRM': 154,
+    'IMID': 155,
+    '4MIM': 156,
+    '4MIE': 157,
+    'PUR0': 158,
+    'PUR1': 159,
+    'MEOH': 160,
+    'ETOH': 161,
+    'PRO1': 162,
+    'BUO1': 163,
+    'PRO2': 164,
+    'BUO2': 165,
+    'PEO1': 166,
+    'HXO1': 167,
+    'PEO2': 168,
+    'B3MO1': 169,
+    'CPO1': 170,
+    'ACET': 171,
+    'DMP': 172,
+    'MP_0': 173,
+    'MP_1': 174,
+    'HP_1': 175,
+    'HP_2': 176,
+    'ETAM': 177,
+    'CHOL': 178,
+    'ACEH': 179,
+    'MAS': 180,
+    'EAS': 181,
+    'MPRO': 182,
+    'MBU': 183,
+    'FLUB': 184,
+    'MAM1': 185,
+    'EAM1': 186,
+    'PAM1': 187,
+    'PE': 188,
+    'PC': 189,
+    'GLYC': 190,
+    'GLYP': 191,
+    'PRPC': 192,
+    'DMPC': 193,
+    'DPPC': 194,
+    'DSPC': 195,
+    'DOPC': 196,
+    'DLPE': 197,
+    'DPPE': 198,
+    'POPC': 199,
+    'DOPE': 200,
+    'POPE': 201,
+    'DLPC': 202,
+}
+patch_order = {
+    'ACE': 0,
+    'ACP': 1,
+    'NNEU': 2,
+    'GNNU': 3,
+    'CTER': 4,
+    'CTEG': 5,
+    'CTEP': 6,
+    'CNEU': 7,
+    'CNEG': 8,
+    'CT1': 9,
+    'CT1G': 10,
+    'ASPP': 11,
+    'GLUP': 12,
+    'LSN': 13,
+    'HS2': 14,
+    'KAC': 15,
+    'DACE': 16,
+    'DACP': 17,
+    'DNNEU': 18,
+    'DGNNU': 19,
+    'DCTER': 20,
+    'DCTEG': 21,
+    'DCTEP': 22,
+    'DCTES': 23,
+    'DCNEU': 24,
+    'DCNEG': 25,
+    'DCNES': 26,
+    'DCT1': 27,
+    'DCT1G': 28,
+    'OMEA': 29,
+    'OMEB': 30,
+    '1AOME': 31,
+    '1BOME': 32,
+    'FOMEA': 33,
+    'FOMEB': 34,
+}
+
+def extract_atom_name(raw_atom_name, templates):
+    # Process Drude particles.
+    atom_name_prefix = ""
+    if raw_atom_name.startswith("Drude-"):
+        raw_atom_name = raw_atom_name[len("Drude-"):]
+        atom_name_prefix = "D"
 
-residue_order = {'ALAD': 0, 'ALA': 1, 'ARG': 2, 'ASN': 3, 'ASP': 4, 'CYS': 5, 'GLN': 6, 'GLU': 7, 'GLY': 8, 'HSD': 9, 'HSE': 10, 'HSP': 11, 'ILE': 12, 'LEU': 13, 'LYS': 14, 'MET': 15, 'PHE': 16, 'PRO': 17, 'SER': 18, 'THR': 19, 'TRP': 20, 'TYR': 21, 'VAL': 22, 'ALDD': 23, 'DALA': 24, 'DARG': 25, 'DASN': 26, 'DASP': 27, 'DCYS': 28, 'DGLN': 29, 'DGLU': 30, 'DGLY': 31, 'DHSD': 32, 'DHSE': 33, 'DHSP': 34, 'DILE': 35, 'DLEU': 36, 'DLYS': 37, 'DMET': 38, 'DPHE': 39, 'DPRO': 40, 'DSER': 41, 'DTHR': 42, 'DTRP': 43, 'DTYR': 44, 'DVAL': 45, 'ALLO': 46, 'PSIC': 47, 'EGLY': 48, 'MGLYOL': 49, 'MERYOL': 50, 'DTHROL': 51, 'LTHROL': 52, 'MRIBOL': 53, 'DARAOL': 54, 'LARAOL': 55, 'MXYLOL': 56, 'MALLOL': 57, 'DALTOL': 58, 'LALTOL': 59, 'DGLUOL': 60, 'LGLUOL': 61, 'DMANOL': 62, 'LMANOL': 63, 'DGULOL': 64, 'LGULOL': 65, 'DIDIOL': 66, 'LIDIOL': 67, 'MGALOL': 68, 'AGLC': 69, 'BGLC': 70, 'AALT': 71, 'BALT': 72, 'AALL': 73, 'BALL': 74, 'AGAL': 75, 'BGAL': 76, 'AGUL': 77, 'BGUL': 78, 'AIDO': 79, 'BIDO': 80, 'AMAN': 81, 'BMAN': 82, 'ATAL': 83, 'BTAL': 84, 'ARIB': 85, 'BRIB': 86, 'AARB': 87, 'BARB': 88, 'AXYF': 89, 'BXYF': 90, 'ALYF': 91, 'BLYF': 92, 'ADEO': 93, 'BDEO': 94, 'AFRU': 95, 'BFRU': 96, 'AGALA': 97, 'BGALA': 98, 'AGLCA': 99, 'BGLCA': 100, 'AIDOA': 101, 'BIDOA': 102, 'AGLCNA': 103, 'BGLCNA': 104, 'AGALNA': 105, 'BGALNA': 106, 'AMANNA': 107, 'BMANNA': 108, 'AXYL': 109, 'BXYL': 110, 'AFUC': 111, 'BFUC': 112, 'ARHM': 113, 'BRHM': 114, 'AQUI': 115, 'BQUI': 116, 'ARHMNA': 117, 'BRHMNA': 118, 'ANE5AC': 119, 'BNE5AC': 120, 'AALD': 121, 'PALD': 122, 'BALD': 123, 'IBLD': 124, 'ACO': 125, 'BTON': 126, 'FORM': 127, 'ACEM': 128, 'NMA': 129, 'NEA': 130, 'NPA': 131, 'DMA': 132, 'THF': 133, 'TF2M': 134, 'THP': 135, 'DIOX': 136, 'DMEE': 137, 'MEET': 138, 'DEET': 139, 'DME': 140, 'MPET': 141, 'MBET': 142, 'EPET': 143, 'MESH': 144, 'ETSH': 145, 'PRSH': 146, 'BUSH': 147, 'DMS': 148, 'EMS': 149, 'DMDS': 150, 'PHEN': 151, 'CRES': 152, 'PYR': 153, 'PYRM': 154, 'IMID': 155, '4MIM': 156, '4MIE': 157, 'PUR0': 158, 'PUR1': 159, 'MEOH': 160, 'ETOH': 161, 'PRO1': 162, 'BUO1': 163, 'PRO2': 164, 'BUO2': 165, 'PEO1': 166, 'HXO1': 167, 'PEO2': 168, 'B3MO1': 169, 'CPO1': 170, 'ACET': 171, 'DMP': 172, 'MP_0': 173, 'MP_1': 174, 'HP_1': 175, 'HP_2': 176, 'ETAM': 177, 'CHOL': 178, 'ACEH': 179, 'MAS': 180, 'EAS': 181, 'MPRO': 182, 'MBU': 183, 'FLUB': 184, 'MAM1': 185, 'EAM1': 186, 'PAM1': 187, 'PE': 188, 'PC': 189, 'GLYC': 190, 'GLYP': 191, 'PRPC': 192, 'DMPC': 193, 'DPPC': 194, 'DSPC': 195, 'DOPC': 196, 'DLPE': 197, 'DPPE': 198, 'POPC': 199, 'DOPE': 200, 'POPE': 201, 'DLPC': 202}
-patch_order = {'ACE': 0, 'ACP': 1, 'NNEU': 2, 'GNNU': 3, 'CTER': 4, 'CTEG': 5, 'CTEP': 6, 'CNEU': 7, 'CNEG': 8, 'CNES': 9, 'CT1': 10, 'CT1G': 11, 'ASPP': 12, 'GLUP': 13, 'LSN': 14, 'HS2': 15, 'KAC': 16, 'DACE': 17, 'DACP': 18, 'DNNEU': 19, 'DGNNU': 20, 'DCTER': 21, 'DCTEG': 22, 'DCTEP': 23, 'DCTES': 24, 'DCNEU': 25, 'DCNEG': 26, 'DCNES': 27, 'DCT1': 28, 'DCT1G': 29, 'OMEA': 30, 'OMEB': 31, '1AOME': 32, '1BOME': 33, 'FOMEA': 34, 'FOMEB': 35}
+    # Return None to indicate an atom without template name information.
+    atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
+    if len(atom_name_parts) &lt; 2:
+        return None
+    templates.add(atom_name_parts[0])
+    return f"{atom_name_prefix}{atom_name_parts[1]}"
 
 residue_data = []
 
-for residue in topology.residues():
-    # Extract the residue or patch names and atom names from the atom type names.
-    templates = []
-    atom_names = []
-    for atom in residue.atoms():
-        raw_atom_name = data.atomType[atom]
-        atom_is_drude = raw_atom_name.startswith("Drude-")
-        if atom_is_drude:
-            atom_name_parts = raw_atom_name[len("Drude-"):].rsplit("-", maxsplit=1)
-            atom_names.append(f"D{atom_name_parts[1]}")
-        else:
-            atom_name_parts = raw_atom_name.rsplit("-", maxsplit=1)
-            atom_names.append(atom_name_parts[1])
-        templates.append(atom_name_parts[0])
+for residue_index, residue in enumerate(topology.residues()):
+    # Extract the residue or patch names and atom names.
+    template_data = templateForResidue[residue_index]
+    templates = set()
+    if template_data is None:
+        # Multi-residue patch; fall back to parsing atom names because OpenMM
+        # leaves None in templateForResidue in this case.
+        atom_names = []
+        skip_residue = False
+        for atom in residue.atoms():
+            atom_name = extract_atom_name(data.atomType[atom], templates)
+            if atom_name is None:
+                # Skip residues containing atoms without template name data
+                # (they might be from, e.g., another solvent force field file).
+                skip_residue = True
+                break
+            atom_names.append(atom_name)
+        if skip_residue:
+            residue_data.append(([], [], []))
+            continue
+    else:
+        # Extract names from template name.
+        for template_index, template_name in enumerate(template_data.name.split("-")):
+            if template_index:
+                # Patch name.
+                templates.add(template_name.rsplit("_", maxsplit=1)[0])
+            else:
+                # Residue name.
+                templates.add(template_name)
+        atom_names = [template_data.atoms[data.atomTemplateIndexes[atom]].name for atom in residue.atoms()]
 
     # Get all unique residue or patch names that have anisotropies.
-    templates = set(templates)
     residue_templates = sorted(
         (template for template in templates if template in residue_anisotropies), key=residue_order.get
     )
diff --git a/wrappers/python/setup.py b/wrappers/python/setup.py
index 1dc49672c0..ca26e66a54 100644
--- a/wrappers/python/setup.py
+++ b/wrappers/python/setup.py
@@ -153,7 +153,7 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
                                           "openmm.app.internal.pdbx.writer"]
     setupKeywords["data_files"]        = []
     setupKeywords["package_data"]      = {"openmm" : [],
-                                          "openmm.app" : ['data/*.xml', 'data/*.pdb', 'data/amber14/*.xml', 'data/amber19/*.xml', 'data/charmm36/*.xml', 'data/implicit/*.xml'],
+                                          "openmm.app" : ['data/*.xml', 'data/*.pdb', 'data/amber14/*.xml', 'data/amber19/*.xml', 'data/charmm36/*.xml', 'data/charmm36_2024/*.xml', 'data/implicit/*.xml'],
                                           "openmm.app.internal" : []}
     setupKeywords["install_requires"]  = ["numpy"]
     setupKeywords["platforms"]         = ["Linux", "Mac OS X", "Windows"]