diff -Naur lammps-30Mar07/doc/Section_start.html lammps-2Apr07/doc/Section_start.html
--- lammps-30Mar07/doc/Section_start.html	2007-03-09 08:44:22.000000000 -0700
+++ lammps-2Apr07/doc/Section_start.html	2007-04-02 08:26:01.169161000 -0600
@@ -428,10 +428,15 @@
 </PRE>
 <P>The screen output from LAMMPS is described in the next section.  As it
 runs, LAMMPS also writes a log.lammps file with the same information.
-Note that this sequence of commands copied the LAMMPS executable
-(lmp_linux) to the directory with the input files.  If you don't do
-this, LAMMPS may look for input files or create output files in the
-directory where the executable is, rather than where you run it from.
+</P>
+<P>Note that this sequence of commands copies the LAMMPS executable
+(lmp_linux) to the directory with the input files.  This may not be
+necessary, but some versions of MPI reset the working directory to
+where the executable is, rather than leave it as the directory where
+you launch mpirun from.  If that happens, LAMMPS will look for
+additional input files and write its output files to the executable
+directory, rather than your working directory, which is probably not
+what you want.
 </P>
 <P>If LAMMPS encounters errors in the input script or while running a
 simulation it will print an ERROR message and stop or a WARNING
diff -Naur lammps-30Mar07/doc/Section_start.txt lammps-2Apr07/doc/Section_start.txt
--- lammps-30Mar07/doc/Section_start.txt	2007-03-09 08:44:22.000000000 -0700
+++ lammps-2Apr07/doc/Section_start.txt	2007-04-02 08:26:01.169161000 -0600
@@ -421,10 +421,15 @@
 
 The screen output from LAMMPS is described in the next section.  As it
 runs, LAMMPS also writes a log.lammps file with the same information.
-Note that this sequence of commands copied the LAMMPS executable
-(lmp_linux) to the directory with the input files.  If you don't do
-this, LAMMPS may look for input files or create output files in the
-directory where the executable is, rather than where you run it from.
+
+Note that this sequence of commands copies the LAMMPS executable
+(lmp_linux) to the directory with the input files.  This may not be
+necessary, but some versions of MPI reset the working directory to
+where the executable is, rather than leave it as the directory where
+you launch mpirun from.  If that happens, LAMMPS will look for
+additional input files and write its output files to the executable
+directory, rather than your working directory, which is probably not
+what you want.
 
 If LAMMPS encounters errors in the input script or while running a
 simulation it will print an ERROR message and stop or a WARNING
diff -Naur lammps-30Mar07/doc/create_box.html lammps-2Apr07/doc/create_box.html
--- lammps-30Mar07/doc/create_box.html	2007-03-22 09:37:43.000000000 -0600
+++ lammps-2Apr07/doc/create_box.html	2007-04-02 08:26:01.169161000 -0600
@@ -43,19 +43,21 @@
 origin given by a = (xhi-xlo,0,0); b = (xy,yhi-ylo,0); c =
 (xz,yz,zhi-zlo).
 </P>
-<P>A prism region used with the create_box command must have skew factors
-(xy,xz,yz) that do not skew the box more than half the distance of its
-side lengths.  For example, if ylo = 2 and yhi = 12, then the y box
-length is 10 and the xy factor must be between -5 and 5.  Similary xz
-must be between -(zhi-zlo)/2 and +(zhi-zlo)/2 and yz must be between
--(zhi-zlo)/2 and +(zhi-zlo)/2.
+<P>A prism region used with the create_box command must have tilt factors
+(xy,xz,yz) that do not skew the box more than half the distance of the
+opposing box length.  For example, if ylo = 2 and yhi = 12, then the y
+box length is 10 and the xy tilt factor must be between -5 and 5.
+Similarly, both xz and yz must be between -(zhi-zlo)/2 and
++(zhi-zlo)/2.  From a mechanics persepctive this is equivalent to
+saying the shear strain of the system (sideways displacement divided
+by perpendicular box length) must be between -0.5 and 0.5.
 </P>
 <P>When a prism region is used, the simulation domain must be periodic in
-any dimensions with a non-zero skew factor, as defined by the
-<A HREF = "boundary.html">boundary</A> command.  I.e. if the xy factor is non-zero,
-then both the x and y dimensions must be periodic.  Similarly, x and z
-must be periodic if xz is non-zero and y and z must be periodic if yz
-is non-zero.
+any dimensions with a non-zero tilt factor, as defined by the
+<A HREF = "boundary.html">boundary</A> command.  I.e. if the xy tilt factor is
+non-zero, then both the x and y dimensions must be periodic.
+Similarly, x and z must be periodic if xz is non-zero and y and z must
+be periodic if yz is non-zero.
 </P>
 <P><B>Restrictions:</B>
 </P>
diff -Naur lammps-30Mar07/doc/create_box.txt lammps-2Apr07/doc/create_box.txt
--- lammps-30Mar07/doc/create_box.txt	2007-03-22 09:36:44.000000000 -0600
+++ lammps-2Apr07/doc/create_box.txt	2007-04-02 08:26:01.169161000 -0600
@@ -40,19 +40,21 @@
 origin given by a = (xhi-xlo,0,0); b = (xy,yhi-ylo,0); c =
 (xz,yz,zhi-zlo).
 
-A prism region used with the create_box command must have skew factors
-(xy,xz,yz) that do not skew the box more than half the distance of its
-side lengths.  For example, if ylo = 2 and yhi = 12, then the y box
-length is 10 and the xy factor must be between -5 and 5.  Similary xz
-must be between -(zhi-zlo)/2 and +(zhi-zlo)/2 and yz must be between
--(zhi-zlo)/2 and +(zhi-zlo)/2.
+A prism region used with the create_box command must have tilt factors
+(xy,xz,yz) that do not skew the box more than half the distance of the
+opposing box length.  For example, if ylo = 2 and yhi = 12, then the y
+box length is 10 and the xy tilt factor must be between -5 and 5.
+Similarly, both xz and yz must be between -(zhi-zlo)/2 and
++(zhi-zlo)/2.  From a mechanics persepctive this is equivalent to
+saying the shear strain of the system (sideways displacement divided
+by perpendicular box length) must be between -0.5 and 0.5.
 
 When a prism region is used, the simulation domain must be periodic in
-any dimensions with a non-zero skew factor, as defined by the
-"boundary"_boundary.html command.  I.e. if the xy factor is non-zero,
-then both the x and y dimensions must be periodic.  Similarly, x and z
-must be periodic if xz is non-zero and y and z must be periodic if yz
-is non-zero.
+any dimensions with a non-zero tilt factor, as defined by the
+"boundary"_boundary.html command.  I.e. if the xy tilt factor is
+non-zero, then both the x and y dimensions must be periodic.
+Similarly, x and z must be periodic if xz is non-zero and y and z must
+be periodic if yz is non-zero.
 
 [Restrictions:]
 
diff -Naur lammps-30Mar07/doc/fix_recenter.html lammps-2Apr07/doc/fix_recenter.html
--- lammps-30Mar07/doc/fix_recenter.html	2007-02-19 11:03:15.000000000 -0700
+++ lammps-2Apr07/doc/fix_recenter.html	2007-04-02 08:26:01.169161000 -0600
@@ -88,8 +88,8 @@
 shift in the system on the 1st timestep, due to the requested COM
 being very different from the initial COM.  This could cause atoms to
 be lost,especially in parallel.  Instead, use the
-<A HREF = "displace_atoms.html">displace_atoms</A> command, which can be used
-several times in succession to move atoms a large distance.
+<A HREF = "displace_atoms.html">displace_atoms</A> command, which can be used to
+move atoms a large distance.
 </P>
 <P><B>Related commands:</B>
 </P>
diff -Naur lammps-30Mar07/doc/fix_recenter.txt lammps-2Apr07/doc/fix_recenter.txt
--- lammps-30Mar07/doc/fix_recenter.txt	2007-02-19 11:03:15.000000000 -0700
+++ lammps-2Apr07/doc/fix_recenter.txt	2007-04-02 08:26:01.169161000 -0600
@@ -80,8 +80,8 @@
 shift in the system on the 1st timestep, due to the requested COM
 being very different from the initial COM.  This could cause atoms to
 be lost,especially in parallel.  Instead, use the
-"displace_atoms"_displace_atoms.html command, which can be used
-several times in succession to move atoms a large distance.
+"displace_atoms"_displace_atoms.html command, which can be used to
+move atoms a large distance.
 
 [Related commands:]
 
diff -Naur lammps-30Mar07/doc/fix_volume_rescale.html lammps-2Apr07/doc/fix_volume_rescale.html
--- lammps-30Mar07/doc/fix_volume_rescale.html	2006-09-21 10:22:34.000000000 -0600
+++ lammps-2Apr07/doc/fix_volume_rescale.html	2007-04-02 08:26:01.169161000 -0600
@@ -41,7 +41,8 @@
 by this command must be periodic - see the <A HREF = "boundary.html">boundary</A>
 command.  Dimensions not varied by this command can be periodic or
 non-periodic.  The volume associated with an unspecified dimension can
-also be controlled by a <A HREF = "fix_npt.html">fix npt</A> command.
+also be controlled by a <A HREF = "fix_npt.html">fix npt</A> or <A HREF = "fix_nph.html">fix
+nph</A> command.
 </P>
 <P>The initial simulation box boundaries at the beginning of a run are
 specified by the <A HREF = "create_box.html">create_box</A> or
diff -Naur lammps-30Mar07/doc/fix_volume_rescale.txt lammps-2Apr07/doc/fix_volume_rescale.txt
--- lammps-30Mar07/doc/fix_volume_rescale.txt	2006-09-21 10:22:34.000000000 -0600
+++ lammps-2Apr07/doc/fix_volume_rescale.txt	2007-04-02 08:26:01.169161000 -0600
@@ -32,7 +32,8 @@
 by this command must be periodic - see the "boundary"_boundary.html
 command.  Dimensions not varied by this command can be periodic or
 non-periodic.  The volume associated with an unspecified dimension can
-also be controlled by a "fix npt"_fix_npt.html command.
+also be controlled by a "fix npt"_fix_npt.html or "fix
+nph"_fix_nph.html command.
 
 The initial simulation box boundaries at the beginning of a run are
 specified by the "create_box"_create_box.html or
@@ -55,7 +56,3 @@
 [Related commands:] none
 
 [Default:] none
-
-
-
-
diff -Naur lammps-30Mar07/doc/pair_buck.html lammps-2Apr07/doc/pair_buck.html
--- lammps-30Mar07/doc/pair_buck.html	2007-02-09 14:40:32.000000000 -0700
+++ lammps-2Apr07/doc/pair_buck.html	2007-04-02 09:51:15.661152000 -0600
@@ -79,6 +79,8 @@
 the LJ and Coulombic cutoffs for this type pair.  You cannot specify 2
 cutoffs for style <I>buck</I>, since it has no Coulombic terms.
 </P>
+<P>The second coefficient, rho, must be greater than zero.
+</P>
 <P>For <I>buck/coul/long</I> only the LJ cutoff can be specified since a
 Coulombic cutoff cannot be specified for an individual I,J type pair.
 All type pairs use the same global Coulombic cutoff specified in the
diff -Naur lammps-30Mar07/doc/pair_buck.txt lammps-2Apr07/doc/pair_buck.txt
--- lammps-30Mar07/doc/pair_buck.txt	2007-02-09 14:40:32.000000000 -0700
+++ lammps-2Apr07/doc/pair_buck.txt	2007-04-02 09:51:15.661152000 -0600
@@ -73,6 +73,8 @@
 the LJ and Coulombic cutoffs for this type pair.  You cannot specify 2
 cutoffs for style {buck}, since it has no Coulombic terms.
 
+The second coefficient, rho, must be greater than zero.
+
 For {buck/coul/long} only the LJ cutoff can be specified since a
 Coulombic cutoff cannot be specified for an individual I,J type pair.
 All type pairs use the same global Coulombic cutoff specified in the
diff -Naur lammps-30Mar07/doc/read_data.html lammps-2Apr07/doc/read_data.html
--- lammps-30Mar07/doc/read_data.html	2007-03-06 08:13:57.000000000 -0700
+++ lammps-2Apr07/doc/read_data.html	2007-04-02 08:26:01.169161000 -0600
@@ -92,19 +92,22 @@
 LAMMPS creates a non-orthogonal simulation domain shaped as a
 parallelepiped with triclinic symmetry.  See the <A HREF = "region.html">region
 prism</A> command for a description of how the extent of the
-parallelepiped is defined.  Basically, the parallelepiped has its
-"origin" at (xlo,ylo,zlo) and 3 edge vectors starting from the origin
-given by a = (xhi-xlo,0,0); b = (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
-</P>
-<P>The skew factors (xy,xz,yz) must not skew the box more than half the
-distance of its side lengths.  For example, if ylo = 2 and yhi = 12,
-then the y box length is 10 and the xy factor must be between -5 and
-5.  Similary xz must be between -(zhi-zlo)/2 and +(zhi-zlo)/2 and yz
-must be between -(zhi-zlo)/2 and +(zhi-zlo)/2.
+parallelepiped is defined.  The parallelepiped has its "origin" at
+(xlo,ylo,zlo) and 3 edge vectors starting from the origin given by a =
+(xhi-xlo,0,0); b = (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
+</P>
+<P>The tilt factors (xy,xz,yz) must not skew the box more than half the
+distance of the opposing box length.  For example, if ylo = 2 and yhi
+= 12, then the y box length is 10 and the xy tilt factor must be
+between -5 and 5.  Similarly, both xz and yz must be between
+-(zhi-zlo)/2 and +(zhi-zlo)/2.  From a mechanics persepctive this is
+equivalent to saying the shear strain of the system (sideways
+displacement divided by perpendicular box length) must be between -0.5
+and 0.5.
 </P>
 <P>When a triclinic system is used, the simulation domain must be
-periodic in any dimensions with a non-zero skew factor, as defined by
-the <A HREF = "boundary.html">boundary</A> command.  I.e. if the xy factor is
+periodic in any dimensions with a non-zero tilt factor, as defined by
+the <A HREF = "boundary.html">boundary</A> command.  I.e. if the xy tilt factor is
 non-zero, then both the x and y dimensions must be periodic.
 Similarly, x and z must be periodic if xz is non-zero and y and z must
 be periodic if yz is non-zero.
@@ -112,7 +115,7 @@
 <P>For 2d simulations, the <I>zlo zhi</I> values should be set to bound the z
 coords for atoms that appear in the file; the default of -0.5 0.5 is
 valid if all z coords are 0.0.  For 2d triclinic simulations, the xz
-and yz skew factors must be 0.0.
+and yz tilt factors must be 0.0.
 </P>
 <P>If the system is non-periodic (in a dimension), then all atoms in the
 data file should have coordinates (in that dimension) between the lo
diff -Naur lammps-30Mar07/doc/read_data.txt lammps-2Apr07/doc/read_data.txt
--- lammps-30Mar07/doc/read_data.txt	2007-03-06 08:13:57.000000000 -0700
+++ lammps-2Apr07/doc/read_data.txt	2007-04-02 08:26:01.169161000 -0600
@@ -87,19 +87,22 @@
 LAMMPS creates a non-orthogonal simulation domain shaped as a
 parallelepiped with triclinic symmetry.  See the "region
 prism"_region.html command for a description of how the extent of the
-parallelepiped is defined.  Basically, the parallelepiped has its
-"origin" at (xlo,ylo,zlo) and 3 edge vectors starting from the origin
-given by a = (xhi-xlo,0,0); b = (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
-
-The skew factors (xy,xz,yz) must not skew the box more than half the
-distance of its side lengths.  For example, if ylo = 2 and yhi = 12,
-then the y box length is 10 and the xy factor must be between -5 and
-5.  Similary xz must be between -(zhi-zlo)/2 and +(zhi-zlo)/2 and yz
-must be between -(zhi-zlo)/2 and +(zhi-zlo)/2.
+parallelepiped is defined.  The parallelepiped has its "origin" at
+(xlo,ylo,zlo) and 3 edge vectors starting from the origin given by a =
+(xhi-xlo,0,0); b = (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
+
+The tilt factors (xy,xz,yz) must not skew the box more than half the
+distance of the opposing box length.  For example, if ylo = 2 and yhi
+= 12, then the y box length is 10 and the xy tilt factor must be
+between -5 and 5.  Similarly, both xz and yz must be between
+-(zhi-zlo)/2 and +(zhi-zlo)/2.  From a mechanics persepctive this is
+equivalent to saying the shear strain of the system (sideways
+displacement divided by perpendicular box length) must be between -0.5
+and 0.5.
 
 When a triclinic system is used, the simulation domain must be
-periodic in any dimensions with a non-zero skew factor, as defined by
-the "boundary"_boundary.html command.  I.e. if the xy factor is
+periodic in any dimensions with a non-zero tilt factor, as defined by
+the "boundary"_boundary.html command.  I.e. if the xy tilt factor is
 non-zero, then both the x and y dimensions must be periodic.
 Similarly, x and z must be periodic if xz is non-zero and y and z must
 be periodic if yz is non-zero.
@@ -107,7 +110,7 @@
 For 2d simulations, the {zlo zhi} values should be set to bound the z
 coords for atoms that appear in the file; the default of -0.5 0.5 is
 valid if all z coords are 0.0.  For 2d triclinic simulations, the xz
-and yz skew factors must be 0.0.
+and yz tilt factors must be 0.0.
 
 If the system is non-periodic (in a dimension), then all atoms in the
 data file should have coordinates (in that dimension) between the lo
diff -Naur lammps-30Mar07/doc/region.html lammps-2Apr07/doc/region.html
--- lammps-30Mar07/doc/region.html	2007-03-08 17:00:06.000000000 -0700
+++ lammps-2Apr07/doc/region.html	2007-04-02 08:26:01.169161000 -0600
@@ -29,9 +29,9 @@
     lo,hi = bounds of cylinder in dim (distance units)
   <I>prism</I> args = xlo xhi ylo yhi zlo zhi xy xz yz
       xlo,xhi,ylo,yhi,zlo,zhi = bounds of untilted prism (distance units)
-      xy = distance to skew y in x direction (distance units)
-      xz = distance to skew z in x direction (distance units)
-      yz = distance to skew z in y direction (distance units)
+      xy = distance to tilt y in x direction (distance units)
+      xz = distance to tilt z in x direction (distance units)
+      yz = distance to tilt z in y direction (distance units)
   <I>sphere</I> args = x y z radius
       x,y,z = center of sphere (distance units)
       radius = radius of sphere (distance units)
@@ -91,14 +91,14 @@
 (non-orthogonal) simulation domain.  Think of the parallelepided as
 initially an axis-aligned orthogonal box with the same xyz lo/hi
 parameters as region style <I>block</I> would define.  Then, while holding
-the (xlo,ylo,zlo) corner point fixed, the box is "skewed" in 3
-directions.  First, for the lower xy face of the box, the <I>xy</I> factor
-is how far the upper y edge is shifted in the x direction.  The lower
-xy face is now a parallelogram.  A plus or minus value for <I>xy</I> can be
-specified; 0.0 means no skew.  Then, the upper xy face of the box is
-translated in the x and y directions by <I>xz</I> and <I>yz</I>.  This results
-in a parallelepiped whose "origin" is at (xlo,ylo,zlo) with 3 edge
-vectors starting from its origin given by a = (xhi-xlo,0,0); b =
+the (xlo,ylo,zlo) corner point fixed, the box is "skewed" or "tilted"
+in 3 directions.  First, for the lower xy face of the box, the <I>xy</I>
+factor is how far the upper y edge is shifted in the x direction.  The
+lower xy face is now a parallelogram.  A plus or minus value for <I>xy</I>
+can be specified; 0.0 means no tilt.  Then, the upper xy face of the
+box is translated in the x and y directions by <I>xz</I> and <I>yz</I>.  This
+results in a parallelepiped whose "origin" is at (xlo,ylo,zlo) with 3
+edge vectors starting from its origin given by a = (xhi-xlo,0,0); b =
 (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
 </P>
 <P>The <I>union</I> style creates a region consisting of the volume of all the
diff -Naur lammps-30Mar07/doc/region.txt lammps-2Apr07/doc/region.txt
--- lammps-30Mar07/doc/region.txt	2007-03-08 17:00:06.000000000 -0700
+++ lammps-2Apr07/doc/region.txt	2007-04-02 08:26:01.169161000 -0600
@@ -24,9 +24,9 @@
     lo,hi = bounds of cylinder in dim (distance units)
   {prism} args = xlo xhi ylo yhi zlo zhi xy xz yz
       xlo,xhi,ylo,yhi,zlo,zhi = bounds of untilted prism (distance units)
-      xy = distance to skew y in x direction (distance units)
-      xz = distance to skew z in x direction (distance units)
-      yz = distance to skew z in y direction (distance units)
+      xy = distance to tilt y in x direction (distance units)
+      xz = distance to tilt z in x direction (distance units)
+      yz = distance to tilt z in y direction (distance units)
   {sphere} args = x y z radius
       x,y,z = center of sphere (distance units)
       radius = radius of sphere (distance units)
@@ -82,14 +82,14 @@
 (non-orthogonal) simulation domain.  Think of the parallelepided as
 initially an axis-aligned orthogonal box with the same xyz lo/hi
 parameters as region style {block} would define.  Then, while holding
-the (xlo,ylo,zlo) corner point fixed, the box is "skewed" in 3
-directions.  First, for the lower xy face of the box, the {xy} factor
-is how far the upper y edge is shifted in the x direction.  The lower
-xy face is now a parallelogram.  A plus or minus value for {xy} can be
-specified; 0.0 means no skew.  Then, the upper xy face of the box is
-translated in the x and y directions by {xz} and {yz}.  This results
-in a parallelepiped whose "origin" is at (xlo,ylo,zlo) with 3 edge
-vectors starting from its origin given by a = (xhi-xlo,0,0); b =
+the (xlo,ylo,zlo) corner point fixed, the box is "skewed" or "tilted"
+in 3 directions.  First, for the lower xy face of the box, the {xy}
+factor is how far the upper y edge is shifted in the x direction.  The
+lower xy face is now a parallelogram.  A plus or minus value for {xy}
+can be specified; 0.0 means no tilt.  Then, the upper xy face of the
+box is translated in the x and y directions by {xz} and {yz}.  This
+results in a parallelepiped whose "origin" is at (xlo,ylo,zlo) with 3
+edge vectors starting from its origin given by a = (xhi-xlo,0,0); b =
 (xy,yhi-ylo,0); c = (xz,yz,zhi-zlo).
 
 The {union} style creates a region consisting of the volume of all the
diff -Naur lammps-30Mar07/doc/run.html lammps-2Apr07/doc/run.html
--- lammps-30Mar07/doc/run.html	2007-03-27 09:08:10.000000000 -0600
+++ lammps-2Apr07/doc/run.html	2007-04-02 08:26:01.169161000 -0600
@@ -70,9 +70,10 @@
 of runs and not just a single run.  Fixes in this category include
 <A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_npt.html">fix npt</A>, <A HREF = "fix_langevin.html">fix
 langevin</A>, <A HREF = "fix_temp_rescale.html">fix temp/rescale</A>,
-<A HREF = "fix_volume_rescale.html">fix volume/rescale</A>, and <A HREF = "fix_indent.html">fix
-indent</A>.  The <A HREF = "pair_style.html">pair_style soft</A>
-potential also ramps its coefficients in a similar way.
+<A HREF = "fix_volume_rescale.html">fix volume/rescale</A>, <A HREF = "fix_deform.html">fix
+deform</A>, and <A HREF = "fix_indent.html">fix indent</A>.  The
+<A HREF = "pair_style.html">pair_style soft</A> potential also ramps its
+coefficients in a similar way.
 </P>
 <P>For example, consider this fix followed by 10 run commands:
 </P>
diff -Naur lammps-30Mar07/doc/run.txt lammps-2Apr07/doc/run.txt
--- lammps-30Mar07/doc/run.txt	2007-03-27 09:08:10.000000000 -0600
+++ lammps-2Apr07/doc/run.txt	2007-04-02 08:26:01.169161000 -0600
@@ -63,9 +63,10 @@
 of runs and not just a single run.  Fixes in this category include
 "fix nvt"_fix_nvt.html, "fix npt"_fix_npt.html, "fix
 langevin"_fix_langevin.html, "fix temp/rescale"_fix_temp_rescale.html,
-"fix volume/rescale"_fix_volume_rescale.html, and "fix
-indent"_fix_indent.html.  The "pair_style soft"_pair_style.html
-potential also ramps its coefficients in a similar way.
+"fix volume/rescale"_fix_volume_rescale.html, "fix
+deform"_fix_deform.html, and "fix indent"_fix_indent.html.  The
+"pair_style soft"_pair_style.html potential also ramps its
+coefficients in a similar way.
 
 For example, consider this fix followed by 10 run commands:
 
diff -Naur lammps-30Mar07/src/KSPACE/pair_buck_coul_long.cpp lammps-2Apr07/src/KSPACE/pair_buck_coul_long.cpp
--- lammps-30Mar07/src/KSPACE/pair_buck_coul_long.cpp	2007-01-29 17:22:05.000000000 -0700
+++ lammps-2Apr07/src/KSPACE/pair_buck_coul_long.cpp	2007-04-02 09:45:58.027443000 -0600
@@ -250,6 +250,7 @@
 
   double a_one = atof(arg[2]);
   double rho_one = atof(arg[3]);
+  if (rho_one <= 0) error->all("Incorrect args for pair coefficients");
   double c_one = atof(arg[4]);
 
   double cut_lj_one = cut_lj_global;
diff -Naur lammps-30Mar07/src/pair_buck.cpp lammps-2Apr07/src/pair_buck.cpp
--- lammps-30Mar07/src/pair_buck.cpp	2007-01-29 17:22:05.000000000 -0700
+++ lammps-2Apr07/src/pair_buck.cpp	2007-04-02 09:45:18.250717000 -0600
@@ -207,6 +207,7 @@
 
   double a_one = atof(arg[2]);
   double rho_one = atof(arg[3]);
+  if (rho_one <= 0) error->all("Incorrect args for pair coefficients");
   double c_one = atof(arg[4]);
 
   double cut_one = cut_global;
diff -Naur lammps-30Mar07/src/pair_buck_coul_cut.cpp lammps-2Apr07/src/pair_buck_coul_cut.cpp
--- lammps-30Mar07/src/pair_buck_coul_cut.cpp	2007-01-29 17:22:05.000000000 -0700
+++ lammps-2Apr07/src/pair_buck_coul_cut.cpp	2007-04-02 09:45:29.783807000 -0600
@@ -242,6 +242,7 @@
 
   double a_one = atof(arg[2]);
   double rho_one = atof(arg[3]);
+  if (rho_one <= 0) error->all("Incorrect args for pair coefficients");
   double c_one = atof(arg[4]);
 
   double cut_lj_one = cut_lj_global;
diff -Naur lammps-30Mar07/tools/ch2lmp/example/1ac7_trj.psf lammps-2Apr07/tools/ch2lmp/example/1ac7_trj.psf
--- lammps-30Mar07/tools/ch2lmp/example/1ac7_trj.psf	2006-09-27 13:51:49.000000000 -0600
+++ lammps-2Apr07/tools/ch2lmp/example/1ac7_trj.psf	2007-04-02 09:58:43.058189700 -0600
@@ -1,3630 +1 @@
-PSF
-
-       2 !NTITLE
- REMARKS CONTROL PSF 1ac7_ctrl.psf
- REMARKS CREATED BY charmm2lammps v1.6.2 ON Fri Jun  3 14:07:00 MDT 2005
-
-    1968 !NATOM
-       1    A 1    ADE  P    82     1.50000000e+00 30.9740           0
-       2    A 1    ADE  O1P  74    -7.80000000e-01 15.9994           0
-       3    A 1    ADE  O2P  74    -7.80000000e-01 15.9994           0
-       4    A 1    ADE  O5'  73    -5.70000000e-01 15.9994           0
-       5    A 1    ADE  C5'  38    -8.00000000e-02 12.0110           0
-       6    A 1    ADE  H5'  12     9.00000000e-02  1.0080           0
-       7    A 1    ADE  H5'' 12     9.00000000e-02  1.0080           0
-       8    A 1    ADE  C4'  33     1.60000000e-01 12.0110           0
-       9    A 1    ADE  H4'  11     9.00000000e-02  1.0080           0
-      10    A 1    ADE  O4'  78    -5.00000000e-01 15.9994           0
-      11    A 1    ADE  C1'  34     1.60000000e-01 12.0110           0
-      12    A 1    ADE  H1'  11     9.00000000e-02  1.0080           0
-      13    A 1    ADE  N9   52    -5.00000000e-02 14.0070           0
-      14    A 1    ADE  C5   31     2.80000000e-01 12.0110           0
-      15    A 1    ADE  N7   61    -7.10000000e-01 14.0070           0
-      16    A 1    ADE  C8   30     3.40000000e-01 12.0110           0
-      17    A 1    ADE  H8   4      1.20000000e-01  1.0080           0
-      18    A 1    ADE  N1   58    -7.40000000e-01 14.0070           0
-      19    A 1    ADE  C2   30     5.00000000e-01 12.0110           0
-      20    A 1    ADE  H2   4      1.30000000e-01  1.0080           0
-      21    A 1    ADE  N3   58    -7.50000000e-01 14.0070           0
-      22    A 1    ADE  C4   31     4.30000000e-01 12.0110           0
-      23    A 1    ADE  C6   23     4.60000000e-01 12.0110           0
-      24    A 1    ADE  N6   50    -7.70000000e-01 14.0070           0
-      25    A 1    ADE  H61  2      3.80000000e-01  1.0080           0
-      26    A 1    ADE  H62  2      3.80000000e-01  1.0080           0
-      27    A 1    ADE  C2'  34     1.40000000e-01 12.0110           0
-      28    A 1    ADE  H2'' 11     9.00000000e-02  1.0080           0
-      29    A 1    ADE  O2'  76    -6.60000000e-01 15.9994           0
-      30    A 1    ADE  H2'  9      4.30000000e-01  1.0080           0
-      31    A 1    ADE  C3'  33     1.00000000e-02 12.0110           0
-      32    A 1    ADE  H3'  11     9.00000000e-02  1.0080           0
-      33    A 1    ADE  O3'  73    -5.70000000e-01 15.9994           0
-      34    A 2    THY  P    82     1.50000000e+00 30.9740           0
-      35    A 2    THY  O1P  74    -7.80000000e-01 15.9994           0
-      36    A 2    THY  O2P  74    -7.80000000e-01 15.9994           0
-      37    A 2    THY  O5'  73    -5.70000000e-01 15.9994           0
-      38    A 2    THY  C5'  38    -8.00000000e-02 12.0110           0
-      39    A 2    THY  H5'  12     9.00000000e-02  1.0080           0
-      40    A 2    THY  H5'' 12     9.00000000e-02  1.0080           0
-      41    A 2    THY  C4'  33     1.60000000e-01 12.0110           0
-      42    A 2    THY  H4'  11     9.00000000e-02  1.0080           0
-      43    A 2    THY  O4'  78    -5.00000000e-01 15.9994           0
-      44    A 2    THY  C1'  34     1.60000000e-01 12.0110           0
-      45    A 2    THY  H1'  11     9.00000000e-02  1.0080           0
-      46    A 2    THY  N1   53    -3.40000000e-01 14.0070           0
-      47    A 2    THY  C6   24     1.70000000e-01 12.0110           0
-      48    A 2    THY  H6   4      1.70000000e-01  1.0080           0
-      49    A 2    THY  C2   22     5.10000000e-01 12.0110           0
-      50    A 2    THY  O2   71    -4.10000000e-01 15.9994           0
-      51    A 2    THY  N3   55    -4.60000000e-01 14.0070           0
-      52    A 2    THY  H3   3      3.60000000e-01  1.0080           0
-      53    A 2    THY  C4   20     5.00000000e-01 12.0110           0
-      54    A 2    THY  O4   71    -4.50000000e-01 15.9994           0
-      55    A 2    THY  C5   29    -1.50000000e-01 12.0110           0
-      56    A 2    THY  C5M  39    -1.10000000e-01 12.0110           0
-      57    A 2    THY  H51  13     7.00000000e-02  1.0080           0
-      58    A 2    THY  H52  13     7.00000000e-02  1.0080           0
-      59    A 2    THY  H53  13     7.00000000e-02  1.0080           0
-      60    A 2    THY  C2'  34     1.40000000e-01 12.0110           0
-      61    A 2    THY  H2'' 11     9.00000000e-02  1.0080           0
-      62    A 2    THY  O2'  76    -6.60000000e-01 15.9994           0
-      63    A 2    THY  H2'  9      4.30000000e-01  1.0080           0
-      64    A 2    THY  C3'  33     1.00000000e-02 12.0110           0
-      65    A 2    THY  H3'  11     9.00000000e-02  1.0080           0
-      66    A 2    THY  O3'  73    -5.70000000e-01 15.9994           0
-      67    A 3    CYT  P    82     1.50000000e+00 30.9740           0
-      68    A 3    CYT  O1P  74    -7.80000000e-01 15.9994           0
-      69    A 3    CYT  O2P  74    -7.80000000e-01 15.9994           0
-      70    A 3    CYT  O5'  73    -5.70000000e-01 15.9994           0
-      71    A 3    CYT  C5'  38    -8.00000000e-02 12.0110           0
-      72    A 3    CYT  H5'  12     9.00000000e-02  1.0080           0
-      73    A 3    CYT  H5'' 12     9.00000000e-02  1.0080           0
-      74    A 3    CYT  C4'  33     1.60000000e-01 12.0110           0
-      75    A 3    CYT  H4'  11     9.00000000e-02  1.0080           0
-      76    A 3    CYT  O4'  78    -5.00000000e-01 15.9994           0
-      77    A 3    CYT  C1'  34     1.60000000e-01 12.0110           0
-      78    A 3    CYT  H1'  11     9.00000000e-02  1.0080           0
-      79    A 3    CYT  N1   52    -1.30000000e-01 14.0070           0
-      80    A 3    CYT  C6   24     5.00000000e-02 12.0110           0
-      81    A 3    CYT  H6   4      1.70000000e-01  1.0080           0
-      82    A 3    CYT  C5   24    -1.30000000e-01 12.0110           0
-      83    A 3    CYT  H5   4      7.00000000e-02  1.0080           0
-      84    A 3    CYT  C2   20     5.20000000e-01 12.0110           0
-      85    A 3    CYT  O2   72    -4.90000000e-01 15.9994           0
-      86    A 3    CYT  N3   57    -6.60000000e-01 14.0070           0
-      87    A 3    CYT  C4   23     6.50000000e-01 12.0110           0
-      88    A 3    CYT  N4   50    -7.50000000e-01 14.0070           0
-      89    A 3    CYT  H41  2      3.70000000e-01  1.0080           0
-      90    A 3    CYT  H42  2      3.30000000e-01  1.0080           0
-      91    A 3    CYT  C2'  34     1.40000000e-01 12.0110           0
-      92    A 3    CYT  H2'' 11     9.00000000e-02  1.0080           0
-      93    A 3    CYT  O2'  76    -6.60000000e-01 15.9994           0
-      94    A 3    CYT  H2'  9      4.30000000e-01  1.0080           0
-      95    A 3    CYT  C3'  33     1.00000000e-02 12.0110           0
-      96    A 3    CYT  H3'  11     9.00000000e-02  1.0080           0
-      97    A 3    CYT  O3'  73    -5.70000000e-01 15.9994           0
-      98    A 4    CYT  P    82     1.50000000e+00 30.9740           0
-      99    A 4    CYT  O1P  74    -7.80000000e-01 15.9994           0
-     100    A 4    CYT  O2P  74    -7.80000000e-01 15.9994           0
-     101    A 4    CYT  O5'  73    -5.70000000e-01 15.9994           0
-     102    A 4    CYT  C5'  38    -8.00000000e-02 12.0110           0
-     103    A 4    CYT  H5'  12     9.00000000e-02  1.0080           0
-     104    A 4    CYT  H5'' 12     9.00000000e-02  1.0080           0
-     105    A 4    CYT  C4'  33     1.60000000e-01 12.0110           0
-     106    A 4    CYT  H4'  11     9.00000000e-02  1.0080           0
-     107    A 4    CYT  O4'  78    -5.00000000e-01 15.9994           0
-     108    A 4    CYT  C1'  34     1.60000000e-01 12.0110           0
-     109    A 4    CYT  H1'  11     9.00000000e-02  1.0080           0
-     110    A 4    CYT  N1   52    -1.30000000e-01 14.0070           0
-     111    A 4    CYT  C6   24     5.00000000e-02 12.0110           0
-     112    A 4    CYT  H6   4      1.70000000e-01  1.0080           0
-     113    A 4    CYT  C5   24    -1.30000000e-01 12.0110           0
-     114    A 4    CYT  H5   4      7.00000000e-02  1.0080           0
-     115    A 4    CYT  C2   20     5.20000000e-01 12.0110           0
-     116    A 4    CYT  O2   72    -4.90000000e-01 15.9994           0
-     117    A 4    CYT  N3   57    -6.60000000e-01 14.0070           0
-     118    A 4    CYT  C4   23     6.50000000e-01 12.0110           0
-     119    A 4    CYT  N4   50    -7.50000000e-01 14.0070           0
-     120    A 4    CYT  H41  2      3.70000000e-01  1.0080           0
-     121    A 4    CYT  H42  2      3.30000000e-01  1.0080           0
-     122    A 4    CYT  C2'  34     1.40000000e-01 12.0110           0
-     123    A 4    CYT  H2'' 11     9.00000000e-02  1.0080           0
-     124    A 4    CYT  O2'  76    -6.60000000e-01 15.9994           0
-     125    A 4    CYT  H2'  9      4.30000000e-01  1.0080           0
-     126    A 4    CYT  C3'  33     1.00000000e-02 12.0110           0
-     127    A 4    CYT  H3'  11     9.00000000e-02  1.0080           0
-     128    A 4    CYT  O3'  73    -5.70000000e-01 15.9994           0
-     129    A 5    THY  P    82     1.50000000e+00 30.9740           0
-     130    A 5    THY  O1P  74    -7.80000000e-01 15.9994           0
-     131    A 5    THY  O2P  74    -7.80000000e-01 15.9994           0
-     132    A 5    THY  O5'  73    -5.70000000e-01 15.9994           0
-     133    A 5    THY  C5'  38    -8.00000000e-02 12.0110           0
-     134    A 5    THY  H5'  12     9.00000000e-02  1.0080           0
-     135    A 5    THY  H5'' 12     9.00000000e-02  1.0080           0
-     136    A 5    THY  C4'  33     1.60000000e-01 12.0110           0
-     137    A 5    THY  H4'  11     9.00000000e-02  1.0080           0
-     138    A 5    THY  O4'  78    -5.00000000e-01 15.9994           0
-     139    A 5    THY  C1'  34     1.60000000e-01 12.0110           0
-     140    A 5    THY  H1'  11     9.00000000e-02  1.0080           0
-     141    A 5    THY  N1   53    -3.40000000e-01 14.0070           0
-     142    A 5    THY  C6   24     1.70000000e-01 12.0110           0
-     143    A 5    THY  H6   4      1.70000000e-01  1.0080           0
-     144    A 5    THY  C2   22     5.10000000e-01 12.0110           0
-     145    A 5    THY  O2   71    -4.10000000e-01 15.9994           0
-     146    A 5    THY  N3   55    -4.60000000e-01 14.0070           0
-     147    A 5    THY  H3   3      3.60000000e-01  1.0080           0
-     148    A 5    THY  C4   20     5.00000000e-01 12.0110           0
-     149    A 5    THY  O4   71    -4.50000000e-01 15.9994           0
-     150    A 5    THY  C5   29    -1.50000000e-01 12.0110           0
-     151    A 5    THY  C5M  39    -1.10000000e-01 12.0110           0
-     152    A 5    THY  H51  13     7.00000000e-02  1.0080           0
-     153    A 5    THY  H52  13     7.00000000e-02  1.0080           0
-     154    A 5    THY  H53  13     7.00000000e-02  1.0080           0
-     155    A 5    THY  C2'  34     1.40000000e-01 12.0110           0
-     156    A 5    THY  H2'' 11     9.00000000e-02  1.0080           0
-     157    A 5    THY  O2'  76    -6.60000000e-01 15.9994           0
-     158    A 5    THY  H2'  9      4.30000000e-01  1.0080           0
-     159    A 5    THY  C3'  33     1.00000000e-02 12.0110           0
-     160    A 5    THY  H3'  11     9.00000000e-02  1.0080           0
-     161    A 5    THY  O3'  73    -5.70000000e-01 15.9994           0
-     162    A 6    ADE  P    82     1.50000000e+00 30.9740           0
-     163    A 6    ADE  O1P  74    -7.80000000e-01 15.9994           0
-     164    A 6    ADE  O2P  74    -7.80000000e-01 15.9994           0
-     165    A 6    ADE  O5'  73    -5.70000000e-01 15.9994           0
-     166    A 6    ADE  C5'  38    -8.00000000e-02 12.0110           0
-     167    A 6    ADE  H5'  12     9.00000000e-02  1.0080           0
-     168    A 6    ADE  H5'' 12     9.00000000e-02  1.0080           0
-     169    A 6    ADE  C4'  33     1.60000000e-01 12.0110           0
-     170    A 6    ADE  H4'  11     9.00000000e-02  1.0080           0
-     171    A 6    ADE  O4'  78    -5.00000000e-01 15.9994           0
-     172    A 6    ADE  C1'  34     1.60000000e-01 12.0110           0
-     173    A 6    ADE  H1'  11     9.00000000e-02  1.0080           0
-     174    A 6    ADE  N9   52    -5.00000000e-02 14.0070           0
-     175    A 6    ADE  C5   31     2.80000000e-01 12.0110           0
-     176    A 6    ADE  N7   61    -7.10000000e-01 14.0070           0
-     177    A 6    ADE  C8   30     3.40000000e-01 12.0110           0
-     178    A 6    ADE  H8   4      1.20000000e-01  1.0080           0
-     179    A 6    ADE  N1   58    -7.40000000e-01 14.0070           0
-     180    A 6    ADE  C2   30     5.00000000e-01 12.0110           0
-     181    A 6    ADE  H2   4      1.30000000e-01  1.0080           0
-     182    A 6    ADE  N3   58    -7.50000000e-01 14.0070           0
-     183    A 6    ADE  C4   31     4.30000000e-01 12.0110           0
-     184    A 6    ADE  C6   23     4.60000000e-01 12.0110           0
-     185    A 6    ADE  N6   50    -7.70000000e-01 14.0070           0
-     186    A 6    ADE  H61  2      3.80000000e-01  1.0080           0
-     187    A 6    ADE  H62  2      3.80000000e-01  1.0080           0
-     188    A 6    ADE  C2'  34     1.40000000e-01 12.0110           0
-     189    A 6    ADE  H2'' 11     9.00000000e-02  1.0080           0
-     190    A 6    ADE  O2'  76    -6.60000000e-01 15.9994           0
-     191    A 6    ADE  H2'  9      4.30000000e-01  1.0080           0
-     192    A 6    ADE  C3'  33     1.00000000e-02 12.0110           0
-     193    A 6    ADE  H3'  11     9.00000000e-02  1.0080           0
-     194    A 6    ADE  O3'  73    -5.70000000e-01 15.9994           0
-     195    A 7    GUA  P    82     1.50000000e+00 30.9740           0
-     196    A 7    GUA  O1P  74    -7.80000000e-01 15.9994           0
-     197    A 7    GUA  O2P  74    -7.80000000e-01 15.9994           0
-     198    A 7    GUA  O5'  73    -5.70000000e-01 15.9994           0
-     199    A 7    GUA  C5'  38    -8.00000000e-02 12.0110           0
-     200    A 7    GUA  H5'  12     9.00000000e-02  1.0080           0
-     201    A 7    GUA  H5'' 12     9.00000000e-02  1.0080           0
-     202    A 7    GUA  C4'  33     1.60000000e-01 12.0110           0
-     203    A 7    GUA  H4'  11     9.00000000e-02  1.0080           0
-     204    A 7    GUA  O4'  78    -5.00000000e-01 15.9994           0
-     205    A 7    GUA  C1'  34     1.60000000e-01 12.0110           0
-     206    A 7    GUA  H1'  11     9.00000000e-02  1.0080           0
-     207    A 7    GUA  N9   53    -2.00000000e-02 14.0070           0
-     208    A 7    GUA  C4   31     2.60000000e-01 12.0110           0
-     209    A 7    GUA  N2   50    -6.80000000e-01 14.0070           0
-     210    A 7    GUA  H21  2      3.20000000e-01  1.0080           0
-     211    A 7    GUA  H22  2      3.50000000e-01  1.0080           0
-     212    A 7    GUA  N3   60    -7.40000000e-01 14.0070           0
-     213    A 7    GUA  C2   23     7.50000000e-01 12.0110           0
-     214    A 7    GUA  N1   56    -3.40000000e-01 14.0070           0
-     215    A 7    GUA  H1   3      2.60000000e-01  1.0080           0
-     216    A 7    GUA  C6   20     5.40000000e-01 12.0110           0
-     217    A 7    GUA  O6   71    -5.10000000e-01 15.9994           0
-     218    A 7    GUA  C5   32     0.00000000e+00 12.0110           0
-     219    A 7    GUA  N7   61    -6.00000000e-01 14.0070           0
-     220    A 7    GUA  C8   30     2.50000000e-01 12.0110           0
-     221    A 7    GUA  H8   4      1.60000000e-01  1.0080           0
-     222    A 7    GUA  C2'  34     1.40000000e-01 12.0110           0
-     223    A 7    GUA  H2'' 11     9.00000000e-02  1.0080           0
-     224    A 7    GUA  O2'  76    -6.60000000e-01 15.9994           0
-     225    A 7    GUA  H2'  9      4.30000000e-01  1.0080           0
-     226    A 7    GUA  C3'  33     1.00000000e-02 12.0110           0
-     227    A 7    GUA  H3'  11     9.00000000e-02  1.0080           0
-     228    A 7    GUA  O3'  73    -5.70000000e-01 15.9994           0
-     229    A 8    THY  P    82     1.50000000e+00 30.9740           0
-     230    A 8    THY  O1P  74    -7.80000000e-01 15.9994           0
-     231    A 8    THY  O2P  74    -7.80000000e-01 15.9994           0
-     232    A 8    THY  O5'  73    -5.70000000e-01 15.9994           0
-     233    A 8    THY  C5'  38    -8.00000000e-02 12.0110           0
-     234    A 8    THY  H5'  12     9.00000000e-02  1.0080           0
-     235    A 8    THY  H5'' 12     9.00000000e-02  1.0080           0
-     236    A 8    THY  C4'  33     1.60000000e-01 12.0110           0
-     237    A 8    THY  H4'  11     9.00000000e-02  1.0080           0
-     238    A 8    THY  O4'  78    -5.00000000e-01 15.9994           0
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-     279    A 9    THY  N3   55    -4.60000000e-01 14.0070           0
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-     293    A 9    THY  H3'  11     9.00000000e-02  1.0080           0
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-     318    A 10   ADE  N6   50    -7.70000000e-01 14.0070           0
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-     324    A 10   ADE  H2'  9      4.30000000e-01  1.0080           0
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-     333    A 11   THY  H5'  12     9.00000000e-02  1.0080           0
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-     345    A 11   THY  N3   55    -4.60000000e-01 14.0070           0
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-     357    A 11   THY  H2'  9      4.30000000e-01  1.0080           0
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-     359    A 11   THY  H3'  11     9.00000000e-02  1.0080           0
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-     460    A 14   GUA  H3'  11     9.00000000e-02  1.0080           0
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-     470    A 15   ADE  H4'  11     9.00000000e-02  1.0080           0
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-     491    A 15   ADE  H2'  9      4.30000000e-01  1.0080           0
-     492    A 15   ADE  C3'  33     1.00000000e-02 12.0110           0
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-     500    A 16   THY  H5'  12     9.00000000e-02  1.0080           0
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-     508    A 16   THY  C6   24     1.70000000e-01 12.0110           0
-     509    A 16   THY  H6   4      1.70000000e-01  1.0080           0
-     510    A 16   THY  C2   22     5.10000000e-01 12.0110           0
-     511    A 16   THY  O2   71    -4.10000000e-01 15.9994           0
-     512    A 16   THY  N3   55    -4.60000000e-01 14.0070           0
-     513    A 16   THY  H3   3      3.60000000e-01  1.0080           0
-     514    A 16   THY  C4   20     5.00000000e-01 12.0110           0
-     515    A 16   THY  O4   71    -4.50000000e-01 15.9994           0
-     516    A 16   THY  C5   29    -1.50000000e-01 12.0110           0
-     517    A 16   THY  C5M  39    -1.10000000e-01 12.0110           0
-     518    A 16   THY  H51  13     7.00000000e-02  1.0080           0
-     519    A 16   THY  H52  13     7.00000000e-02  1.0080           0
-     520    A 16   THY  H53  13     7.00000000e-02  1.0080           0
-     521    A 16   THY  C2'  34     1.40000000e-01 12.0110           0
-     522    A 16   THY  H2'' 11     9.00000000e-02  1.0080           0
-     523    A 16   THY  O2'  76    -6.60000000e-01 15.9994           0
-     524    A 16   THY  H2'  9      4.30000000e-01  1.0080           0
-     525    A 16   THY  C3'  33     1.00000000e-02 12.0110           0
-     526    A 16   THY  H3'  11     9.00000000e-02  1.0080           0
-     527    A 16   THY  O3'  73    -5.70000000e-01 15.9994           0
-     528 WATR 1    HOH  OT     70  -8.34000000e-01 15.9994           0
-     529 WATR 1    HOH  HT      1   4.17000000e-01 1.00800           0
-     530 WATR 1    HOH  HT      1   4.17000000e-01 1.00800           0
-     531 WATR 2    HOH  OT     70  -8.34000000e-01 15.9994           0
-     532 WATR 2    HOH  HT      1   4.17000000e-01 1.00800           0
-     533 WATR 2    HOH  HT      1   4.17000000e-01 1.00800           0
-     534 SALT 1    ION  SOD    90   1.00000000e+00 22.9897           0
-     535 WATR 3    HOH  OT     70  -8.34000000e-01 15.9994           0
-     536 WATR 3    HOH  HT      1   4.17000000e-01 1.00800           0
-     537 WATR 3    HOH  HT      1   4.17000000e-01 1.00800           0
-     538 WATR 4    HOH  OT     70  -8.34000000e-01 15.9994           0
-     539 WATR 4    HOH  HT      1   4.17000000e-01 1.00800           0
-     540 WATR 4    HOH  HT      1   4.17000000e-01 1.00800           0
-     541 SALT 2    ION  SOD    90   1.00000000e+00 22.9897           0
-     542 WATR 5    HOH  OT     70  -8.34000000e-01 15.9994           0
-     543 WATR 5    HOH  HT      1   4.17000000e-01 1.00800           0
-     544 WATR 5    HOH  HT      1   4.17000000e-01 1.00800           0
-     545 WATR 6    HOH  OT     70  -8.34000000e-01 15.9994           0
-     546 WATR 6    HOH  HT      1   4.17000000e-01 1.00800           0
-     547 WATR 6    HOH  HT      1   4.17000000e-01 1.00800           0
-     548 WATR 7    HOH  OT     70  -8.34000000e-01 15.9994           0
-     549 WATR 7    HOH  HT      1   4.17000000e-01 1.00800           0
-     550 WATR 7    HOH  HT      1   4.17000000e-01 1.00800           0
-     551 WATR 8    HOH  OT     70  -8.34000000e-01 15.9994           0
-     552 WATR 8    HOH  HT      1   4.17000000e-01 1.00800           0
-     553 WATR 8    HOH  HT      1   4.17000000e-01 1.00800           0
-     554 WATR 9    HOH  OT     70  -8.34000000e-01 15.9994           0
-     555 WATR 9    HOH  HT      1   4.17000000e-01 1.00800           0
-     556 WATR 9    HOH  HT      1   4.17000000e-01 1.00800           0
-     557 WATR 10   HOH  OT     70  -8.34000000e-01 15.9994           0
-     558 WATR 10   HOH  HT      1   4.17000000e-01 1.00800           0
-     559 WATR 10   HOH  HT      1   4.17000000e-01 1.00800           0
-     560 WATR 11   HOH  OT     70  -8.34000000e-01 15.9994           0
-     561 WATR 11   HOH  HT      1   4.17000000e-01 1.00800           0
-     562 WATR 11   HOH  HT      1   4.17000000e-01 1.00800           0
-     563 WATR 12   HOH  OT     70  -8.34000000e-01 15.9994           0
-     564 WATR 12   HOH  HT      1   4.17000000e-01 1.00800           0
-     565 WATR 12   HOH  HT      1   4.17000000e-01 1.00800           0
-     566 WATR 13   HOH  OT     70  -8.34000000e-01 15.9994           0
-     567 WATR 13   HOH  HT      1   4.17000000e-01 1.00800           0
-     568 WATR 13   HOH  HT      1   4.17000000e-01 1.00800           0
-     569 WATR 14   HOH  OT     70  -8.34000000e-01 15.9994           0
-     570 WATR 14   HOH  HT      1   4.17000000e-01 1.00800           0
-     571 WATR 14   HOH  HT      1   4.17000000e-01 1.00800           0
-     572 WATR 15   HOH  OT     70  -8.34000000e-01 15.9994           0
-     573 WATR 15   HOH  HT      1   4.17000000e-01 1.00800           0
-     574 WATR 15   HOH  HT      1   4.17000000e-01 1.00800           0
-     575 WATR 16   HOH  OT     70  -8.34000000e-01 15.9994           0
-     576 WATR 16   HOH  HT      1   4.17000000e-01 1.00800           0
-     577 WATR 16   HOH  HT      1   4.17000000e-01 1.00800           0
-     578 WATR 17   HOH  OT     70  -8.34000000e-01 15.9994           0
-     579 WATR 17   HOH  HT      1   4.17000000e-01 1.00800           0
-     580 WATR 17   HOH  HT      1   4.17000000e-01 1.00800           0
-     581 WATR 18   HOH  OT     70  -8.34000000e-01 15.9994           0
-     582 WATR 18   HOH  HT      1   4.17000000e-01 1.00800           0
-     583 WATR 18   HOH  HT      1   4.17000000e-01 1.00800           0
-     584 WATR 19   HOH  OT     70  -8.34000000e-01 15.9994           0
-     585 WATR 19   HOH  HT      1   4.17000000e-01 1.00800           0
-     586 WATR 19   HOH  HT      1   4.17000000e-01 1.00800           0
-     587 WATR 20   HOH  OT     70  -8.34000000e-01 15.9994           0
-     588 WATR 20   HOH  HT      1   4.17000000e-01 1.00800           0
-     589 WATR 20   HOH  HT      1   4.17000000e-01 1.00800           0
-     590 WATR 21   HOH  OT     70  -8.34000000e-01 15.9994           0
-     591 WATR 21   HOH  HT      1   4.17000000e-01 1.00800           0
-     592 WATR 21   HOH  HT      1   4.17000000e-01 1.00800           0
-     593 WATR 22   HOH  OT     70  -8.34000000e-01 15.9994           0
-     594 WATR 22   HOH  HT      1   4.17000000e-01 1.00800           0
-     595 WATR 22   HOH  HT      1   4.17000000e-01 1.00800           0
-     596 WATR 23   HOH  OT     70  -8.34000000e-01 15.9994           0
-     597 WATR 23   HOH  HT      1   4.17000000e-01 1.00800           0
-     598 WATR 23   HOH  HT      1   4.17000000e-01 1.00800           0
-     599 WATR 24   HOH  OT     70  -8.34000000e-01 15.9994           0
-     600 WATR 24   HOH  HT      1   4.17000000e-01 1.00800           0
-     601 WATR 24   HOH  HT      1   4.17000000e-01 1.00800           0
-     602 WATR 25   HOH  OT     70  -8.34000000e-01 15.9994           0
-     603 WATR 25   HOH  HT      1   4.17000000e-01 1.00800           0
-     604 WATR 25   HOH  HT      1   4.17000000e-01 1.00800           0
-     605 WATR 26   HOH  OT     70  -8.34000000e-01 15.9994           0
-     606 WATR 26   HOH  HT      1   4.17000000e-01 1.00800           0
-     607 WATR 26   HOH  HT      1   4.17000000e-01 1.00800           0
-     608 WATR 27   HOH  OT     70  -8.34000000e-01 15.9994           0
-     609 WATR 27   HOH  HT      1   4.17000000e-01 1.00800           0
-     610 WATR 27   HOH  HT      1   4.17000000e-01 1.00800           0
-     611 WATR 28   HOH  OT     70  -8.34000000e-01 15.9994           0
-     612 WATR 28   HOH  HT      1   4.17000000e-01 1.00800           0
-     613 WATR 28   HOH  HT      1   4.17000000e-01 1.00800           0
-     614 WATR 29   HOH  OT     70  -8.34000000e-01 15.9994           0
-     615 WATR 29   HOH  HT      1   4.17000000e-01 1.00800           0
-     616 WATR 29   HOH  HT      1   4.17000000e-01 1.00800           0
-     617 WATR 30   HOH  OT     70  -8.34000000e-01 15.9994           0
-     618 WATR 30   HOH  HT      1   4.17000000e-01 1.00800           0
-     619 WATR 30   HOH  HT      1   4.17000000e-01 1.00800           0
-     620 WATR 31   HOH  OT     70  -8.34000000e-01 15.9994           0
-     621 WATR 31   HOH  HT      1   4.17000000e-01 1.00800           0
-     622 WATR 31   HOH  HT      1   4.17000000e-01 1.00800           0
-     623 WATR 32   HOH  OT     70  -8.34000000e-01 15.9994           0
-     624 WATR 32   HOH  HT      1   4.17000000e-01 1.00800           0
-     625 WATR 32   HOH  HT      1   4.17000000e-01 1.00800           0
-     626 WATR 33   HOH  OT     70  -8.34000000e-01 15.9994           0
-     627 WATR 33   HOH  HT      1   4.17000000e-01 1.00800           0
-     628 WATR 33   HOH  HT      1   4.17000000e-01 1.00800           0
-     629 WATR 34   HOH  OT     70  -8.34000000e-01 15.9994           0
-     630 WATR 34   HOH  HT      1   4.17000000e-01 1.00800           0
-     631 WATR 34   HOH  HT      1   4.17000000e-01 1.00800           0
-     632 WATR 35   HOH  OT     70  -8.34000000e-01 15.9994           0
-     633 WATR 35   HOH  HT      1   4.17000000e-01 1.00800           0
-     634 WATR 35   HOH  HT      1   4.17000000e-01 1.00800           0
-     635 WATR 36   HOH  OT     70  -8.34000000e-01 15.9994           0
-     636 WATR 36   HOH  HT      1   4.17000000e-01 1.00800           0
-     637 WATR 36   HOH  HT      1   4.17000000e-01 1.00800           0
-     638 WATR 37   HOH  OT     70  -8.34000000e-01 15.9994           0
-     639 WATR 37   HOH  HT      1   4.17000000e-01 1.00800           0
-     640 WATR 37   HOH  HT      1   4.17000000e-01 1.00800           0
-     641 WATR 38   HOH  OT     70  -8.34000000e-01 15.9994           0
-     642 WATR 38   HOH  HT      1   4.17000000e-01 1.00800           0
-     643 WATR 38   HOH  HT      1   4.17000000e-01 1.00800           0
-     644 WATR 39   HOH  OT     70  -8.34000000e-01 15.9994           0
-     645 WATR 39   HOH  HT      1   4.17000000e-01 1.00800           0
-     646 WATR 39   HOH  HT      1   4.17000000e-01 1.00800           0
-     647 WATR 40   HOH  OT     70  -8.34000000e-01 15.9994           0
-     648 WATR 40   HOH  HT      1   4.17000000e-01 1.00800           0
-     649 WATR 40   HOH  HT      1   4.17000000e-01 1.00800           0
-     650 WATR 41   HOH  OT     70  -8.34000000e-01 15.9994           0
-     651 WATR 41   HOH  HT      1   4.17000000e-01 1.00800           0
-     652 WATR 41   HOH  HT      1   4.17000000e-01 1.00800           0
-     653 WATR 42   HOH  OT     70  -8.34000000e-01 15.9994           0
-     654 WATR 42   HOH  HT      1   4.17000000e-01 1.00800           0
-     655 WATR 42   HOH  HT      1   4.17000000e-01 1.00800           0
-     656 WATR 43   HOH  OT     70  -8.34000000e-01 15.9994           0
-     657 WATR 43   HOH  HT      1   4.17000000e-01 1.00800           0
-     658 WATR 43   HOH  HT      1   4.17000000e-01 1.00800           0
-     659 WATR 44   HOH  OT     70  -8.34000000e-01 15.9994           0
-     660 WATR 44   HOH  HT      1   4.17000000e-01 1.00800           0
-     661 WATR 44   HOH  HT      1   4.17000000e-01 1.00800           0
-     662 WATR 45   HOH  OT     70  -8.34000000e-01 15.9994           0
-     663 WATR 45   HOH  HT      1   4.17000000e-01 1.00800           0
-     664 WATR 45   HOH  HT      1   4.17000000e-01 1.00800           0
-     665 WATR 46   HOH  OT     70  -8.34000000e-01 15.9994           0
-     666 WATR 46   HOH  HT      1   4.17000000e-01 1.00800           0
-     667 WATR 46   HOH  HT      1   4.17000000e-01 1.00800           0
-     668 WATR 47   HOH  OT     70  -8.34000000e-01 15.9994           0
-     669 WATR 47   HOH  HT      1   4.17000000e-01 1.00800           0
-     670 WATR 47   HOH  HT      1   4.17000000e-01 1.00800           0
-     671 WATR 48   HOH  OT     70  -8.34000000e-01 15.9994           0
-     672 WATR 48   HOH  HT      1   4.17000000e-01 1.00800           0
-     673 WATR 48   HOH  HT      1   4.17000000e-01 1.00800           0
-     674 WATR 49   HOH  OT     70  -8.34000000e-01 15.9994           0
-     675 WATR 49   HOH  HT      1   4.17000000e-01 1.00800           0
-     676 WATR 49   HOH  HT      1   4.17000000e-01 1.00800           0
-     677 WATR 50   HOH  OT     70  -8.34000000e-01 15.9994           0
-     678 WATR 50   HOH  HT      1   4.17000000e-01 1.00800           0
-     679 WATR 50   HOH  HT      1   4.17000000e-01 1.00800           0
-     680 WATR 51   HOH  OT     70  -8.34000000e-01 15.9994           0
-     681 WATR 51   HOH  HT      1   4.17000000e-01 1.00800           0
-     682 WATR 51   HOH  HT      1   4.17000000e-01 1.00800           0
-     683 WATR 52   HOH  OT     70  -8.34000000e-01 15.9994           0
-     684 WATR 52   HOH  HT      1   4.17000000e-01 1.00800           0
-     685 WATR 52   HOH  HT      1   4.17000000e-01 1.00800           0
-     686 WATR 53   HOH  OT     70  -8.34000000e-01 15.9994           0
-     687 WATR 53   HOH  HT      1   4.17000000e-01 1.00800           0
-     688 WATR 53   HOH  HT      1   4.17000000e-01 1.00800           0
-     689 WATR 54   HOH  OT     70  -8.34000000e-01 15.9994           0
-     690 WATR 54   HOH  HT      1   4.17000000e-01 1.00800           0
-     691 WATR 54   HOH  HT      1   4.17000000e-01 1.00800           0
-     692 WATR 55   HOH  OT     70  -8.34000000e-01 15.9994           0
-     693 WATR 55   HOH  HT      1   4.17000000e-01 1.00800           0
-     694 WATR 55   HOH  HT      1   4.17000000e-01 1.00800           0
-     695 WATR 56   HOH  OT     70  -8.34000000e-01 15.9994           0
-     696 WATR 56   HOH  HT      1   4.17000000e-01 1.00800           0
-     697 WATR 56   HOH  HT      1   4.17000000e-01 1.00800           0
-     698 WATR 57   HOH  OT     70  -8.34000000e-01 15.9994           0
-     699 WATR 57   HOH  HT      1   4.17000000e-01 1.00800           0
-     700 WATR 57   HOH  HT      1   4.17000000e-01 1.00800           0
-     701 WATR 58   HOH  OT     70  -8.34000000e-01 15.9994           0
-     702 WATR 58   HOH  HT      1   4.17000000e-01 1.00800           0
-     703 WATR 58   HOH  HT      1   4.17000000e-01 1.00800           0
-     704 WATR 59   HOH  OT     70  -8.34000000e-01 15.9994           0
-     705 WATR 59   HOH  HT      1   4.17000000e-01 1.00800           0
-     706 WATR 59   HOH  HT      1   4.17000000e-01 1.00800           0
-     707 WATR 60   HOH  OT     70  -8.34000000e-01 15.9994           0
-     708 WATR 60   HOH  HT      1   4.17000000e-01 1.00800           0
-     709 WATR 60   HOH  HT      1   4.17000000e-01 1.00800           0
-     710 WATR 61   HOH  OT     70  -8.34000000e-01 15.9994           0
-     711 WATR 61   HOH  HT      1   4.17000000e-01 1.00800           0
-     712 WATR 61   HOH  HT      1   4.17000000e-01 1.00800           0
-     713 WATR 62   HOH  OT     70  -8.34000000e-01 15.9994           0
-     714 WATR 62   HOH  HT      1   4.17000000e-01 1.00800           0
-     715 WATR 62   HOH  HT      1   4.17000000e-01 1.00800           0
-     716 WATR 63   HOH  OT     70  -8.34000000e-01 15.9994           0
-     717 WATR 63   HOH  HT      1   4.17000000e-01 1.00800           0
-     718 WATR 63   HOH  HT      1   4.17000000e-01 1.00800           0
-     719 WATR 64   HOH  OT     70  -8.34000000e-01 15.9994           0
-     720 WATR 64   HOH  HT      1   4.17000000e-01 1.00800           0
-     721 WATR 64   HOH  HT      1   4.17000000e-01 1.00800           0
-     722 WATR 65   HOH  OT     70  -8.34000000e-01 15.9994           0
-     723 WATR 65   HOH  HT      1   4.17000000e-01 1.00800           0
-     724 WATR 65   HOH  HT      1   4.17000000e-01 1.00800           0
-     725 WATR 66   HOH  OT     70  -8.34000000e-01 15.9994           0
-     726 WATR 66   HOH  HT      1   4.17000000e-01 1.00800           0
-     727 WATR 66   HOH  HT      1   4.17000000e-01 1.00800           0
-     728 WATR 67   HOH  OT     70  -8.34000000e-01 15.9994           0
-     729 WATR 67   HOH  HT      1   4.17000000e-01 1.00800           0
-     730 WATR 67   HOH  HT      1   4.17000000e-01 1.00800           0
-     731 WATR 68   HOH  OT     70  -8.34000000e-01 15.9994           0
-     732 WATR 68   HOH  HT      1   4.17000000e-01 1.00800           0
-     733 WATR 68   HOH  HT      1   4.17000000e-01 1.00800           0
-     734 WATR 69   HOH  OT     70  -8.34000000e-01 15.9994           0
-     735 WATR 69   HOH  HT      1   4.17000000e-01 1.00800           0
-     736 WATR 69   HOH  HT      1   4.17000000e-01 1.00800           0
-     737 WATR 70   HOH  OT     70  -8.34000000e-01 15.9994           0
-     738 WATR 70   HOH  HT      1   4.17000000e-01 1.00800           0
-     739 WATR 70   HOH  HT      1   4.17000000e-01 1.00800           0
-     740 WATR 71   HOH  OT     70  -8.34000000e-01 15.9994           0
-     741 WATR 71   HOH  HT      1   4.17000000e-01 1.00800           0
-     742 WATR 71   HOH  HT      1   4.17000000e-01 1.00800           0
-     743 WATR 72   HOH  OT     70  -8.34000000e-01 15.9994           0
-     744 WATR 72   HOH  HT      1   4.17000000e-01 1.00800           0
-     745 WATR 72   HOH  HT      1   4.17000000e-01 1.00800           0
-     746 WATR 73   HOH  OT     70  -8.34000000e-01 15.9994           0
-     747 WATR 73   HOH  HT      1   4.17000000e-01 1.00800           0
-     748 WATR 73   HOH  HT      1   4.17000000e-01 1.00800           0
-     749 WATR 74   HOH  OT     70  -8.34000000e-01 15.9994           0
-     750 WATR 74   HOH  HT      1   4.17000000e-01 1.00800           0
-     751 WATR 74   HOH  HT      1   4.17000000e-01 1.00800           0
-     752 WATR 75   HOH  OT     70  -8.34000000e-01 15.9994           0
-     753 WATR 75   HOH  HT      1   4.17000000e-01 1.00800           0
-     754 WATR 75   HOH  HT      1   4.17000000e-01 1.00800           0
-     755 WATR 76   HOH  OT     70  -8.34000000e-01 15.9994           0
-     756 WATR 76   HOH  HT      1   4.17000000e-01 1.00800           0
-     757 WATR 76   HOH  HT      1   4.17000000e-01 1.00800           0
-     758 WATR 77   HOH  OT     70  -8.34000000e-01 15.9994           0
-     759 WATR 77   HOH  HT      1   4.17000000e-01 1.00800           0
-     760 WATR 77   HOH  HT      1   4.17000000e-01 1.00800           0
-     761 WATR 78   HOH  OT     70  -8.34000000e-01 15.9994           0
-     762 WATR 78   HOH  HT      1   4.17000000e-01 1.00800           0
-     763 WATR 78   HOH  HT      1   4.17000000e-01 1.00800           0
-     764 WATR 79   HOH  OT     70  -8.34000000e-01 15.9994           0
-     765 WATR 79   HOH  HT      1   4.17000000e-01 1.00800           0
-     766 WATR 79   HOH  HT      1   4.17000000e-01 1.00800           0
-     767 WATR 80   HOH  OT     70  -8.34000000e-01 15.9994           0
-     768 WATR 80   HOH  HT      1   4.17000000e-01 1.00800           0
-     769 WATR 80   HOH  HT      1   4.17000000e-01 1.00800           0
-     770 WATR 81   HOH  OT     70  -8.34000000e-01 15.9994           0
-     771 WATR 81   HOH  HT      1   4.17000000e-01 1.00800           0
-     772 WATR 81   HOH  HT      1   4.17000000e-01 1.00800           0
-     773 WATR 82   HOH  OT     70  -8.34000000e-01 15.9994           0
-     774 WATR 82   HOH  HT      1   4.17000000e-01 1.00800           0
-     775 WATR 82   HOH  HT      1   4.17000000e-01 1.00800           0
-     776 WATR 83   HOH  OT     70  -8.34000000e-01 15.9994           0
-     777 WATR 83   HOH  HT      1   4.17000000e-01 1.00800           0
-     778 WATR 83   HOH  HT      1   4.17000000e-01 1.00800           0
-     779 WATR 84   HOH  OT     70  -8.34000000e-01 15.9994           0
-     780 WATR 84   HOH  HT      1   4.17000000e-01 1.00800           0
-     781 WATR 84   HOH  HT      1   4.17000000e-01 1.00800           0
-     782 WATR 85   HOH  OT     70  -8.34000000e-01 15.9994           0
-     783 WATR 85   HOH  HT      1   4.17000000e-01 1.00800           0
-     784 WATR 85   HOH  HT      1   4.17000000e-01 1.00800           0
-     785 WATR 86   HOH  OT     70  -8.34000000e-01 15.9994           0
-     786 WATR 86   HOH  HT      1   4.17000000e-01 1.00800           0
-     787 WATR 86   HOH  HT      1   4.17000000e-01 1.00800           0
-     788 WATR 87   HOH  OT     70  -8.34000000e-01 15.9994           0
-     789 WATR 87   HOH  HT      1   4.17000000e-01 1.00800           0
-     790 WATR 87   HOH  HT      1   4.17000000e-01 1.00800           0
-     791 WATR 88   HOH  OT     70  -8.34000000e-01 15.9994           0
-     792 WATR 88   HOH  HT      1   4.17000000e-01 1.00800           0
-     793 WATR 88   HOH  HT      1   4.17000000e-01 1.00800           0
-     794 WATR 89   HOH  OT     70  -8.34000000e-01 15.9994           0
-     795 WATR 89   HOH  HT      1   4.17000000e-01 1.00800           0
-     796 WATR 89   HOH  HT      1   4.17000000e-01 1.00800           0
-     797 WATR 90   HOH  OT     70  -8.34000000e-01 15.9994           0
-     798 WATR 90   HOH  HT      1   4.17000000e-01 1.00800           0
-     799 WATR 90   HOH  HT      1   4.17000000e-01 1.00800           0
-     800 WATR 91   HOH  OT     70  -8.34000000e-01 15.9994           0
-     801 WATR 91   HOH  HT      1   4.17000000e-01 1.00800           0
-     802 WATR 91   HOH  HT      1   4.17000000e-01 1.00800           0
-     803 WATR 92   HOH  OT     70  -8.34000000e-01 15.9994           0
-     804 WATR 92   HOH  HT      1   4.17000000e-01 1.00800           0
-     805 WATR 92   HOH  HT      1   4.17000000e-01 1.00800           0
-     806 WATR 93   HOH  OT     70  -8.34000000e-01 15.9994           0
-     807 WATR 93   HOH  HT      1   4.17000000e-01 1.00800           0
-     808 WATR 93   HOH  HT      1   4.17000000e-01 1.00800           0
-     809 WATR 94   HOH  OT     70  -8.34000000e-01 15.9994           0
-     810 WATR 94   HOH  HT      1   4.17000000e-01 1.00800           0
-     811 WATR 94   HOH  HT      1   4.17000000e-01 1.00800           0
-     812 WATR 95   HOH  OT     70  -8.34000000e-01 15.9994           0
-     813 WATR 95   HOH  HT      1   4.17000000e-01 1.00800           0
-     814 WATR 95   HOH  HT      1   4.17000000e-01 1.00800           0
-     815 WATR 96   HOH  OT     70  -8.34000000e-01 15.9994           0
-     816 WATR 96   HOH  HT      1   4.17000000e-01 1.00800           0
-     817 WATR 96   HOH  HT      1   4.17000000e-01 1.00800           0
-     818 WATR 97   HOH  OT     70  -8.34000000e-01 15.9994           0
-     819 WATR 97   HOH  HT      1   4.17000000e-01 1.00800           0
-     820 WATR 97   HOH  HT      1   4.17000000e-01 1.00800           0
-     821 WATR 98   HOH  OT     70  -8.34000000e-01 15.9994           0
-     822 WATR 98   HOH  HT      1   4.17000000e-01 1.00800           0
-     823 WATR 98   HOH  HT      1   4.17000000e-01 1.00800           0
-     824 SALT 3    ION  SOD    90   1.00000000e+00 22.9897           0
-     825 WATR 99   HOH  OT     70  -8.34000000e-01 15.9994           0
-     826 WATR 99   HOH  HT      1   4.17000000e-01 1.00800           0
-     827 WATR 99   HOH  HT      1   4.17000000e-01 1.00800           0
-     828 WATR 100  HOH  OT     70  -8.34000000e-01 15.9994           0
-     829 WATR 100  HOH  HT      1   4.17000000e-01 1.00800           0
-     830 WATR 100  HOH  HT      1   4.17000000e-01 1.00800           0
-     831 WATR 101  HOH  OT     70  -8.34000000e-01 15.9994           0
-     832 WATR 101  HOH  HT      1   4.17000000e-01 1.00800           0
-     833 WATR 101  HOH  HT      1   4.17000000e-01 1.00800           0
-     834 WATR 102  HOH  OT     70  -8.34000000e-01 15.9994           0
-     835 WATR 102  HOH  HT      1   4.17000000e-01 1.00800           0
-     836 WATR 102  HOH  HT      1   4.17000000e-01 1.00800           0
-     837 WATR 103  HOH  OT     70  -8.34000000e-01 15.9994           0
-     838 WATR 103  HOH  HT      1   4.17000000e-01 1.00800           0
-     839 WATR 103  HOH  HT      1   4.17000000e-01 1.00800           0
-     840 WATR 104  HOH  OT     70  -8.34000000e-01 15.9994           0
-     841 WATR 104  HOH  HT      1   4.17000000e-01 1.00800           0
-     842 WATR 104  HOH  HT      1   4.17000000e-01 1.00800           0
-     843 WATR 105  HOH  OT     70  -8.34000000e-01 15.9994           0
-     844 WATR 105  HOH  HT      1   4.17000000e-01 1.00800           0
-     845 WATR 105  HOH  HT      1   4.17000000e-01 1.00800           0
-     846 WATR 106  HOH  OT     70  -8.34000000e-01 15.9994           0
-     847 WATR 106  HOH  HT      1   4.17000000e-01 1.00800           0
-     848 WATR 106  HOH  HT      1   4.17000000e-01 1.00800           0
-     849 WATR 107  HOH  OT     70  -8.34000000e-01 15.9994           0
-     850 WATR 107  HOH  HT      1   4.17000000e-01 1.00800           0
-     851 WATR 107  HOH  HT      1   4.17000000e-01 1.00800           0
-     852 WATR 108  HOH  OT     70  -8.34000000e-01 15.9994           0
-     853 WATR 108  HOH  HT      1   4.17000000e-01 1.00800           0
-     854 WATR 108  HOH  HT      1   4.17000000e-01 1.00800           0
-     855 WATR 109  HOH  OT     70  -8.34000000e-01 15.9994           0
-     856 WATR 109  HOH  HT      1   4.17000000e-01 1.00800           0
-     857 WATR 109  HOH  HT      1   4.17000000e-01 1.00800           0
-     858 SALT 4    ION  SOD    90   1.00000000e+00 22.9897           0
-     859 WATR 110  HOH  OT     70  -8.34000000e-01 15.9994           0
-     860 WATR 110  HOH  HT      1   4.17000000e-01 1.00800           0
-     861 WATR 110  HOH  HT      1   4.17000000e-01 1.00800           0
-     862 WATR 111  HOH  OT     70  -8.34000000e-01 15.9994           0
-     863 WATR 111  HOH  HT      1   4.17000000e-01 1.00800           0
-     864 WATR 111  HOH  HT      1   4.17000000e-01 1.00800           0
-     865 SALT 5    ION  SOD    90   1.00000000e+00 22.9897           0
-     866 WATR 112  HOH  OT     70  -8.34000000e-01 15.9994           0
-     867 WATR 112  HOH  HT      1   4.17000000e-01 1.00800           0
-     868 WATR 112  HOH  HT      1   4.17000000e-01 1.00800           0
-     869 WATR 113  HOH  OT     70  -8.34000000e-01 15.9994           0
-     870 WATR 113  HOH  HT      1   4.17000000e-01 1.00800           0
-     871 WATR 113  HOH  HT      1   4.17000000e-01 1.00800           0
-     872 WATR 114  HOH  OT     70  -8.34000000e-01 15.9994           0
-     873 WATR 114  HOH  HT      1   4.17000000e-01 1.00800           0
-     874 WATR 114  HOH  HT      1   4.17000000e-01 1.00800           0
-     875 WATR 115  HOH  OT     70  -8.34000000e-01 15.9994           0
-     876 WATR 115  HOH  HT      1   4.17000000e-01 1.00800           0
-     877 WATR 115  HOH  HT      1   4.17000000e-01 1.00800           0
-     878 WATR 116  HOH  OT     70  -8.34000000e-01 15.9994           0
-     879 WATR 116  HOH  HT      1   4.17000000e-01 1.00800           0
-     880 WATR 116  HOH  HT      1   4.17000000e-01 1.00800           0
-     881 WATR 117  HOH  OT     70  -8.34000000e-01 15.9994           0
-     882 WATR 117  HOH  HT      1   4.17000000e-01 1.00800           0
-     883 WATR 117  HOH  HT      1   4.17000000e-01 1.00800           0
-     884 WATR 118  HOH  OT     70  -8.34000000e-01 15.9994           0
-     885 WATR 118  HOH  HT      1   4.17000000e-01 1.00800           0
-     886 WATR 118  HOH  HT      1   4.17000000e-01 1.00800           0
-     887 WATR 119  HOH  OT     70  -8.34000000e-01 15.9994           0
-     888 WATR 119  HOH  HT      1   4.17000000e-01 1.00800           0
-     889 WATR 119  HOH  HT      1   4.17000000e-01 1.00800           0
-     890 WATR 120  HOH  OT     70  -8.34000000e-01 15.9994           0
-     891 WATR 120  HOH  HT      1   4.17000000e-01 1.00800           0
-     892 WATR 120  HOH  HT      1   4.17000000e-01 1.00800           0
-     893 WATR 121  HOH  OT     70  -8.34000000e-01 15.9994           0
-     894 WATR 121  HOH  HT      1   4.17000000e-01 1.00800           0
-     895 WATR 121  HOH  HT      1   4.17000000e-01 1.00800           0
-     896 WATR 122  HOH  OT     70  -8.34000000e-01 15.9994           0
-     897 WATR 122  HOH  HT      1   4.17000000e-01 1.00800           0
-     898 WATR 122  HOH  HT      1   4.17000000e-01 1.00800           0
-     899 WATR 123  HOH  OT     70  -8.34000000e-01 15.9994           0
-     900 WATR 123  HOH  HT      1   4.17000000e-01 1.00800           0
-     901 WATR 123  HOH  HT      1   4.17000000e-01 1.00800           0
-     902 WATR 124  HOH  OT     70  -8.34000000e-01 15.9994           0
-     903 WATR 124  HOH  HT      1   4.17000000e-01 1.00800           0
-     904 WATR 124  HOH  HT      1   4.17000000e-01 1.00800           0
-     905 WATR 125  HOH  OT     70  -8.34000000e-01 15.9994           0
-     906 WATR 125  HOH  HT      1   4.17000000e-01 1.00800           0
-     907 WATR 125  HOH  HT      1   4.17000000e-01 1.00800           0
-     908 WATR 126  HOH  OT     70  -8.34000000e-01 15.9994           0
-     909 WATR 126  HOH  HT      1   4.17000000e-01 1.00800           0
-     910 WATR 126  HOH  HT      1   4.17000000e-01 1.00800           0
-     911 WATR 127  HOH  OT     70  -8.34000000e-01 15.9994           0
-     912 WATR 127  HOH  HT      1   4.17000000e-01 1.00800           0
-     913 WATR 127  HOH  HT      1   4.17000000e-01 1.00800           0
-     914 WATR 128  HOH  OT     70  -8.34000000e-01 15.9994           0
-     915 WATR 128  HOH  HT      1   4.17000000e-01 1.00800           0
-     916 WATR 128  HOH  HT      1   4.17000000e-01 1.00800           0
-     917 WATR 129  HOH  OT     70  -8.34000000e-01 15.9994           0
-     918 WATR 129  HOH  HT      1   4.17000000e-01 1.00800           0
-     919 WATR 129  HOH  HT      1   4.17000000e-01 1.00800           0
-     920 WATR 130  HOH  OT     70  -8.34000000e-01 15.9994           0
-     921 WATR 130  HOH  HT      1   4.17000000e-01 1.00800           0
-     922 WATR 130  HOH  HT      1   4.17000000e-01 1.00800           0
-     923 WATR 131  HOH  OT     70  -8.34000000e-01 15.9994           0
-     924 WATR 131  HOH  HT      1   4.17000000e-01 1.00800           0
-     925 WATR 131  HOH  HT      1   4.17000000e-01 1.00800           0
-     926 WATR 132  HOH  OT     70  -8.34000000e-01 15.9994           0
-     927 WATR 132  HOH  HT      1   4.17000000e-01 1.00800           0
-     928 WATR 132  HOH  HT      1   4.17000000e-01 1.00800           0
-     929 WATR 133  HOH  OT     70  -8.34000000e-01 15.9994           0
-     930 WATR 133  HOH  HT      1   4.17000000e-01 1.00800           0
-     931 WATR 133  HOH  HT      1   4.17000000e-01 1.00800           0
-     932 WATR 134  HOH  OT     70  -8.34000000e-01 15.9994           0
-     933 WATR 134  HOH  HT      1   4.17000000e-01 1.00800           0
-     934 WATR 134  HOH  HT      1   4.17000000e-01 1.00800           0
-     935 WATR 135  HOH  OT     70  -8.34000000e-01 15.9994           0
-     936 WATR 135  HOH  HT      1   4.17000000e-01 1.00800           0
-     937 WATR 135  HOH  HT      1   4.17000000e-01 1.00800           0
-     938 WATR 136  HOH  OT     70  -8.34000000e-01 15.9994           0
-     939 WATR 136  HOH  HT      1   4.17000000e-01 1.00800           0
-     940 WATR 136  HOH  HT      1   4.17000000e-01 1.00800           0
-     941 WATR 137  HOH  OT     70  -8.34000000e-01 15.9994           0
-     942 WATR 137  HOH  HT      1   4.17000000e-01 1.00800           0
-     943 WATR 137  HOH  HT      1   4.17000000e-01 1.00800           0
-     944 WATR 138  HOH  OT     70  -8.34000000e-01 15.9994           0
-     945 WATR 138  HOH  HT      1   4.17000000e-01 1.00800           0
-     946 WATR 138  HOH  HT      1   4.17000000e-01 1.00800           0
-     947 WATR 139  HOH  OT     70  -8.34000000e-01 15.9994           0
-     948 WATR 139  HOH  HT      1   4.17000000e-01 1.00800           0
-     949 WATR 139  HOH  HT      1   4.17000000e-01 1.00800           0
-     950 WATR 140  HOH  OT     70  -8.34000000e-01 15.9994           0
-     951 WATR 140  HOH  HT      1   4.17000000e-01 1.00800           0
-     952 WATR 140  HOH  HT      1   4.17000000e-01 1.00800           0
-     953 WATR 141  HOH  OT     70  -8.34000000e-01 15.9994           0
-     954 WATR 141  HOH  HT      1   4.17000000e-01 1.00800           0
-     955 WATR 141  HOH  HT      1   4.17000000e-01 1.00800           0
-     956 WATR 142  HOH  OT     70  -8.34000000e-01 15.9994           0
-     957 WATR 142  HOH  HT      1   4.17000000e-01 1.00800           0
-     958 WATR 142  HOH  HT      1   4.17000000e-01 1.00800           0
-     959 WATR 143  HOH  OT     70  -8.34000000e-01 15.9994           0
-     960 WATR 143  HOH  HT      1   4.17000000e-01 1.00800           0
-     961 WATR 143  HOH  HT      1   4.17000000e-01 1.00800           0
-     962 WATR 144  HOH  OT     70  -8.34000000e-01 15.9994           0
-     963 WATR 144  HOH  HT      1   4.17000000e-01 1.00800           0
-     964 WATR 144  HOH  HT      1   4.17000000e-01 1.00800           0
-     965 WATR 145  HOH  OT     70  -8.34000000e-01 15.9994           0
-     966 WATR 145  HOH  HT      1   4.17000000e-01 1.00800           0
-     967 WATR 145  HOH  HT      1   4.17000000e-01 1.00800           0
-     968 WATR 146  HOH  OT     70  -8.34000000e-01 15.9994           0
-     969 WATR 146  HOH  HT      1   4.17000000e-01 1.00800           0
-     970 WATR 146  HOH  HT      1   4.17000000e-01 1.00800           0
-     971 WATR 147  HOH  OT     70  -8.34000000e-01 15.9994           0
-     972 WATR 147  HOH  HT      1   4.17000000e-01 1.00800           0
-     973 WATR 147  HOH  HT      1   4.17000000e-01 1.00800           0
-     974 WATR 148  HOH  OT     70  -8.34000000e-01 15.9994           0
-     975 WATR 148  HOH  HT      1   4.17000000e-01 1.00800           0
-     976 WATR 148  HOH  HT      1   4.17000000e-01 1.00800           0
-     977 WATR 149  HOH  OT     70  -8.34000000e-01 15.9994           0
-     978 WATR 149  HOH  HT      1   4.17000000e-01 1.00800           0
-     979 WATR 149  HOH  HT      1   4.17000000e-01 1.00800           0
-     980 WATR 150  HOH  OT     70  -8.34000000e-01 15.9994           0
-     981 WATR 150  HOH  HT      1   4.17000000e-01 1.00800           0
-     982 WATR 150  HOH  HT      1   4.17000000e-01 1.00800           0
-     983 WATR 151  HOH  OT     70  -8.34000000e-01 15.9994           0
-     984 WATR 151  HOH  HT      1   4.17000000e-01 1.00800           0
-     985 WATR 151  HOH  HT      1   4.17000000e-01 1.00800           0
-     986 WATR 152  HOH  OT     70  -8.34000000e-01 15.9994           0
-     987 WATR 152  HOH  HT      1   4.17000000e-01 1.00800           0
-     988 WATR 152  HOH  HT      1   4.17000000e-01 1.00800           0
-     989 WATR 153  HOH  OT     70  -8.34000000e-01 15.9994           0
-     990 WATR 153  HOH  HT      1   4.17000000e-01 1.00800           0
-     991 WATR 153  HOH  HT      1   4.17000000e-01 1.00800           0
-     992 WATR 154  HOH  OT     70  -8.34000000e-01 15.9994           0
-     993 WATR 154  HOH  HT      1   4.17000000e-01 1.00800           0
-     994 WATR 154  HOH  HT      1   4.17000000e-01 1.00800           0
-     995 WATR 155  HOH  OT     70  -8.34000000e-01 15.9994           0
-     996 WATR 155  HOH  HT      1   4.17000000e-01 1.00800           0
-     997 WATR 155  HOH  HT      1   4.17000000e-01 1.00800           0
-     998 WATR 156  HOH  OT     70  -8.34000000e-01 15.9994           0
-     999 WATR 156  HOH  HT      1   4.17000000e-01 1.00800           0
-    1000 WATR 156  HOH  HT      1   4.17000000e-01 1.00800           0
-    1001 WATR 157  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1002 WATR 157  HOH  HT      1   4.17000000e-01 1.00800           0
-    1003 WATR 157  HOH  HT      1   4.17000000e-01 1.00800           0
-    1004 WATR 158  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1005 WATR 158  HOH  HT      1   4.17000000e-01 1.00800           0
-    1006 WATR 158  HOH  HT      1   4.17000000e-01 1.00800           0
-    1007 WATR 159  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1008 WATR 159  HOH  HT      1   4.17000000e-01 1.00800           0
-    1009 WATR 159  HOH  HT      1   4.17000000e-01 1.00800           0
-    1010 SALT 6    ION  SOD    90   1.00000000e+00 22.9897           0
-    1011 WATR 160  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1012 WATR 160  HOH  HT      1   4.17000000e-01 1.00800           0
-    1013 WATR 160  HOH  HT      1   4.17000000e-01 1.00800           0
-    1014 WATR 161  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1015 WATR 161  HOH  HT      1   4.17000000e-01 1.00800           0
-    1016 WATR 161  HOH  HT      1   4.17000000e-01 1.00800           0
-    1017 WATR 162  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1018 WATR 162  HOH  HT      1   4.17000000e-01 1.00800           0
-    1019 WATR 162  HOH  HT      1   4.17000000e-01 1.00800           0
-    1020 WATR 163  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1021 WATR 163  HOH  HT      1   4.17000000e-01 1.00800           0
-    1022 WATR 163  HOH  HT      1   4.17000000e-01 1.00800           0
-    1023 WATR 164  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1024 WATR 164  HOH  HT      1   4.17000000e-01 1.00800           0
-    1025 WATR 164  HOH  HT      1   4.17000000e-01 1.00800           0
-    1026 WATR 165  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1027 WATR 165  HOH  HT      1   4.17000000e-01 1.00800           0
-    1028 WATR 165  HOH  HT      1   4.17000000e-01 1.00800           0
-    1029 WATR 166  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1030 WATR 166  HOH  HT      1   4.17000000e-01 1.00800           0
-    1031 WATR 166  HOH  HT      1   4.17000000e-01 1.00800           0
-    1032 WATR 167  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1033 WATR 167  HOH  HT      1   4.17000000e-01 1.00800           0
-    1034 WATR 167  HOH  HT      1   4.17000000e-01 1.00800           0
-    1035 WATR 168  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1036 WATR 168  HOH  HT      1   4.17000000e-01 1.00800           0
-    1037 WATR 168  HOH  HT      1   4.17000000e-01 1.00800           0
-    1038 WATR 169  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1039 WATR 169  HOH  HT      1   4.17000000e-01 1.00800           0
-    1040 WATR 169  HOH  HT      1   4.17000000e-01 1.00800           0
-    1041 WATR 170  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1042 WATR 170  HOH  HT      1   4.17000000e-01 1.00800           0
-    1043 WATR 170  HOH  HT      1   4.17000000e-01 1.00800           0
-    1044 WATR 171  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1045 WATR 171  HOH  HT      1   4.17000000e-01 1.00800           0
-    1046 WATR 171  HOH  HT      1   4.17000000e-01 1.00800           0
-    1047 WATR 172  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1048 WATR 172  HOH  HT      1   4.17000000e-01 1.00800           0
-    1049 WATR 172  HOH  HT      1   4.17000000e-01 1.00800           0
-    1050 WATR 173  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1051 WATR 173  HOH  HT      1   4.17000000e-01 1.00800           0
-    1052 WATR 173  HOH  HT      1   4.17000000e-01 1.00800           0
-    1053 WATR 174  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1054 WATR 174  HOH  HT      1   4.17000000e-01 1.00800           0
-    1055 WATR 174  HOH  HT      1   4.17000000e-01 1.00800           0
-    1056 WATR 175  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1057 WATR 175  HOH  HT      1   4.17000000e-01 1.00800           0
-    1058 WATR 175  HOH  HT      1   4.17000000e-01 1.00800           0
-    1059 WATR 176  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1060 WATR 176  HOH  HT      1   4.17000000e-01 1.00800           0
-    1061 WATR 176  HOH  HT      1   4.17000000e-01 1.00800           0
-    1062 SALT 7    ION  SOD    90   1.00000000e+00 22.9897           0
-    1063 WATR 177  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1064 WATR 177  HOH  HT      1   4.17000000e-01 1.00800           0
-    1065 WATR 177  HOH  HT      1   4.17000000e-01 1.00800           0
-    1066 WATR 178  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1067 WATR 178  HOH  HT      1   4.17000000e-01 1.00800           0
-    1068 WATR 178  HOH  HT      1   4.17000000e-01 1.00800           0
-    1069 WATR 179  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1070 WATR 179  HOH  HT      1   4.17000000e-01 1.00800           0
-    1071 WATR 179  HOH  HT      1   4.17000000e-01 1.00800           0
-    1072 WATR 180  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1073 WATR 180  HOH  HT      1   4.17000000e-01 1.00800           0
-    1074 WATR 180  HOH  HT      1   4.17000000e-01 1.00800           0
-    1075 WATR 181  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1076 WATR 181  HOH  HT      1   4.17000000e-01 1.00800           0
-    1077 WATR 181  HOH  HT      1   4.17000000e-01 1.00800           0
-    1078 WATR 182  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1079 WATR 182  HOH  HT      1   4.17000000e-01 1.00800           0
-    1080 WATR 182  HOH  HT      1   4.17000000e-01 1.00800           0
-    1081 WATR 183  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1082 WATR 183  HOH  HT      1   4.17000000e-01 1.00800           0
-    1083 WATR 183  HOH  HT      1   4.17000000e-01 1.00800           0
-    1084 WATR 184  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1085 WATR 184  HOH  HT      1   4.17000000e-01 1.00800           0
-    1086 WATR 184  HOH  HT      1   4.17000000e-01 1.00800           0
-    1087 WATR 185  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1088 WATR 185  HOH  HT      1   4.17000000e-01 1.00800           0
-    1089 WATR 185  HOH  HT      1   4.17000000e-01 1.00800           0
-    1090 WATR 186  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1091 WATR 186  HOH  HT      1   4.17000000e-01 1.00800           0
-    1092 WATR 186  HOH  HT      1   4.17000000e-01 1.00800           0
-    1093 WATR 187  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1094 WATR 187  HOH  HT      1   4.17000000e-01 1.00800           0
-    1095 WATR 187  HOH  HT      1   4.17000000e-01 1.00800           0
-    1096 WATR 188  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1097 WATR 188  HOH  HT      1   4.17000000e-01 1.00800           0
-    1098 WATR 188  HOH  HT      1   4.17000000e-01 1.00800           0
-    1099 WATR 189  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1100 WATR 189  HOH  HT      1   4.17000000e-01 1.00800           0
-    1101 WATR 189  HOH  HT      1   4.17000000e-01 1.00800           0
-    1102 WATR 190  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1103 WATR 190  HOH  HT      1   4.17000000e-01 1.00800           0
-    1104 WATR 190  HOH  HT      1   4.17000000e-01 1.00800           0
-    1105 WATR 191  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1106 WATR 191  HOH  HT      1   4.17000000e-01 1.00800           0
-    1107 WATR 191  HOH  HT      1   4.17000000e-01 1.00800           0
-    1108 WATR 192  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1109 WATR 192  HOH  HT      1   4.17000000e-01 1.00800           0
-    1110 WATR 192  HOH  HT      1   4.17000000e-01 1.00800           0
-    1111 WATR 193  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1112 WATR 193  HOH  HT      1   4.17000000e-01 1.00800           0
-    1113 WATR 193  HOH  HT      1   4.17000000e-01 1.00800           0
-    1114 WATR 194  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1115 WATR 194  HOH  HT      1   4.17000000e-01 1.00800           0
-    1116 WATR 194  HOH  HT      1   4.17000000e-01 1.00800           0
-    1117 WATR 195  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1118 WATR 195  HOH  HT      1   4.17000000e-01 1.00800           0
-    1119 WATR 195  HOH  HT      1   4.17000000e-01 1.00800           0
-    1120 WATR 196  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1121 WATR 196  HOH  HT      1   4.17000000e-01 1.00800           0
-    1122 WATR 196  HOH  HT      1   4.17000000e-01 1.00800           0
-    1123 WATR 197  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1124 WATR 197  HOH  HT      1   4.17000000e-01 1.00800           0
-    1125 WATR 197  HOH  HT      1   4.17000000e-01 1.00800           0
-    1126 WATR 198  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1127 WATR 198  HOH  HT      1   4.17000000e-01 1.00800           0
-    1128 WATR 198  HOH  HT      1   4.17000000e-01 1.00800           0
-    1129 WATR 199  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1130 WATR 199  HOH  HT      1   4.17000000e-01 1.00800           0
-    1131 WATR 199  HOH  HT      1   4.17000000e-01 1.00800           0
-    1132 WATR 200  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1133 WATR 200  HOH  HT      1   4.17000000e-01 1.00800           0
-    1134 WATR 200  HOH  HT      1   4.17000000e-01 1.00800           0
-    1135 WATR 201  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1136 WATR 201  HOH  HT      1   4.17000000e-01 1.00800           0
-    1137 WATR 201  HOH  HT      1   4.17000000e-01 1.00800           0
-    1138 WATR 202  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1139 WATR 202  HOH  HT      1   4.17000000e-01 1.00800           0
-    1140 WATR 202  HOH  HT      1   4.17000000e-01 1.00800           0
-    1141 WATR 203  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1142 WATR 203  HOH  HT      1   4.17000000e-01 1.00800           0
-    1143 WATR 203  HOH  HT      1   4.17000000e-01 1.00800           0
-    1144 WATR 204  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1145 WATR 204  HOH  HT      1   4.17000000e-01 1.00800           0
-    1146 WATR 204  HOH  HT      1   4.17000000e-01 1.00800           0
-    1147 WATR 205  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1148 WATR 205  HOH  HT      1   4.17000000e-01 1.00800           0
-    1149 WATR 205  HOH  HT      1   4.17000000e-01 1.00800           0
-    1150 WATR 206  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1151 WATR 206  HOH  HT      1   4.17000000e-01 1.00800           0
-    1152 WATR 206  HOH  HT      1   4.17000000e-01 1.00800           0
-    1153 WATR 207  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1154 WATR 207  HOH  HT      1   4.17000000e-01 1.00800           0
-    1155 WATR 207  HOH  HT      1   4.17000000e-01 1.00800           0
-    1156 WATR 208  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1157 WATR 208  HOH  HT      1   4.17000000e-01 1.00800           0
-    1158 WATR 208  HOH  HT      1   4.17000000e-01 1.00800           0
-    1159 WATR 209  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1160 WATR 209  HOH  HT      1   4.17000000e-01 1.00800           0
-    1161 WATR 209  HOH  HT      1   4.17000000e-01 1.00800           0
-    1162 WATR 210  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1163 WATR 210  HOH  HT      1   4.17000000e-01 1.00800           0
-    1164 WATR 210  HOH  HT      1   4.17000000e-01 1.00800           0
-    1165 WATR 211  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1166 WATR 211  HOH  HT      1   4.17000000e-01 1.00800           0
-    1167 WATR 211  HOH  HT      1   4.17000000e-01 1.00800           0
-    1168 WATR 212  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1169 WATR 212  HOH  HT      1   4.17000000e-01 1.00800           0
-    1170 WATR 212  HOH  HT      1   4.17000000e-01 1.00800           0
-    1171 WATR 213  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1172 WATR 213  HOH  HT      1   4.17000000e-01 1.00800           0
-    1173 WATR 213  HOH  HT      1   4.17000000e-01 1.00800           0
-    1174 WATR 214  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1175 WATR 214  HOH  HT      1   4.17000000e-01 1.00800           0
-    1176 WATR 214  HOH  HT      1   4.17000000e-01 1.00800           0
-    1177 WATR 215  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1178 WATR 215  HOH  HT      1   4.17000000e-01 1.00800           0
-    1179 WATR 215  HOH  HT      1   4.17000000e-01 1.00800           0
-    1180 WATR 216  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1181 WATR 216  HOH  HT      1   4.17000000e-01 1.00800           0
-    1182 WATR 216  HOH  HT      1   4.17000000e-01 1.00800           0
-    1183 WATR 217  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1184 WATR 217  HOH  HT      1   4.17000000e-01 1.00800           0
-    1185 WATR 217  HOH  HT      1   4.17000000e-01 1.00800           0
-    1186 WATR 218  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1187 WATR 218  HOH  HT      1   4.17000000e-01 1.00800           0
-    1188 WATR 218  HOH  HT      1   4.17000000e-01 1.00800           0
-    1189 WATR 219  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1190 WATR 219  HOH  HT      1   4.17000000e-01 1.00800           0
-    1191 WATR 219  HOH  HT      1   4.17000000e-01 1.00800           0
-    1192 WATR 220  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1193 WATR 220  HOH  HT      1   4.17000000e-01 1.00800           0
-    1194 WATR 220  HOH  HT      1   4.17000000e-01 1.00800           0
-    1195 WATR 221  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1196 WATR 221  HOH  HT      1   4.17000000e-01 1.00800           0
-    1197 WATR 221  HOH  HT      1   4.17000000e-01 1.00800           0
-    1198 WATR 222  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1199 WATR 222  HOH  HT      1   4.17000000e-01 1.00800           0
-    1200 WATR 222  HOH  HT      1   4.17000000e-01 1.00800           0
-    1201 WATR 223  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1202 WATR 223  HOH  HT      1   4.17000000e-01 1.00800           0
-    1203 WATR 223  HOH  HT      1   4.17000000e-01 1.00800           0
-    1204 WATR 224  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1205 WATR 224  HOH  HT      1   4.17000000e-01 1.00800           0
-    1206 WATR 224  HOH  HT      1   4.17000000e-01 1.00800           0
-    1207 WATR 225  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1208 WATR 225  HOH  HT      1   4.17000000e-01 1.00800           0
-    1209 WATR 225  HOH  HT      1   4.17000000e-01 1.00800           0
-    1210 WATR 226  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1211 WATR 226  HOH  HT      1   4.17000000e-01 1.00800           0
-    1212 WATR 226  HOH  HT      1   4.17000000e-01 1.00800           0
-    1213 WATR 227  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1214 WATR 227  HOH  HT      1   4.17000000e-01 1.00800           0
-    1215 WATR 227  HOH  HT      1   4.17000000e-01 1.00800           0
-    1216 WATR 228  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1217 WATR 228  HOH  HT      1   4.17000000e-01 1.00800           0
-    1218 WATR 228  HOH  HT      1   4.17000000e-01 1.00800           0
-    1219 WATR 229  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1220 WATR 229  HOH  HT      1   4.17000000e-01 1.00800           0
-    1221 WATR 229  HOH  HT      1   4.17000000e-01 1.00800           0
-    1222 WATR 230  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1223 WATR 230  HOH  HT      1   4.17000000e-01 1.00800           0
-    1224 WATR 230  HOH  HT      1   4.17000000e-01 1.00800           0
-    1225 WATR 231  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1226 WATR 231  HOH  HT      1   4.17000000e-01 1.00800           0
-    1227 WATR 231  HOH  HT      1   4.17000000e-01 1.00800           0
-    1228 WATR 232  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1229 WATR 232  HOH  HT      1   4.17000000e-01 1.00800           0
-    1230 WATR 232  HOH  HT      1   4.17000000e-01 1.00800           0
-    1231 WATR 233  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1232 WATR 233  HOH  HT      1   4.17000000e-01 1.00800           0
-    1233 WATR 233  HOH  HT      1   4.17000000e-01 1.00800           0
-    1234 WATR 234  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1235 WATR 234  HOH  HT      1   4.17000000e-01 1.00800           0
-    1236 WATR 234  HOH  HT      1   4.17000000e-01 1.00800           0
-    1237 WATR 235  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1238 WATR 235  HOH  HT      1   4.17000000e-01 1.00800           0
-    1239 WATR 235  HOH  HT      1   4.17000000e-01 1.00800           0
-    1240 WATR 236  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1241 WATR 236  HOH  HT      1   4.17000000e-01 1.00800           0
-    1242 WATR 236  HOH  HT      1   4.17000000e-01 1.00800           0
-    1243 WATR 237  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1244 WATR 237  HOH  HT      1   4.17000000e-01 1.00800           0
-    1245 WATR 237  HOH  HT      1   4.17000000e-01 1.00800           0
-    1246 WATR 238  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1247 WATR 238  HOH  HT      1   4.17000000e-01 1.00800           0
-    1248 WATR 238  HOH  HT      1   4.17000000e-01 1.00800           0
-    1249 WATR 239  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1250 WATR 239  HOH  HT      1   4.17000000e-01 1.00800           0
-    1251 WATR 239  HOH  HT      1   4.17000000e-01 1.00800           0
-    1252 WATR 240  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1253 WATR 240  HOH  HT      1   4.17000000e-01 1.00800           0
-    1254 WATR 240  HOH  HT      1   4.17000000e-01 1.00800           0
-    1255 WATR 241  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1256 WATR 241  HOH  HT      1   4.17000000e-01 1.00800           0
-    1257 WATR 241  HOH  HT      1   4.17000000e-01 1.00800           0
-    1258 WATR 242  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1259 WATR 242  HOH  HT      1   4.17000000e-01 1.00800           0
-    1260 WATR 242  HOH  HT      1   4.17000000e-01 1.00800           0
-    1261 WATR 243  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1262 WATR 243  HOH  HT      1   4.17000000e-01 1.00800           0
-    1263 WATR 243  HOH  HT      1   4.17000000e-01 1.00800           0
-    1264 SALT 8    ION  SOD    90   1.00000000e+00 22.9897           0
-    1265 WATR 244  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1266 WATR 244  HOH  HT      1   4.17000000e-01 1.00800           0
-    1267 WATR 244  HOH  HT      1   4.17000000e-01 1.00800           0
-    1268 WATR 245  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1269 WATR 245  HOH  HT      1   4.17000000e-01 1.00800           0
-    1270 WATR 245  HOH  HT      1   4.17000000e-01 1.00800           0
-    1271 WATR 246  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1272 WATR 246  HOH  HT      1   4.17000000e-01 1.00800           0
-    1273 WATR 246  HOH  HT      1   4.17000000e-01 1.00800           0
-    1274 WATR 247  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1275 WATR 247  HOH  HT      1   4.17000000e-01 1.00800           0
-    1276 WATR 247  HOH  HT      1   4.17000000e-01 1.00800           0
-    1277 WATR 248  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1278 WATR 248  HOH  HT      1   4.17000000e-01 1.00800           0
-    1279 WATR 248  HOH  HT      1   4.17000000e-01 1.00800           0
-    1280 WATR 249  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1281 WATR 249  HOH  HT      1   4.17000000e-01 1.00800           0
-    1282 WATR 249  HOH  HT      1   4.17000000e-01 1.00800           0
-    1283 WATR 250  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1284 WATR 250  HOH  HT      1   4.17000000e-01 1.00800           0
-    1285 WATR 250  HOH  HT      1   4.17000000e-01 1.00800           0
-    1286 WATR 251  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1287 WATR 251  HOH  HT      1   4.17000000e-01 1.00800           0
-    1288 WATR 251  HOH  HT      1   4.17000000e-01 1.00800           0
-    1289 WATR 252  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1290 WATR 252  HOH  HT      1   4.17000000e-01 1.00800           0
-    1291 WATR 252  HOH  HT      1   4.17000000e-01 1.00800           0
-    1292 WATR 253  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1293 WATR 253  HOH  HT      1   4.17000000e-01 1.00800           0
-    1294 WATR 253  HOH  HT      1   4.17000000e-01 1.00800           0
-    1295 WATR 254  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1296 WATR 254  HOH  HT      1   4.17000000e-01 1.00800           0
-    1297 WATR 254  HOH  HT      1   4.17000000e-01 1.00800           0
-    1298 WATR 255  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1299 WATR 255  HOH  HT      1   4.17000000e-01 1.00800           0
-    1300 WATR 255  HOH  HT      1   4.17000000e-01 1.00800           0
-    1301 WATR 256  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1302 WATR 256  HOH  HT      1   4.17000000e-01 1.00800           0
-    1303 WATR 256  HOH  HT      1   4.17000000e-01 1.00800           0
-    1304 WATR 257  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1305 WATR 257  HOH  HT      1   4.17000000e-01 1.00800           0
-    1306 WATR 257  HOH  HT      1   4.17000000e-01 1.00800           0
-    1307 WATR 258  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1308 WATR 258  HOH  HT      1   4.17000000e-01 1.00800           0
-    1309 WATR 258  HOH  HT      1   4.17000000e-01 1.00800           0
-    1310 WATR 259  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1311 WATR 259  HOH  HT      1   4.17000000e-01 1.00800           0
-    1312 WATR 259  HOH  HT      1   4.17000000e-01 1.00800           0
-    1313 WATR 260  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1314 WATR 260  HOH  HT      1   4.17000000e-01 1.00800           0
-    1315 WATR 260  HOH  HT      1   4.17000000e-01 1.00800           0
-    1316 WATR 261  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1317 WATR 261  HOH  HT      1   4.17000000e-01 1.00800           0
-    1318 WATR 261  HOH  HT      1   4.17000000e-01 1.00800           0
-    1319 WATR 262  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1320 WATR 262  HOH  HT      1   4.17000000e-01 1.00800           0
-    1321 WATR 262  HOH  HT      1   4.17000000e-01 1.00800           0
-    1322 WATR 263  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1323 WATR 263  HOH  HT      1   4.17000000e-01 1.00800           0
-    1324 WATR 263  HOH  HT      1   4.17000000e-01 1.00800           0
-    1325 WATR 264  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1326 WATR 264  HOH  HT      1   4.17000000e-01 1.00800           0
-    1327 WATR 264  HOH  HT      1   4.17000000e-01 1.00800           0
-    1328 WATR 265  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1329 WATR 265  HOH  HT      1   4.17000000e-01 1.00800           0
-    1330 WATR 265  HOH  HT      1   4.17000000e-01 1.00800           0
-    1331 WATR 266  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1332 WATR 266  HOH  HT      1   4.17000000e-01 1.00800           0
-    1333 WATR 266  HOH  HT      1   4.17000000e-01 1.00800           0
-    1334 WATR 267  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1335 WATR 267  HOH  HT      1   4.17000000e-01 1.00800           0
-    1336 WATR 267  HOH  HT      1   4.17000000e-01 1.00800           0
-    1337 WATR 268  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1338 WATR 268  HOH  HT      1   4.17000000e-01 1.00800           0
-    1339 WATR 268  HOH  HT      1   4.17000000e-01 1.00800           0
-    1340 WATR 269  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1341 WATR 269  HOH  HT      1   4.17000000e-01 1.00800           0
-    1342 WATR 269  HOH  HT      1   4.17000000e-01 1.00800           0
-    1343 WATR 270  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1344 WATR 270  HOH  HT      1   4.17000000e-01 1.00800           0
-    1345 WATR 270  HOH  HT      1   4.17000000e-01 1.00800           0
-    1346 WATR 271  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1347 WATR 271  HOH  HT      1   4.17000000e-01 1.00800           0
-    1348 WATR 271  HOH  HT      1   4.17000000e-01 1.00800           0
-    1349 WATR 272  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1350 WATR 272  HOH  HT      1   4.17000000e-01 1.00800           0
-    1351 WATR 272  HOH  HT      1   4.17000000e-01 1.00800           0
-    1352 WATR 273  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1353 WATR 273  HOH  HT      1   4.17000000e-01 1.00800           0
-    1354 WATR 273  HOH  HT      1   4.17000000e-01 1.00800           0
-    1355 WATR 274  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1356 WATR 274  HOH  HT      1   4.17000000e-01 1.00800           0
-    1357 WATR 274  HOH  HT      1   4.17000000e-01 1.00800           0
-    1358 WATR 275  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1359 WATR 275  HOH  HT      1   4.17000000e-01 1.00800           0
-    1360 WATR 275  HOH  HT      1   4.17000000e-01 1.00800           0
-    1361 WATR 276  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1362 WATR 276  HOH  HT      1   4.17000000e-01 1.00800           0
-    1363 WATR 276  HOH  HT      1   4.17000000e-01 1.00800           0
-    1364 WATR 277  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1365 WATR 277  HOH  HT      1   4.17000000e-01 1.00800           0
-    1366 WATR 277  HOH  HT      1   4.17000000e-01 1.00800           0
-    1367 WATR 278  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1368 WATR 278  HOH  HT      1   4.17000000e-01 1.00800           0
-    1369 WATR 278  HOH  HT      1   4.17000000e-01 1.00800           0
-    1370 WATR 279  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1371 WATR 279  HOH  HT      1   4.17000000e-01 1.00800           0
-    1372 WATR 279  HOH  HT      1   4.17000000e-01 1.00800           0
-    1373 WATR 280  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1374 WATR 280  HOH  HT      1   4.17000000e-01 1.00800           0
-    1375 WATR 280  HOH  HT      1   4.17000000e-01 1.00800           0
-    1376 WATR 281  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1377 WATR 281  HOH  HT      1   4.17000000e-01 1.00800           0
-    1378 WATR 281  HOH  HT      1   4.17000000e-01 1.00800           0
-    1379 WATR 282  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1380 WATR 282  HOH  HT      1   4.17000000e-01 1.00800           0
-    1381 WATR 282  HOH  HT      1   4.17000000e-01 1.00800           0
-    1382 WATR 283  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1383 WATR 283  HOH  HT      1   4.17000000e-01 1.00800           0
-    1384 WATR 283  HOH  HT      1   4.17000000e-01 1.00800           0
-    1385 WATR 284  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1386 WATR 284  HOH  HT      1   4.17000000e-01 1.00800           0
-    1387 WATR 284  HOH  HT      1   4.17000000e-01 1.00800           0
-    1388 WATR 285  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1389 WATR 285  HOH  HT      1   4.17000000e-01 1.00800           0
-    1390 WATR 285  HOH  HT      1   4.17000000e-01 1.00800           0
-    1391 WATR 286  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1392 WATR 286  HOH  HT      1   4.17000000e-01 1.00800           0
-    1393 WATR 286  HOH  HT      1   4.17000000e-01 1.00800           0
-    1394 WATR 287  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1395 WATR 287  HOH  HT      1   4.17000000e-01 1.00800           0
-    1396 WATR 287  HOH  HT      1   4.17000000e-01 1.00800           0
-    1397 WATR 288  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1398 WATR 288  HOH  HT      1   4.17000000e-01 1.00800           0
-    1399 WATR 288  HOH  HT      1   4.17000000e-01 1.00800           0
-    1400 WATR 289  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1401 WATR 289  HOH  HT      1   4.17000000e-01 1.00800           0
-    1402 WATR 289  HOH  HT      1   4.17000000e-01 1.00800           0
-    1403 WATR 290  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1404 WATR 290  HOH  HT      1   4.17000000e-01 1.00800           0
-    1405 WATR 290  HOH  HT      1   4.17000000e-01 1.00800           0
-    1406 WATR 291  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1407 WATR 291  HOH  HT      1   4.17000000e-01 1.00800           0
-    1408 WATR 291  HOH  HT      1   4.17000000e-01 1.00800           0
-    1409 WATR 292  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1410 WATR 292  HOH  HT      1   4.17000000e-01 1.00800           0
-    1411 WATR 292  HOH  HT      1   4.17000000e-01 1.00800           0
-    1412 WATR 293  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1413 WATR 293  HOH  HT      1   4.17000000e-01 1.00800           0
-    1414 WATR 293  HOH  HT      1   4.17000000e-01 1.00800           0
-    1415 WATR 294  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1416 WATR 294  HOH  HT      1   4.17000000e-01 1.00800           0
-    1417 WATR 294  HOH  HT      1   4.17000000e-01 1.00800           0
-    1418 WATR 295  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1419 WATR 295  HOH  HT      1   4.17000000e-01 1.00800           0
-    1420 WATR 295  HOH  HT      1   4.17000000e-01 1.00800           0
-    1421 WATR 296  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1422 WATR 296  HOH  HT      1   4.17000000e-01 1.00800           0
-    1423 WATR 296  HOH  HT      1   4.17000000e-01 1.00800           0
-    1424 WATR 297  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1425 WATR 297  HOH  HT      1   4.17000000e-01 1.00800           0
-    1426 WATR 297  HOH  HT      1   4.17000000e-01 1.00800           0
-    1427 WATR 298  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1428 WATR 298  HOH  HT      1   4.17000000e-01 1.00800           0
-    1429 WATR 298  HOH  HT      1   4.17000000e-01 1.00800           0
-    1430 WATR 299  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1431 WATR 299  HOH  HT      1   4.17000000e-01 1.00800           0
-    1432 WATR 299  HOH  HT      1   4.17000000e-01 1.00800           0
-    1433 WATR 300  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1434 WATR 300  HOH  HT      1   4.17000000e-01 1.00800           0
-    1435 WATR 300  HOH  HT      1   4.17000000e-01 1.00800           0
-    1436 WATR 301  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1437 WATR 301  HOH  HT      1   4.17000000e-01 1.00800           0
-    1438 WATR 301  HOH  HT      1   4.17000000e-01 1.00800           0
-    1439 WATR 302  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1440 WATR 302  HOH  HT      1   4.17000000e-01 1.00800           0
-    1441 WATR 302  HOH  HT      1   4.17000000e-01 1.00800           0
-    1442 WATR 303  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1443 WATR 303  HOH  HT      1   4.17000000e-01 1.00800           0
-    1444 WATR 303  HOH  HT      1   4.17000000e-01 1.00800           0
-    1445 WATR 304  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1446 WATR 304  HOH  HT      1   4.17000000e-01 1.00800           0
-    1447 WATR 304  HOH  HT      1   4.17000000e-01 1.00800           0
-    1448 WATR 305  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1449 WATR 305  HOH  HT      1   4.17000000e-01 1.00800           0
-    1450 WATR 305  HOH  HT      1   4.17000000e-01 1.00800           0
-    1451 WATR 306  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1452 WATR 306  HOH  HT      1   4.17000000e-01 1.00800           0
-    1453 WATR 306  HOH  HT      1   4.17000000e-01 1.00800           0
-    1454 WATR 307  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1455 WATR 307  HOH  HT      1   4.17000000e-01 1.00800           0
-    1456 WATR 307  HOH  HT      1   4.17000000e-01 1.00800           0
-    1457 WATR 308  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1458 WATR 308  HOH  HT      1   4.17000000e-01 1.00800           0
-    1459 WATR 308  HOH  HT      1   4.17000000e-01 1.00800           0
-    1460 WATR 309  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1461 WATR 309  HOH  HT      1   4.17000000e-01 1.00800           0
-    1462 WATR 309  HOH  HT      1   4.17000000e-01 1.00800           0
-    1463 WATR 310  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1464 WATR 310  HOH  HT      1   4.17000000e-01 1.00800           0
-    1465 WATR 310  HOH  HT      1   4.17000000e-01 1.00800           0
-    1466 WATR 311  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1467 WATR 311  HOH  HT      1   4.17000000e-01 1.00800           0
-    1468 WATR 311  HOH  HT      1   4.17000000e-01 1.00800           0
-    1469 SALT 9    ION  SOD    90   1.00000000e+00 22.9897           0
-    1470 WATR 312  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1471 WATR 312  HOH  HT      1   4.17000000e-01 1.00800           0
-    1472 WATR 312  HOH  HT      1   4.17000000e-01 1.00800           0
-    1473 WATR 313  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1474 WATR 313  HOH  HT      1   4.17000000e-01 1.00800           0
-    1475 WATR 313  HOH  HT      1   4.17000000e-01 1.00800           0
-    1476 WATR 314  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1477 WATR 314  HOH  HT      1   4.17000000e-01 1.00800           0
-    1478 WATR 314  HOH  HT      1   4.17000000e-01 1.00800           0
-    1479 WATR 315  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1480 WATR 315  HOH  HT      1   4.17000000e-01 1.00800           0
-    1481 WATR 315  HOH  HT      1   4.17000000e-01 1.00800           0
-    1482 WATR 316  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1483 WATR 316  HOH  HT      1   4.17000000e-01 1.00800           0
-    1484 WATR 316  HOH  HT      1   4.17000000e-01 1.00800           0
-    1485 WATR 317  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1486 WATR 317  HOH  HT      1   4.17000000e-01 1.00800           0
-    1487 WATR 317  HOH  HT      1   4.17000000e-01 1.00800           0
-    1488 WATR 318  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1489 WATR 318  HOH  HT      1   4.17000000e-01 1.00800           0
-    1490 WATR 318  HOH  HT      1   4.17000000e-01 1.00800           0
-    1491 WATR 319  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1492 WATR 319  HOH  HT      1   4.17000000e-01 1.00800           0
-    1493 WATR 319  HOH  HT      1   4.17000000e-01 1.00800           0
-    1494 WATR 320  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1495 WATR 320  HOH  HT      1   4.17000000e-01 1.00800           0
-    1496 WATR 320  HOH  HT      1   4.17000000e-01 1.00800           0
-    1497 WATR 321  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1498 WATR 321  HOH  HT      1   4.17000000e-01 1.00800           0
-    1499 WATR 321  HOH  HT      1   4.17000000e-01 1.00800           0
-    1500 WATR 322  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1501 WATR 322  HOH  HT      1   4.17000000e-01 1.00800           0
-    1502 WATR 322  HOH  HT      1   4.17000000e-01 1.00800           0
-    1503 WATR 323  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1504 WATR 323  HOH  HT      1   4.17000000e-01 1.00800           0
-    1505 WATR 323  HOH  HT      1   4.17000000e-01 1.00800           0
-    1506 WATR 324  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1507 WATR 324  HOH  HT      1   4.17000000e-01 1.00800           0
-    1508 WATR 324  HOH  HT      1   4.17000000e-01 1.00800           0
-    1509 WATR 325  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1510 WATR 325  HOH  HT      1   4.17000000e-01 1.00800           0
-    1511 WATR 325  HOH  HT      1   4.17000000e-01 1.00800           0
-    1512 WATR 326  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1513 WATR 326  HOH  HT      1   4.17000000e-01 1.00800           0
-    1514 WATR 326  HOH  HT      1   4.17000000e-01 1.00800           0
-    1515 WATR 327  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1516 WATR 327  HOH  HT      1   4.17000000e-01 1.00800           0
-    1517 WATR 327  HOH  HT      1   4.17000000e-01 1.00800           0
-    1518 WATR 328  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1519 WATR 328  HOH  HT      1   4.17000000e-01 1.00800           0
-    1520 WATR 328  HOH  HT      1   4.17000000e-01 1.00800           0
-    1521 WATR 329  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1522 WATR 329  HOH  HT      1   4.17000000e-01 1.00800           0
-    1523 WATR 329  HOH  HT      1   4.17000000e-01 1.00800           0
-    1524 WATR 330  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1525 WATR 330  HOH  HT      1   4.17000000e-01 1.00800           0
-    1526 WATR 330  HOH  HT      1   4.17000000e-01 1.00800           0
-    1527 WATR 331  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1528 WATR 331  HOH  HT      1   4.17000000e-01 1.00800           0
-    1529 WATR 331  HOH  HT      1   4.17000000e-01 1.00800           0
-    1530 WATR 332  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1531 WATR 332  HOH  HT      1   4.17000000e-01 1.00800           0
-    1532 WATR 332  HOH  HT      1   4.17000000e-01 1.00800           0
-    1533 WATR 333  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1534 WATR 333  HOH  HT      1   4.17000000e-01 1.00800           0
-    1535 WATR 333  HOH  HT      1   4.17000000e-01 1.00800           0
-    1536 WATR 334  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1537 WATR 334  HOH  HT      1   4.17000000e-01 1.00800           0
-    1538 WATR 334  HOH  HT      1   4.17000000e-01 1.00800           0
-    1539 WATR 335  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1540 WATR 335  HOH  HT      1   4.17000000e-01 1.00800           0
-    1541 WATR 335  HOH  HT      1   4.17000000e-01 1.00800           0
-    1542 WATR 336  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1543 WATR 336  HOH  HT      1   4.17000000e-01 1.00800           0
-    1544 WATR 336  HOH  HT      1   4.17000000e-01 1.00800           0
-    1545 WATR 337  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1546 WATR 337  HOH  HT      1   4.17000000e-01 1.00800           0
-    1547 WATR 337  HOH  HT      1   4.17000000e-01 1.00800           0
-    1548 WATR 338  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1549 WATR 338  HOH  HT      1   4.17000000e-01 1.00800           0
-    1550 WATR 338  HOH  HT      1   4.17000000e-01 1.00800           0
-    1551 WATR 339  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1552 WATR 339  HOH  HT      1   4.17000000e-01 1.00800           0
-    1553 WATR 339  HOH  HT      1   4.17000000e-01 1.00800           0
-    1554 WATR 340  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1555 WATR 340  HOH  HT      1   4.17000000e-01 1.00800           0
-    1556 WATR 340  HOH  HT      1   4.17000000e-01 1.00800           0
-    1557 WATR 341  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1558 WATR 341  HOH  HT      1   4.17000000e-01 1.00800           0
-    1559 WATR 341  HOH  HT      1   4.17000000e-01 1.00800           0
-    1560 WATR 342  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1561 WATR 342  HOH  HT      1   4.17000000e-01 1.00800           0
-    1562 WATR 342  HOH  HT      1   4.17000000e-01 1.00800           0
-    1563 WATR 343  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1564 WATR 343  HOH  HT      1   4.17000000e-01 1.00800           0
-    1565 WATR 343  HOH  HT      1   4.17000000e-01 1.00800           0
-    1566 WATR 344  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1567 WATR 344  HOH  HT      1   4.17000000e-01 1.00800           0
-    1568 WATR 344  HOH  HT      1   4.17000000e-01 1.00800           0
-    1569 WATR 345  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1570 WATR 345  HOH  HT      1   4.17000000e-01 1.00800           0
-    1571 WATR 345  HOH  HT      1   4.17000000e-01 1.00800           0
-    1572 WATR 346  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1573 WATR 346  HOH  HT      1   4.17000000e-01 1.00800           0
-    1574 WATR 346  HOH  HT      1   4.17000000e-01 1.00800           0
-    1575 WATR 347  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1576 WATR 347  HOH  HT      1   4.17000000e-01 1.00800           0
-    1577 WATR 347  HOH  HT      1   4.17000000e-01 1.00800           0
-    1578 WATR 348  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1579 WATR 348  HOH  HT      1   4.17000000e-01 1.00800           0
-    1580 WATR 348  HOH  HT      1   4.17000000e-01 1.00800           0
-    1581 WATR 349  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1582 WATR 349  HOH  HT      1   4.17000000e-01 1.00800           0
-    1583 WATR 349  HOH  HT      1   4.17000000e-01 1.00800           0
-    1584 WATR 350  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1585 WATR 350  HOH  HT      1   4.17000000e-01 1.00800           0
-    1586 WATR 350  HOH  HT      1   4.17000000e-01 1.00800           0
-    1587 WATR 351  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1588 WATR 351  HOH  HT      1   4.17000000e-01 1.00800           0
-    1589 WATR 351  HOH  HT      1   4.17000000e-01 1.00800           0
-    1590 WATR 352  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1591 WATR 352  HOH  HT      1   4.17000000e-01 1.00800           0
-    1592 WATR 352  HOH  HT      1   4.17000000e-01 1.00800           0
-    1593 WATR 353  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1594 WATR 353  HOH  HT      1   4.17000000e-01 1.00800           0
-    1595 WATR 353  HOH  HT      1   4.17000000e-01 1.00800           0
-    1596 WATR 354  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1597 WATR 354  HOH  HT      1   4.17000000e-01 1.00800           0
-    1598 WATR 354  HOH  HT      1   4.17000000e-01 1.00800           0
-    1599 WATR 355  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1600 WATR 355  HOH  HT      1   4.17000000e-01 1.00800           0
-    1601 WATR 355  HOH  HT      1   4.17000000e-01 1.00800           0
-    1602 WATR 356  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1603 WATR 356  HOH  HT      1   4.17000000e-01 1.00800           0
-    1604 WATR 356  HOH  HT      1   4.17000000e-01 1.00800           0
-    1605 WATR 357  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1606 WATR 357  HOH  HT      1   4.17000000e-01 1.00800           0
-    1607 WATR 357  HOH  HT      1   4.17000000e-01 1.00800           0
-    1608 WATR 358  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1609 WATR 358  HOH  HT      1   4.17000000e-01 1.00800           0
-    1610 WATR 358  HOH  HT      1   4.17000000e-01 1.00800           0
-    1611 WATR 359  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1612 WATR 359  HOH  HT      1   4.17000000e-01 1.00800           0
-    1613 WATR 359  HOH  HT      1   4.17000000e-01 1.00800           0
-    1614 WATR 360  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1615 WATR 360  HOH  HT      1   4.17000000e-01 1.00800           0
-    1616 WATR 360  HOH  HT      1   4.17000000e-01 1.00800           0
-    1617 WATR 361  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1618 WATR 361  HOH  HT      1   4.17000000e-01 1.00800           0
-    1619 WATR 361  HOH  HT      1   4.17000000e-01 1.00800           0
-    1620 WATR 362  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1621 WATR 362  HOH  HT      1   4.17000000e-01 1.00800           0
-    1622 WATR 362  HOH  HT      1   4.17000000e-01 1.00800           0
-    1623 WATR 363  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1624 WATR 363  HOH  HT      1   4.17000000e-01 1.00800           0
-    1625 WATR 363  HOH  HT      1   4.17000000e-01 1.00800           0
-    1626 WATR 364  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1627 WATR 364  HOH  HT      1   4.17000000e-01 1.00800           0
-    1628 WATR 364  HOH  HT      1   4.17000000e-01 1.00800           0
-    1629 WATR 365  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1630 WATR 365  HOH  HT      1   4.17000000e-01 1.00800           0
-    1631 WATR 365  HOH  HT      1   4.17000000e-01 1.00800           0
-    1632 WATR 366  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1633 WATR 366  HOH  HT      1   4.17000000e-01 1.00800           0
-    1634 WATR 366  HOH  HT      1   4.17000000e-01 1.00800           0
-    1635 WATR 367  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1636 WATR 367  HOH  HT      1   4.17000000e-01 1.00800           0
-    1637 WATR 367  HOH  HT      1   4.17000000e-01 1.00800           0
-    1638 WATR 368  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1639 WATR 368  HOH  HT      1   4.17000000e-01 1.00800           0
-    1640 WATR 368  HOH  HT      1   4.17000000e-01 1.00800           0
-    1641 WATR 369  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1642 WATR 369  HOH  HT      1   4.17000000e-01 1.00800           0
-    1643 WATR 369  HOH  HT      1   4.17000000e-01 1.00800           0
-    1644 WATR 370  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1645 WATR 370  HOH  HT      1   4.17000000e-01 1.00800           0
-    1646 WATR 370  HOH  HT      1   4.17000000e-01 1.00800           0
-    1647 WATR 371  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1648 WATR 371  HOH  HT      1   4.17000000e-01 1.00800           0
-    1649 WATR 371  HOH  HT      1   4.17000000e-01 1.00800           0
-    1650 WATR 372  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1651 WATR 372  HOH  HT      1   4.17000000e-01 1.00800           0
-    1652 WATR 372  HOH  HT      1   4.17000000e-01 1.00800           0
-    1653 WATR 373  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1654 WATR 373  HOH  HT      1   4.17000000e-01 1.00800           0
-    1655 WATR 373  HOH  HT      1   4.17000000e-01 1.00800           0
-    1656 WATR 374  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1657 WATR 374  HOH  HT      1   4.17000000e-01 1.00800           0
-    1658 WATR 374  HOH  HT      1   4.17000000e-01 1.00800           0
-    1659 WATR 375  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1660 WATR 375  HOH  HT      1   4.17000000e-01 1.00800           0
-    1661 WATR 375  HOH  HT      1   4.17000000e-01 1.00800           0
-    1662 WATR 376  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1663 WATR 376  HOH  HT      1   4.17000000e-01 1.00800           0
-    1664 WATR 376  HOH  HT      1   4.17000000e-01 1.00800           0
-    1665 WATR 377  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1666 WATR 377  HOH  HT      1   4.17000000e-01 1.00800           0
-    1667 WATR 377  HOH  HT      1   4.17000000e-01 1.00800           0
-    1668 WATR 378  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1669 WATR 378  HOH  HT      1   4.17000000e-01 1.00800           0
-    1670 WATR 378  HOH  HT      1   4.17000000e-01 1.00800           0
-    1671 WATR 379  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1672 WATR 379  HOH  HT      1   4.17000000e-01 1.00800           0
-    1673 WATR 379  HOH  HT      1   4.17000000e-01 1.00800           0
-    1674 WATR 380  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1675 WATR 380  HOH  HT      1   4.17000000e-01 1.00800           0
-    1676 WATR 380  HOH  HT      1   4.17000000e-01 1.00800           0
-    1677 WATR 381  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1678 WATR 381  HOH  HT      1   4.17000000e-01 1.00800           0
-    1679 WATR 381  HOH  HT      1   4.17000000e-01 1.00800           0
-    1680 WATR 382  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1681 WATR 382  HOH  HT      1   4.17000000e-01 1.00800           0
-    1682 WATR 382  HOH  HT      1   4.17000000e-01 1.00800           0
-    1683 WATR 383  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1684 WATR 383  HOH  HT      1   4.17000000e-01 1.00800           0
-    1685 WATR 383  HOH  HT      1   4.17000000e-01 1.00800           0
-    1686 WATR 384  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1687 WATR 384  HOH  HT      1   4.17000000e-01 1.00800           0
-    1688 WATR 384  HOH  HT      1   4.17000000e-01 1.00800           0
-    1689 WATR 385  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1690 WATR 385  HOH  HT      1   4.17000000e-01 1.00800           0
-    1691 WATR 385  HOH  HT      1   4.17000000e-01 1.00800           0
-    1692 WATR 386  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1693 WATR 386  HOH  HT      1   4.17000000e-01 1.00800           0
-    1694 WATR 386  HOH  HT      1   4.17000000e-01 1.00800           0
-    1695 WATR 387  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1696 WATR 387  HOH  HT      1   4.17000000e-01 1.00800           0
-    1697 WATR 387  HOH  HT      1   4.17000000e-01 1.00800           0
-    1698 WATR 388  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1699 WATR 388  HOH  HT      1   4.17000000e-01 1.00800           0
-    1700 WATR 388  HOH  HT      1   4.17000000e-01 1.00800           0
-    1701 WATR 389  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1702 WATR 389  HOH  HT      1   4.17000000e-01 1.00800           0
-    1703 WATR 389  HOH  HT      1   4.17000000e-01 1.00800           0
-    1704 WATR 390  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1705 WATR 390  HOH  HT      1   4.17000000e-01 1.00800           0
-    1706 WATR 390  HOH  HT      1   4.17000000e-01 1.00800           0
-    1707 WATR 391  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1708 WATR 391  HOH  HT      1   4.17000000e-01 1.00800           0
-    1709 WATR 391  HOH  HT      1   4.17000000e-01 1.00800           0
-    1710 WATR 392  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1711 WATR 392  HOH  HT      1   4.17000000e-01 1.00800           0
-    1712 WATR 392  HOH  HT      1   4.17000000e-01 1.00800           0
-    1713 WATR 393  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1714 WATR 393  HOH  HT      1   4.17000000e-01 1.00800           0
-    1715 WATR 393  HOH  HT      1   4.17000000e-01 1.00800           0
-    1716 WATR 394  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1717 WATR 394  HOH  HT      1   4.17000000e-01 1.00800           0
-    1718 WATR 394  HOH  HT      1   4.17000000e-01 1.00800           0
-    1719 WATR 395  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1720 WATR 395  HOH  HT      1   4.17000000e-01 1.00800           0
-    1721 WATR 395  HOH  HT      1   4.17000000e-01 1.00800           0
-    1722 SALT 10   ION  SOD    90   1.00000000e+00 22.9897           0
-    1723 WATR 396  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1724 WATR 396  HOH  HT      1   4.17000000e-01 1.00800           0
-    1725 WATR 396  HOH  HT      1   4.17000000e-01 1.00800           0
-    1726 WATR 397  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1727 WATR 397  HOH  HT      1   4.17000000e-01 1.00800           0
-    1728 WATR 397  HOH  HT      1   4.17000000e-01 1.00800           0
-    1729 WATR 398  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1730 WATR 398  HOH  HT      1   4.17000000e-01 1.00800           0
-    1731 WATR 398  HOH  HT      1   4.17000000e-01 1.00800           0
-    1732 WATR 399  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1733 WATR 399  HOH  HT      1   4.17000000e-01 1.00800           0
-    1734 WATR 399  HOH  HT      1   4.17000000e-01 1.00800           0
-    1735 WATR 400  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1736 WATR 400  HOH  HT      1   4.17000000e-01 1.00800           0
-    1737 WATR 400  HOH  HT      1   4.17000000e-01 1.00800           0
-    1738 WATR 401  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1739 WATR 401  HOH  HT      1   4.17000000e-01 1.00800           0
-    1740 WATR 401  HOH  HT      1   4.17000000e-01 1.00800           0
-    1741 WATR 402  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1742 WATR 402  HOH  HT      1   4.17000000e-01 1.00800           0
-    1743 WATR 402  HOH  HT      1   4.17000000e-01 1.00800           0
-    1744 WATR 403  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1745 WATR 403  HOH  HT      1   4.17000000e-01 1.00800           0
-    1746 WATR 403  HOH  HT      1   4.17000000e-01 1.00800           0
-    1747 WATR 404  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1748 WATR 404  HOH  HT      1   4.17000000e-01 1.00800           0
-    1749 WATR 404  HOH  HT      1   4.17000000e-01 1.00800           0
-    1750 WATR 405  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1751 WATR 405  HOH  HT      1   4.17000000e-01 1.00800           0
-    1752 WATR 405  HOH  HT      1   4.17000000e-01 1.00800           0
-    1753 WATR 406  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1754 WATR 406  HOH  HT      1   4.17000000e-01 1.00800           0
-    1755 WATR 406  HOH  HT      1   4.17000000e-01 1.00800           0
-    1756 WATR 407  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1757 WATR 407  HOH  HT      1   4.17000000e-01 1.00800           0
-    1758 WATR 407  HOH  HT      1   4.17000000e-01 1.00800           0
-    1759 WATR 408  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1760 WATR 408  HOH  HT      1   4.17000000e-01 1.00800           0
-    1761 WATR 408  HOH  HT      1   4.17000000e-01 1.00800           0
-    1762 WATR 409  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1763 WATR 409  HOH  HT      1   4.17000000e-01 1.00800           0
-    1764 WATR 409  HOH  HT      1   4.17000000e-01 1.00800           0
-    1765 WATR 410  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1766 WATR 410  HOH  HT      1   4.17000000e-01 1.00800           0
-    1767 WATR 410  HOH  HT      1   4.17000000e-01 1.00800           0
-    1768 WATR 411  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1769 WATR 411  HOH  HT      1   4.17000000e-01 1.00800           0
-    1770 WATR 411  HOH  HT      1   4.17000000e-01 1.00800           0
-    1771 WATR 412  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1772 WATR 412  HOH  HT      1   4.17000000e-01 1.00800           0
-    1773 WATR 412  HOH  HT      1   4.17000000e-01 1.00800           0
-    1774 WATR 413  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1775 WATR 413  HOH  HT      1   4.17000000e-01 1.00800           0
-    1776 WATR 413  HOH  HT      1   4.17000000e-01 1.00800           0
-    1777 WATR 414  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1778 WATR 414  HOH  HT      1   4.17000000e-01 1.00800           0
-    1779 WATR 414  HOH  HT      1   4.17000000e-01 1.00800           0
-    1780 WATR 415  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1781 WATR 415  HOH  HT      1   4.17000000e-01 1.00800           0
-    1782 WATR 415  HOH  HT      1   4.17000000e-01 1.00800           0
-    1783 SALT 11   ION  SOD    90   1.00000000e+00 22.9897           0
-    1784 WATR 416  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1785 WATR 416  HOH  HT      1   4.17000000e-01 1.00800           0
-    1786 WATR 416  HOH  HT      1   4.17000000e-01 1.00800           0
-    1787 WATR 417  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1788 WATR 417  HOH  HT      1   4.17000000e-01 1.00800           0
-    1789 WATR 417  HOH  HT      1   4.17000000e-01 1.00800           0
-    1790 WATR 418  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1791 WATR 418  HOH  HT      1   4.17000000e-01 1.00800           0
-    1792 WATR 418  HOH  HT      1   4.17000000e-01 1.00800           0
-    1793 WATR 419  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1794 WATR 419  HOH  HT      1   4.17000000e-01 1.00800           0
-    1795 WATR 419  HOH  HT      1   4.17000000e-01 1.00800           0
-    1796 WATR 420  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1797 WATR 420  HOH  HT      1   4.17000000e-01 1.00800           0
-    1798 WATR 420  HOH  HT      1   4.17000000e-01 1.00800           0
-    1799 WATR 421  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1800 WATR 421  HOH  HT      1   4.17000000e-01 1.00800           0
-    1801 WATR 421  HOH  HT      1   4.17000000e-01 1.00800           0
-    1802 WATR 422  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1803 WATR 422  HOH  HT      1   4.17000000e-01 1.00800           0
-    1804 WATR 422  HOH  HT      1   4.17000000e-01 1.00800           0
-    1805 WATR 423  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1806 WATR 423  HOH  HT      1   4.17000000e-01 1.00800           0
-    1807 WATR 423  HOH  HT      1   4.17000000e-01 1.00800           0
-    1808 WATR 424  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1809 WATR 424  HOH  HT      1   4.17000000e-01 1.00800           0
-    1810 WATR 424  HOH  HT      1   4.17000000e-01 1.00800           0
-    1811 SALT 12   ION  SOD    90   1.00000000e+00 22.9897           0
-    1812 WATR 425  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1813 WATR 425  HOH  HT      1   4.17000000e-01 1.00800           0
-    1814 WATR 425  HOH  HT      1   4.17000000e-01 1.00800           0
-    1815 WATR 426  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1816 WATR 426  HOH  HT      1   4.17000000e-01 1.00800           0
-    1817 WATR 426  HOH  HT      1   4.17000000e-01 1.00800           0
-    1818 WATR 427  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1819 WATR 427  HOH  HT      1   4.17000000e-01 1.00800           0
-    1820 WATR 427  HOH  HT      1   4.17000000e-01 1.00800           0
-    1821 WATR 428  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1822 WATR 428  HOH  HT      1   4.17000000e-01 1.00800           0
-    1823 WATR 428  HOH  HT      1   4.17000000e-01 1.00800           0
-    1824 WATR 429  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1825 WATR 429  HOH  HT      1   4.17000000e-01 1.00800           0
-    1826 WATR 429  HOH  HT      1   4.17000000e-01 1.00800           0
-    1827 WATR 430  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1828 WATR 430  HOH  HT      1   4.17000000e-01 1.00800           0
-    1829 WATR 430  HOH  HT      1   4.17000000e-01 1.00800           0
-    1830 WATR 431  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1831 WATR 431  HOH  HT      1   4.17000000e-01 1.00800           0
-    1832 WATR 431  HOH  HT      1   4.17000000e-01 1.00800           0
-    1833 WATR 432  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1834 WATR 432  HOH  HT      1   4.17000000e-01 1.00800           0
-    1835 WATR 432  HOH  HT      1   4.17000000e-01 1.00800           0
-    1836 WATR 433  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1837 WATR 433  HOH  HT      1   4.17000000e-01 1.00800           0
-    1838 WATR 433  HOH  HT      1   4.17000000e-01 1.00800           0
-    1839 WATR 434  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1840 WATR 434  HOH  HT      1   4.17000000e-01 1.00800           0
-    1841 WATR 434  HOH  HT      1   4.17000000e-01 1.00800           0
-    1842 WATR 435  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1843 WATR 435  HOH  HT      1   4.17000000e-01 1.00800           0
-    1844 WATR 435  HOH  HT      1   4.17000000e-01 1.00800           0
-    1845 SALT 13   ION  SOD    90   1.00000000e+00 22.9897           0
-    1846 WATR 436  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1847 WATR 436  HOH  HT      1   4.17000000e-01 1.00800           0
-    1848 WATR 436  HOH  HT      1   4.17000000e-01 1.00800           0
-    1849 WATR 437  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1850 WATR 437  HOH  HT      1   4.17000000e-01 1.00800           0
-    1851 WATR 437  HOH  HT      1   4.17000000e-01 1.00800           0
-    1852 WATR 438  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1853 WATR 438  HOH  HT      1   4.17000000e-01 1.00800           0
-    1854 WATR 438  HOH  HT      1   4.17000000e-01 1.00800           0
-    1855 WATR 439  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1856 WATR 439  HOH  HT      1   4.17000000e-01 1.00800           0
-    1857 WATR 439  HOH  HT      1   4.17000000e-01 1.00800           0
-    1858 WATR 440  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1859 WATR 440  HOH  HT      1   4.17000000e-01 1.00800           0
-    1860 WATR 440  HOH  HT      1   4.17000000e-01 1.00800           0
-    1861 WATR 441  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1862 WATR 441  HOH  HT      1   4.17000000e-01 1.00800           0
-    1863 WATR 441  HOH  HT      1   4.17000000e-01 1.00800           0
-    1864 WATR 442  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1865 WATR 442  HOH  HT      1   4.17000000e-01 1.00800           0
-    1866 WATR 442  HOH  HT      1   4.17000000e-01 1.00800           0
-    1867 WATR 443  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1868 WATR 443  HOH  HT      1   4.17000000e-01 1.00800           0
-    1869 WATR 443  HOH  HT      1   4.17000000e-01 1.00800           0
-    1870 WATR 444  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1871 WATR 444  HOH  HT      1   4.17000000e-01 1.00800           0
-    1872 WATR 444  HOH  HT      1   4.17000000e-01 1.00800           0
-    1873 WATR 445  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1874 WATR 445  HOH  HT      1   4.17000000e-01 1.00800           0
-    1875 WATR 445  HOH  HT      1   4.17000000e-01 1.00800           0
-    1876 WATR 446  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1877 WATR 446  HOH  HT      1   4.17000000e-01 1.00800           0
-    1878 WATR 446  HOH  HT      1   4.17000000e-01 1.00800           0
-    1879 WATR 447  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1880 WATR 447  HOH  HT      1   4.17000000e-01 1.00800           0
-    1881 WATR 447  HOH  HT      1   4.17000000e-01 1.00800           0
-    1882 WATR 448  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1883 WATR 448  HOH  HT      1   4.17000000e-01 1.00800           0
-    1884 WATR 448  HOH  HT      1   4.17000000e-01 1.00800           0
-    1885 WATR 449  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1886 WATR 449  HOH  HT      1   4.17000000e-01 1.00800           0
-    1887 WATR 449  HOH  HT      1   4.17000000e-01 1.00800           0
-    1888 WATR 450  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1889 WATR 450  HOH  HT      1   4.17000000e-01 1.00800           0
-    1890 WATR 450  HOH  HT      1   4.17000000e-01 1.00800           0
-    1891 WATR 451  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1892 WATR 451  HOH  HT      1   4.17000000e-01 1.00800           0
-    1893 WATR 451  HOH  HT      1   4.17000000e-01 1.00800           0
-    1894 WATR 452  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1895 WATR 452  HOH  HT      1   4.17000000e-01 1.00800           0
-    1896 WATR 452  HOH  HT      1   4.17000000e-01 1.00800           0
-    1897 WATR 453  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1898 WATR 453  HOH  HT      1   4.17000000e-01 1.00800           0
-    1899 WATR 453  HOH  HT      1   4.17000000e-01 1.00800           0
-    1900 WATR 454  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1901 WATR 454  HOH  HT      1   4.17000000e-01 1.00800           0
-    1902 WATR 454  HOH  HT      1   4.17000000e-01 1.00800           0
-    1903 WATR 455  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1904 WATR 455  HOH  HT      1   4.17000000e-01 1.00800           0
-    1905 WATR 455  HOH  HT      1   4.17000000e-01 1.00800           0
-    1906 WATR 456  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1907 WATR 456  HOH  HT      1   4.17000000e-01 1.00800           0
-    1908 WATR 456  HOH  HT      1   4.17000000e-01 1.00800           0
-    1909 WATR 457  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1910 WATR 457  HOH  HT      1   4.17000000e-01 1.00800           0
-    1911 WATR 457  HOH  HT      1   4.17000000e-01 1.00800           0
-    1912 WATR 458  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1913 WATR 458  HOH  HT      1   4.17000000e-01 1.00800           0
-    1914 WATR 458  HOH  HT      1   4.17000000e-01 1.00800           0
-    1915 SALT 14   ION  SOD    90   1.00000000e+00 22.9897           0
-    1916 WATR 459  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1917 WATR 459  HOH  HT      1   4.17000000e-01 1.00800           0
-    1918 WATR 459  HOH  HT      1   4.17000000e-01 1.00800           0
-    1919 WATR 460  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1920 WATR 460  HOH  HT      1   4.17000000e-01 1.00800           0
-    1921 WATR 460  HOH  HT      1   4.17000000e-01 1.00800           0
-    1922 WATR 461  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1923 WATR 461  HOH  HT      1   4.17000000e-01 1.00800           0
-    1924 WATR 461  HOH  HT      1   4.17000000e-01 1.00800           0
-    1925 WATR 462  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1926 WATR 462  HOH  HT      1   4.17000000e-01 1.00800           0
-    1927 WATR 462  HOH  HT      1   4.17000000e-01 1.00800           0
-    1928 WATR 463  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1929 WATR 463  HOH  HT      1   4.17000000e-01 1.00800           0
-    1930 WATR 463  HOH  HT      1   4.17000000e-01 1.00800           0
-    1931 WATR 464  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1932 WATR 464  HOH  HT      1   4.17000000e-01 1.00800           0
-    1933 WATR 464  HOH  HT      1   4.17000000e-01 1.00800           0
-    1934 SALT 15   ION  SOD    90   1.00000000e+00 22.9897           0
-    1935 WATR 465  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1936 WATR 465  HOH  HT      1   4.17000000e-01 1.00800           0
-    1937 WATR 465  HOH  HT      1   4.17000000e-01 1.00800           0
-    1938 WATR 466  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1939 WATR 466  HOH  HT      1   4.17000000e-01 1.00800           0
-    1940 WATR 466  HOH  HT      1   4.17000000e-01 1.00800           0
-    1941 WATR 467  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1942 WATR 467  HOH  HT      1   4.17000000e-01 1.00800           0
-    1943 WATR 467  HOH  HT      1   4.17000000e-01 1.00800           0
-    1944 WATR 468  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1945 WATR 468  HOH  HT      1   4.17000000e-01 1.00800           0
-    1946 WATR 468  HOH  HT      1   4.17000000e-01 1.00800           0
-    1947 WATR 469  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1948 WATR 469  HOH  HT      1   4.17000000e-01 1.00800           0
-    1949 WATR 469  HOH  HT      1   4.17000000e-01 1.00800           0
-    1950 WATR 470  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1951 WATR 470  HOH  HT      1   4.17000000e-01 1.00800           0
-    1952 WATR 470  HOH  HT      1   4.17000000e-01 1.00800           0
-    1953 WATR 471  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1954 WATR 471  HOH  HT      1   4.17000000e-01 1.00800           0
-    1955 WATR 471  HOH  HT      1   4.17000000e-01 1.00800           0
-    1956 WATR 472  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1957 WATR 472  HOH  HT      1   4.17000000e-01 1.00800           0
-    1958 WATR 472  HOH  HT      1   4.17000000e-01 1.00800           0
-    1959 WATR 473  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1960 WATR 473  HOH  HT      1   4.17000000e-01 1.00800           0
-    1961 WATR 473  HOH  HT      1   4.17000000e-01 1.00800           0
-    1962 WATR 474  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1963 WATR 474  HOH  HT      1   4.17000000e-01 1.00800           0
-    1964 WATR 474  HOH  HT      1   4.17000000e-01 1.00800           0
-    1965 SALT 16   ION  SOD    90   1.00000000e+00 22.9897           0
-    1966 WATR 475  HOH  OT     70  -8.34000000e-01 15.9994           0
-    1967 WATR 475  HOH  HT      1   4.17000000e-01 1.00800           0
-    1968 WATR 475  HOH  HT      1   4.17000000e-01 1.00800           0
-
-    1516 !NBOND: bonds
-       1       2       1       3       1       4       4       5
-       5       8       5       6       5       7       8      10
-       8      31       8       9      10      11      11      13
-      11      27      11      12      13      22      13      16
-      14      15      15      16      16      17      18      23
-      19      18      19      20      19      21      22      21
-      22      14      23      24      23      14      24      25
-      24      26      27      31      27      29      27      28
-      29      30      31      33      31      32      33      34
-      34      35      34      36      34      37      37      38
-      38      41      38      39      38      40      41      43
-      41      64      41      42      43      44      44      46
-      44      60      44      45      46      49      46      47
-      47      48      49      51      49      50      51      52
-      51      53      53      55      53      54      55      56
-      55      47      56      57      56      58      56      59
-      60      64      60      62      60      61      62      63
-      64      66      64      65      66      67      67      68
-      67      69      67      70      70      71      71      74
-      71      72      71      73      74      76      74      95
-      74      75      76      77      77      79      77      91
-      77      78      79      84      79      80      80      81
-      82      83      82      80      84      86      84      85
-      86      87      87      88      87      82      88      89
-      88      90      91      95      91      93      91      92
-      93      94      95      97      95      96      97      98
-      98      99      98     100      98     101     101     102
-     102     105     102     103     102     104     105     107
-     105     126     105     106     107     108     108     110
-     108     122     108     109     110     115     110     111
-     111     112     113     114     113     111     115     117
-     115     116     117     118     118     119     118     113
-     119     120     119     121     122     126     122     124
-     122     123     124     125     126     128     126     127
-     128     129     129     130     129     131     129     132
-     132     133     133     136     133     134     133     135
-     136     138     136     159     136     137     138     139
-     139     141     139     155     139     140     141     144
-     141     142     142     143     144     146     144     145
-     146     147     146     148     148     150     148     149
-     150     151     150     142     151     152     151     153
-     151     154     155     159     155     157     155     156
-     157     158     159     161     159     160     161     162
-     162     163     162     164     162     165     165     166
-     166     169     166     167     166     168     169     171
-     169     192     169     170     171     172     172     174
-     172     188     172     173     174     183     174     177
-     175     176     176     177     177     178     179     184
-     180     179     180     181     180     182     183     182
-     183     175     184     185     184     175     185     186
-     185     187     188     192     188     190     188     189
-     190     191     192     194     192     193     194     195
-     195     196     195     197     195     198     198     199
-     199     202     199     200     199     201     202     204
-     202     226     202     203     204     205     205     207
-     205     222     205     206     207     208     207     220
-     208     212     208     218     209     210     209     211
-     213     209     213     214     213     212     214     215
-     214     216     216     218     216     217     218     219
-     219     220     220     221     222     226     222     224
-     222     223     224     225     226     228     226     227
-     228     229     229     230     229     231     229     232
-     232     233     233     236     233     234     233     235
-     236     238     236     259     236     237     238     239
-     239     241     239     255     239     240     241     244
-     241     242     242     243     244     246     244     245
-     246     247     246     248     248     250     248     249
-     250     251     250     242     251     252     251     253
-     251     254     255     259     255     257     255     256
-     257     258     259     261     259     260     261     262
-     262     263     262     264     262     265     265     266
-     266     269     266     267     266     268     269     271
-     269     292     269     270     271     272     272     274
-     272     288     272     273     274     277     274     275
-     275     276     277     279     277     278     279     280
-     279     281     281     283     281     282     283     284
-     283     275     284     285     284     286     284     287
-     288     292     288     290     288     289     290     291
-     292     294     292     293     294     295     295     296
-     295     297     295     298     298     299     299     302
-     299     300     299     301     302     304     302     325
-     302     303     304     305     305     307     305     321
-     305     306     307     316     307     310     308     309
-     309     310     310     311     312     317     313     312
-     313     314     313     315     316     315     316     308
-     317     318     317     308     318     319     318     320
-     321     325     321     323     321     322     323     324
-     325     327     325     326     327     328     328     329
-     328     330     328     331     331     332     332     335
-     332     333     332     334     335     337     335     358
-     335     336     337     338     338     340     338     354
-     338     339     340     343     340     341     341     342
-     343     345     343     344     345     346     345     347
-     347     349     347     348     349     350     349     341
-     350     351     350     352     350     353     354     358
-     354     356     354     355     356     357     358     360
-     358     359     360     361     361     362     361     363
-     361     364     364     365     365     368     365     366
-     365     367     368     370     368     391     368     369
-     370     371     371     373     371     387     371     372
-     373     382     373     376     374     375     375     376
-     376     377     378     383     379     378     379     380
-     379     381     382     381     382     374     383     384
-     383     374     384     385     384     386     387     391
-     387     389     387     388     389     390     391     393
-     391     392     393     394     394     395     394     396
-     394     397     397     398     398     401     398     399
-     398     400     401     403     401     425     401     402
-     403     404     404     406     404     421     404     405
-     406     407     406     419     407     411     407     417
-     408     409     408     410     412     408     412     413
-     412     411     413     414     413     415     415     417
-     415     416     417     418     418     419     419     420
-     421     425     421     423     421     422     423     424
-     425     427     425     426     427     428     428     429
-     428     430     428     431     431     432     432     435
-     432     433     432     434     435     437     435     459
-     435     436     437     438     438     440     438     455
-     438     439     440     441     440     453     441     445
-     441     451     442     443     442     444     446     442
-     446     447     446     445     447     448     447     449
-     449     451     449     450     451     452     452     453
-     453     454     455     459     455     457     455     456
-     457     458     459     461     459     460     461     462
-     462     463     462     464     462     465     465     466
-     466     469     466     467     466     468     469     471
-     469     492     469     470     471     472     472     474
-     472     488     472     473     474     483     474     477
-     475     476     476     477     477     478     479     484
-     480     479     480     481     480     482     483     482
-     483     475     484     485     484     475     485     486
-     485     487     488     492     488     490     488     489
-     490     491     492     494     492     493     494     495
-     495     496     495     497     495     498     498     499
-     499     502     499     500     499     501     502     504
-     502     525     502     503     504     505     505     507
-     505     521     505     506     507     510     507     508
-     508     509     510     512     510     511     512     513
-     512     514     514     516     514     515     516     517
-     516     508     517     518     517     519     517     520
-     521     525     521     523     521     522     523     524
-     525     527     525     526     528     529     528     530
-     531     532     531     533     535     536     535     537
-     538     539     538     540     542     543     542     544
-     545     546     545     547     548     549     548     550
-     551     552     551     553     554     555     554     556
-     557     558     557     559     560     561     560     562
-     563     564     563     565     566     567     566     568
-     569     570     569     571     572     573     572     574
-     575     576     575     577     578     579     578     580
-     581     582     581     583     584     585     584     586
-     587     588     587     589     590     591     590     592
-     593     594     593     595     596     597     596     598
-     599     600     599     601     602     603     602     604
-     605     606     605     607     608     609     608     610
-     611     612     611     613     614     615     614     616
-     617     618     617     619     620     621     620     622
-     623     624     623     625     626     627     626     628
-     629     630     629     631     632     633     632     634
-     635     636     635     637     638     639     638     640
-     641     642     641     643     644     645     644     646
-     647     648     647     649     650     651     650     652
-     653     654     653     655     656     657     656     658
-     659     660     659     661     662     663     662     664
-     665     666     665     667     668     669     668     670
-     671     672     671     673     674     675     674     676
-     677     678     677     679     680     681     680     682
-     683     684     683     685     686     687     686     688
-     689     690     689     691     692     693     692     694
-     695     696     695     697     698     699     698     700
-     701     702     701     703     704     705     704     706
-     707     708     707     709     710     711     710     712
-     713     714     713     715     716     717     716     718
-     719     720     719     721     722     723     722     724
-     725     726     725     727     728     729     728     730
-     731     732     731     733     734     735     734     736
-     737     738     737     739     740     741     740     742
-     743     744     743     745     746     747     746     748
-     749     750     749     751     752     753     752     754
-     755     756     755     757     758     759     758     760
-     761     762     761     763     764     765     764     766
-     767     768     767     769     770     771     770     772
-     773     774     773     775     776     777     776     778
-     779     780     779     781     782     783     782     784
-     785     786     785     787     788     789     788     790
-     791     792     791     793     794     795     794     796
-     797     798     797     799     800     801     800     802
-     803     804     803     805     806     807     806     808
-     809     810     809     811     812     813     812     814
-     815     816     815     817     818     819     818     820
-     821     822     821     823     825     826     825     827
-     828     829     828     830     831     832     831     833
-     834     835     834     836     837     838     837     839
-     840     841     840     842     843     844     843     845
-     846     847     846     848     849     850     849     851
-     852     853     852     854     855     856     855     857
-     859     860     859     861     862     863     862     864
-     866     867     866     868     869     870     869     871
-     872     873     872     874     875     876     875     877
-     878     879     878     880     881     882     881     883
-     884     885     884     886     887     888     887     889
-     890     891     890     892     893     894     893     895
-     896     897     896     898     899     900     899     901
-     902     903     902     904     905     906     905     907
-     908     909     908     910     911     912     911     913
-     914     915     914     916     917     918     917     919
-     920     921     920     922     923     924     923     925
-     926     927     926     928     929     930     929     931
-     932     933     932     934     935     936     935     937
-     938     939     938     940     941     942     941     943
-     944     945     944     946     947     948     947     949
-     950     951     950     952     953     954     953     955
-     956     957     956     958     959     960     959     961
-     962     963     962     964     965     966     965     967
-     968     969     968     970     971     972     971     973
-     974     975     974     976     977     978     977     979
-     980     981     980     982     983     984     983     985
-     986     987     986     988     989     990     989     991
-     992     993     992     994     995     996     995     997
-     998     999     998    1000    1001    1002    1001    1003
-    1004    1005    1004    1006    1007    1008    1007    1009
-    1011    1012    1011    1013    1014    1015    1014    1016
-    1017    1018    1017    1019    1020    1021    1020    1022
-    1023    1024    1023    1025    1026    1027    1026    1028
-    1029    1030    1029    1031    1032    1033    1032    1034
-    1035    1036    1035    1037    1038    1039    1038    1040
-    1041    1042    1041    1043    1044    1045    1044    1046
-    1047    1048    1047    1049    1050    1051    1050    1052
-    1053    1054    1053    1055    1056    1057    1056    1058
-    1059    1060    1059    1061    1063    1064    1063    1065
-    1066    1067    1066    1068    1069    1070    1069    1071
-    1072    1073    1072    1074    1075    1076    1075    1077
-    1078    1079    1078    1080    1081    1082    1081    1083
-    1084    1085    1084    1086    1087    1088    1087    1089
-    1090    1091    1090    1092    1093    1094    1093    1095
-    1096    1097    1096    1098    1099    1100    1099    1101
-    1102    1103    1102    1104    1105    1106    1105    1107
-    1108    1109    1108    1110    1111    1112    1111    1113
-    1114    1115    1114    1116    1117    1118    1117    1119
-    1120    1121    1120    1122    1123    1124    1123    1125
-    1126    1127    1126    1128    1129    1130    1129    1131
-    1132    1133    1132    1134    1135    1136    1135    1137
-    1138    1139    1138    1140    1141    1142    1141    1143
-    1144    1145    1144    1146    1147    1148    1147    1149
-    1150    1151    1150    1152    1153    1154    1153    1155
-    1156    1157    1156    1158    1159    1160    1159    1161
-    1162    1163    1162    1164    1165    1166    1165    1167
-    1168    1169    1168    1170    1171    1172    1171    1173
-    1174    1175    1174    1176    1177    1178    1177    1179
-    1180    1181    1180    1182    1183    1184    1183    1185
-    1186    1187    1186    1188    1189    1190    1189    1191
-    1192    1193    1192    1194    1195    1196    1195    1197
-    1198    1199    1198    1200    1201    1202    1201    1203
-    1204    1205    1204    1206    1207    1208    1207    1209
-    1210    1211    1210    1212    1213    1214    1213    1215
-    1216    1217    1216    1218    1219    1220    1219    1221
-    1222    1223    1222    1224    1225    1226    1225    1227
-    1228    1229    1228    1230    1231    1232    1231    1233
-    1234    1235    1234    1236    1237    1238    1237    1239
-    1240    1241    1240    1242    1243    1244    1243    1245
-    1246    1247    1246    1248    1249    1250    1249    1251
-    1252    1253    1252    1254    1255    1256    1255    1257
-    1258    1259    1258    1260    1261    1262    1261    1263
-    1265    1266    1265    1267    1268    1269    1268    1270
-    1271    1272    1271    1273    1274    1275    1274    1276
-    1277    1278    1277    1279    1280    1281    1280    1282
-    1283    1284    1283    1285    1286    1287    1286    1288
-    1289    1290    1289    1291    1292    1293    1292    1294
-    1295    1296    1295    1297    1298    1299    1298    1300
-    1301    1302    1301    1303    1304    1305    1304    1306
-    1307    1308    1307    1309    1310    1311    1310    1312
-    1313    1314    1313    1315    1316    1317    1316    1318
-    1319    1320    1319    1321    1322    1323    1322    1324
-    1325    1326    1325    1327    1328    1329    1328    1330
-    1331    1332    1331    1333    1334    1335    1334    1336
-    1337    1338    1337    1339    1340    1341    1340    1342
-    1343    1344    1343    1345    1346    1347    1346    1348
-    1349    1350    1349    1351    1352    1353    1352    1354
-    1355    1356    1355    1357    1358    1359    1358    1360
-    1361    1362    1361    1363    1364    1365    1364    1366
-    1367    1368    1367    1369    1370    1371    1370    1372
-    1373    1374    1373    1375    1376    1377    1376    1378
-    1379    1380    1379    1381    1382    1383    1382    1384
-    1385    1386    1385    1387    1388    1389    1388    1390
-    1391    1392    1391    1393    1394    1395    1394    1396
-    1397    1398    1397    1399    1400    1401    1400    1402
-    1403    1404    1403    1405    1406    1407    1406    1408
-    1409    1410    1409    1411    1412    1413    1412    1414
-    1415    1416    1415    1417    1418    1419    1418    1420
-    1421    1422    1421    1423    1424    1425    1424    1426
-    1427    1428    1427    1429    1430    1431    1430    1432
-    1433    1434    1433    1435    1436    1437    1436    1438
-    1439    1440    1439    1441    1442    1443    1442    1444
-    1445    1446    1445    1447    1448    1449    1448    1450
-    1451    1452    1451    1453    1454    1455    1454    1456
-    1457    1458    1457    1459    1460    1461    1460    1462
-    1463    1464    1463    1465    1466    1467    1466    1468
-    1470    1471    1470    1472    1473    1474    1473    1475
-    1476    1477    1476    1478    1479    1480    1479    1481
-    1482    1483    1482    1484    1485    1486    1485    1487
-    1488    1489    1488    1490    1491    1492    1491    1493
-    1494    1495    1494    1496    1497    1498    1497    1499
-    1500    1501    1500    1502    1503    1504    1503    1505
-    1506    1507    1506    1508    1509    1510    1509    1511
-    1512    1513    1512    1514    1515    1516    1515    1517
-    1518    1519    1518    1520    1521    1522    1521    1523
-    1524    1525    1524    1526    1527    1528    1527    1529
-    1530    1531    1530    1532    1533    1534    1533    1535
-    1536    1537    1536    1538    1539    1540    1539    1541
-    1542    1543    1542    1544    1545    1546    1545    1547
-    1548    1549    1548    1550    1551    1552    1551    1553
-    1554    1555    1554    1556    1557    1558    1557    1559
-    1560    1561    1560    1562    1563    1564    1563    1565
-    1566    1567    1566    1568    1569    1570    1569    1571
-    1572    1573    1572    1574    1575    1576    1575    1577
-    1578    1579    1578    1580    1581    1582    1581    1583
-    1584    1585    1584    1586    1587    1588    1587    1589
-    1590    1591    1590    1592    1593    1594    1593    1595
-    1596    1597    1596    1598    1599    1600    1599    1601
-    1602    1603    1602    1604    1605    1606    1605    1607
-    1608    1609    1608    1610    1611    1612    1611    1613
-    1614    1615    1614    1616    1617    1618    1617    1619
-    1620    1621    1620    1622    1623    1624    1623    1625
-    1626    1627    1626    1628    1629    1630    1629    1631
-    1632    1633    1632    1634    1635    1636    1635    1637
-    1638    1639    1638    1640    1641    1642    1641    1643
-    1644    1645    1644    1646    1647    1648    1647    1649
-    1650    1651    1650    1652    1653    1654    1653    1655
-    1656    1657    1656    1658    1659    1660    1659    1661
-    1662    1663    1662    1664    1665    1666    1665    1667
-    1668    1669    1668    1670    1671    1672    1671    1673
-    1674    1675    1674    1676    1677    1678    1677    1679
-    1680    1681    1680    1682    1683    1684    1683    1685
-    1686    1687    1686    1688    1689    1690    1689    1691
-    1692    1693    1692    1694    1695    1696    1695    1697
-    1698    1699    1698    1700    1701    1702    1701    1703
-    1704    1705    1704    1706    1707    1708    1707    1709
-    1710    1711    1710    1712    1713    1714    1713    1715
-    1716    1717    1716    1718    1719    1720    1719    1721
-    1723    1724    1723    1725    1726    1727    1726    1728
-    1729    1730    1729    1731    1732    1733    1732    1734
-    1735    1736    1735    1737    1738    1739    1738    1740
-    1741    1742    1741    1743    1744    1745    1744    1746
-    1747    1748    1747    1749    1750    1751    1750    1752
-    1753    1754    1753    1755    1756    1757    1756    1758
-    1759    1760    1759    1761    1762    1763    1762    1764
-    1765    1766    1765    1767    1768    1769    1768    1770
-    1771    1772    1771    1773    1774    1775    1774    1776
-    1777    1778    1777    1779    1780    1781    1780    1782
-    1784    1785    1784    1786    1787    1788    1787    1789
-    1790    1791    1790    1792    1793    1794    1793    1795
-    1796    1797    1796    1798    1799    1800    1799    1801
-    1802    1803    1802    1804    1805    1806    1805    1807
-    1808    1809    1808    1810    1812    1813    1812    1814
-    1815    1816    1815    1817    1818    1819    1818    1820
-    1821    1822    1821    1823    1824    1825    1824    1826
-    1827    1828    1827    1829    1830    1831    1830    1832
-    1833    1834    1833    1835    1836    1837    1836    1838
-    1839    1840    1839    1841    1842    1843    1842    1844
-    1846    1847    1846    1848    1849    1850    1849    1851
-    1852    1853    1852    1854    1855    1856    1855    1857
-    1858    1859    1858    1860    1861    1862    1861    1863
-    1864    1865    1864    1866    1867    1868    1867    1869
-    1870    1871    1870    1872    1873    1874    1873    1875
-    1876    1877    1876    1878    1879    1880    1879    1881
-    1882    1883    1882    1884    1885    1886    1885    1887
-    1888    1889    1888    1890    1891    1892    1891    1893
-    1894    1895    1894    1896    1897    1898    1897    1899
-    1900    1901    1900    1902    1903    1904    1903    1905
-    1906    1907    1906    1908    1909    1910    1909    1911
-    1912    1913    1912    1914    1916    1917    1916    1918
-    1919    1920    1919    1921    1922    1923    1922    1924
-    1925    1926    1925    1927    1928    1929    1928    1930
-    1931    1932    1931    1933    1935    1936    1935    1937
-    1938    1939    1938    1940    1941    1942    1941    1943
-    1944    1945    1944    1946    1947    1948    1947    1949
-    1950    1951    1950    1952    1953    1954    1953    1955
-    1956    1957    1956    1958    1959    1960    1959    1961
-    1962    1963    1962    1964    1966    1967    1966    1968
-
-    1491 !NTHETA: angles
-       1       4       5       2       1       4       2       1       3
-       3       1       4       4       5       7       4       5       6
-       4       5       8       5       8       9       5       8      31
-       5       8      10       6       5       7       8      31      32
-       8      31      33       8      31      27       8      10      11
-       8       5       7       8       5       6      10      11      12
-      10      11      27      10      11      13      10       8       9
-      10       8      31      11      27      28      11      27      29
-      11      27      31      11      13      16      11      13      22
-      13      22      14      13      22      21      13      16      15
-      13      16      17      13      11      12      13      11      27
-      14      23      18      14      15      16      15      14      22
-      17      16      15      18      19      21      18      19      20
-      19      18      23      20      19      21      21      22      14
-      22      21      19      22      13      16      23      24      26
-      23      24      25      23      14      22      23      14      15
-      24      23      18      24      23      14      25      24      26
-      27      31      32      27      31      33      27      29      30
-      27      11      12      29      27      28      31      33      34
-      31      27      28      31      27      29      31       8       9
-      33      31      32      34      37      38      35      34      33
-      35      34      37      35      34      36      36      34      33
-      36      34      37      37      38      40      37      38      39
-      37      38      41      37      34      33      38      41      42
-      38      41      64      38      41      43      39      38      40
-      41      64      65      41      64      66      41      64      60
-      41      43      44      41      38      40      41      38      39
-      43      44      45      43      44      60      43      44      46
-      43      41      42      43      41      64      44      60      61
-      44      60      62      44      60      64      44      46      47
-      44      46      49      46      49      50      46      49      51
-      46      47      55      46      47      48      46      44      45
-      46      44      60      48      47      55      49      51      53
-      49      51      52      49      46      47      51      53      54
-      51      53      55      51      49      50      52      51      53
-      53      55      47      53      55      56      55      56      59
-      55      56      58      55      56      57      55      53      54
-      56      55      47      57      56      59      57      56      58
-      58      56      59      60      64      65      60      64      66
-      60      62      63      60      44      45      62      60      61
-      64      66      67      64      60      61      64      60      62
-      64      41      42      66      64      65      67      70      71
-      68      67      66      68      67      70      68      67      69
-      69      67      66      69      67      70      70      71      73
-      70      71      72      70      71      74      70      67      66
-      71      74      75      71      74      95      71      74      76
-      72      71      73      74      95      96      74      95      97
-      74      95      91      74      76      77      74      71      73
-      74      71      72      76      77      78      76      77      91
-      76      77      79      76      74      75      76      74      95
-      77      91      92      77      91      93      77      91      95
-      77      79      80      77      79      84      79      84      85
-      79      84      86      79      80      82      79      80      81
-      79      77      78      79      77      91      81      80      82
-      82      87      86      83      82      80      84      86      87
-      84      79      80      86      84      85      87      88      90
-      87      88      89      87      82      80      87      82      83
-      88      87      86      88      87      82      89      88      90
-      91      95      96      91      95      97      91      93      94
-      91      77      78      93      91      92      95      97      98
-      95      91      92      95      91      93      95      74      75
-      97      95      96      98     101     102      99      98      97
-      99      98     101      99      98     100     100      98      97
-     100      98     101     101     102     104     101     102     103
-     101     102     105     101      98      97     102     105     106
-     102     105     126     102     105     107     103     102     104
-     105     126     127     105     126     128     105     126     122
-     105     107     108     105     102     104     105     102     103
-     107     108     109     107     108     122     107     108     110
-     107     105     106     107     105     126     108     122     123
-     108     122     124     108     122     126     108     110     111
-     108     110     115     110     115     116     110     115     117
-     110     111     113     110     111     112     110     108     109
-     110     108     122     112     111     113     113     118     117
-     114     113     111     115     117     118     115     110     111
-     117     115     116     118     119     121     118     119     120
-     118     113     111     118     113     114     119     118     117
-     119     118     113     120     119     121     122     126     127
-     122     126     128     122     124     125     122     108     109
-     124     122     123     126     128     129     126     122     123
-     126     122     124     126     105     106     128     126     127
-     129     132     133     130     129     128     130     129     132
-     130     129     131     131     129     128     131     129     132
-     132     133     135     132     133     134     132     133     136
-     132     129     128     133     136     137     133     136     159
-     133     136     138     134     133     135     136     159     160
-     136     159     161     136     159     155     136     138     139
-     136     133     135     136     133     134     138     139     140
-     138     139     155     138     139     141     138     136     137
-     138     136     159     139     155     156     139     155     157
-     139     155     159     139     141     142     139     141     144
-     141     144     145     141     144     146     141     142     150
-     141     142     143     141     139     140     141     139     155
-     143     142     150     144     146     148     144     146     147
-     144     141     142     146     148     149     146     148     150
-     146     144     145     147     146     148     148     150     142
-     148     150     151     150     151     154     150     151     153
-     150     151     152     150     148     149     151     150     142
-     152     151     154     152     151     153     153     151     154
-     155     159     160     155     159     161     155     157     158
-     155     139     140     157     155     156     159     161     162
-     159     155     156     159     155     157     159     136     137
-     161     159     160     162     165     166     163     162     161
-     163     162     165     163     162     164     164     162     161
-     164     162     165     165     166     168     165     166     167
-     165     166     169     165     162     161     166     169     170
-     166     169     192     166     169     171     167     166     168
-     169     192     193     169     192     194     169     192     188
-     169     171     172     169     166     168     169     166     167
-     171     172     173     171     172     188     171     172     174
-     171     169     170     171     169     192     172     188     189
-     172     188     190     172     188     192     172     174     177
-     172     174     183     174     183     175     174     183     182
-     174     177     176     174     177     178     174     172     173
-     174     172     188     175     184     179     175     176     177
-     176     175     183     178     177     176     179     180     182
-     179     180     181     180     179     184     181     180     182
-     182     183     175     183     182     180     183     174     177
-     184     185     187     184     185     186     184     175     183
-     184     175     176     185     184     179     185     184     175
-     186     185     187     188     192     193     188     192     194
-     188     190     191     188     172     173     190     188     189
-     192     194     195     192     188     189     192     188     190
-     192     169     170     194     192     193     195     198     199
-     196     195     194     196     195     198     196     195     197
-     197     195     194     197     195     198     198     199     201
-     198     199     200     198     199     202     198     195     194
-     199     202     203     199     202     226     199     202     204
-     200     199     201     202     226     227     202     226     228
-     202     226     222     202     204     205     202     199     201
-     202     199     200     204     205     206     204     205     222
-     204     205     207     204     202     203     204     202     226
-     205     222     223     205     222     224     205     222     226
-     205     207     220     205     207     208     207     220     219
-     207     220     221     207     208     218     207     208     212
-     207     205     206     207     205     222     208     212     213
-     208     207     220     209     213     212     209     213     214
-     210     209     211     212     208     218     213     214     216
-     213     214     215     213     209     211     213     209     210
-     214     216     217     214     216     218     214     213     212
-     215     214     216     216     218     208     216     218     219
-     218     219     220     218     216     217     219     218     208
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-    1840    1839    1841    1843    1842    1844    1847    1846    1848
-    1850    1849    1851    1853    1852    1854    1856    1855    1857
-    1859    1858    1860    1862    1861    1863    1865    1864    1866
-    1868    1867    1869    1871    1870    1872    1874    1873    1875
-    1877    1876    1878    1880    1879    1881    1883    1882    1884
-    1886    1885    1887    1889    1888    1890    1892    1891    1893
-    1895    1894    1896    1898    1897    1899    1901    1900    1902
-    1904    1903    1905    1907    1906    1908    1910    1909    1911
-    1913    1912    1914    1917    1916    1918    1920    1919    1921
-    1923    1922    1924    1926    1925    1927    1929    1928    1930
-    1932    1931    1933    1936    1935    1937    1939    1938    1940
-    1942    1941    1943    1945    1944    1946    1948    1947    1949
-    1951    1950    1952    1954    1953    1955    1957    1956    1958
-    1960    1959    1961    1963    1962    1964    1967    1966    1968
-
-    1497 !NPHI: dihedrals
-       1       4       5       8       1       4       5       6
-       1       4       5       7       2       1       4       5
-       3       1       4       5       4       5       8      10
-       4       5       8      31       4       5       8       9
-       5       8      10      11       5       8      31      27
-       5       8      31      33       5       8      31      32
-       6       5       8      10       6       5       8      31
-       6       5       8       9       7       5       8      10
-       7       5       8      31       7       5       8       9
-       8      31      27      11       8      31      27      29
-       8      31      27      28       8      31      33      34
-       8      10      11      13       8      10      11      27
-       8      10      11      12       9       8      10      11
-       9       8      31      27       9       8      31      33
-       9       8      31      32      10      11      13      22
-      10      11      13      16      10      11      27      31
-      10      11      27      29      10      11      27      28
-      10       8      31      27      10       8      31      33
-      10       8      31      32      11      27      31      33
-      11      27      31      32      11      27      29      30
-      11      13      22      21      11      13      22      14
-      11      13      16      17      11      13      16      15
-      11      10       8      31      12      11      13      22
-      12      11      13      16      12      11      27      31
-      12      11      27      29      12      11      27      28
-      13      22      21      19      13      22      14      23
-      13      22      14      15      13      16      15      14
-      13      11      27      31      13      11      27      29
-      13      11      27      28      14      23      24      25
-      14      23      24      26      14      23      18      19
-      14      22      13      16      14      22      21      19
-      14      15      16      17      15      16      13      22
-      15      14      23      24      15      14      23      18
-      15      14      22      21      16      15      14      23
-      16      15      14      22      16      13      11      27
-      16      13      22      21      17      16      13      22
-      18      23      24      25      18      23      24      26
-      18      23      14      22      18      19      21      22
-      19      18      23      24      20      19      18      23
-      20      19      21      22      21      22      14      23
-      21      19      18      23      22      14      23      24
-      22      13      11      27      27      31      33      34
-      28      27      31      33      28      27      31      32
-      28      27      29      30      29      27      31      33
-      29      27      31      32      30      29      27      31
-      31      33      34      35      31      33      34      36
-      31      33      34      37      32      31      33      34
-      33      34      37      38      34      37      38      41
-      34      37      38      39      34      37      38      40
-      35      34      37      38      36      34      37      38
-      37      38      41      43      37      38      41      64
-      37      38      41      42      38      41      43      44
-      38      41      64      60      38      41      64      66
-      38      41      64      65      39      38      41      43
-      39      38      41      64      39      38      41      42
-      40      38      41      43      40      38      41      64
-      40      38      41      42      41      64      60      44
-      41      64      60      62      41      64      60      61
-      41      64      66      67      41      43      44      46
-      41      43      44      60      41      43      44      45
-      42      41      43      44      42      41      64      60
-      42      41      64      66      42      41      64      65
-      43      44      46      49      43      44      46      47
-      43      44      60      64      43      44      60      62
-      43      44      60      61      43      41      64      60
-      43      41      64      66      43      41      64      65
-      44      60      64      66      44      60      64      65
-      44      60      62      63      44      46      49      51
-      44      46      49      50      44      46      47      48
-      44      46      47      55      44      43      41      64
-      45      44      46      49      45      44      46      47
-      45      44      60      64      45      44      60      62
-      45      44      60      61      46      49      51      52
-      46      49      51      53      46      47      55      53
-      46      47      55      56      46      44      60      64
-      46      44      60      62      46      44      60      61
-      47      55      53      51      47      55      53      54
-      47      55      56      57      47      55      56      58
-      47      55      56      59      47      46      44      60
-      47      46      49      51      47      46      49      50
-      48      47      46      49      48      47      55      53
-      48      47      55      56      49      51      53      55
-      49      51      53      54      49      46      44      60
-      49      46      47      55      50      49      51      52
-      50      49      51      53      51      53      55      56
-      52      51      53      55      52      51      53      54
-      53      55      56      57      53      55      56      58
-      53      55      56      59      54      53      55      56
-      60      64      66      67      61      60      64      66
-      61      60      64      65      61      60      62      63
-      62      60      64      66      62      60      64      65
-      63      62      60      64      64      66      67      68
-      64      66      67      69      64      66      67      70
-      65      64      66      67      66      67      70      71
-      67      70      71      74      67      70      71      72
-      67      70      71      73      68      67      70      71
-      69      67      70      71      70      71      74      76
-      70      71      74      95      70      71      74      75
-      71      74      76      77      71      74      95      91
-      71      74      95      97      71      74      95      96
-      72      71      74      76      72      71      74      95
-      72      71      74      75      73      71      74      76
-      73      71      74      95      73      71      74      75
-      74      95      91      77      74      95      91      93
-      74      95      91      92      74      95      97      98
-      74      76      77      79      74      76      77      91
-      74      76      77      78      75      74      76      77
-      75      74      95      91      75      74      95      97
-      75      74      95      96      76      77      79      84
-      76      77      79      80      76      77      91      95
-      76      77      91      93      76      77      91      92
-      76      74      95      91      76      74      95      97
-      76      74      95      96      77      91      95      97
-      77      91      95      96      77      91      93      94
-      77      79      84      86      77      79      84      85
-      77      79      80      81      77      79      80      82
-      77      76      74      95      78      77      79      84
-      78      77      79      80      78      77      91      95
-      78      77      91      93      78      77      91      92
-      79      84      86      87      79      80      82      87
-      79      80      82      83      79      77      91      95
-      79      77      91      93      79      77      91      92
-      80      82      87      88      80      82      87      86
-      80      79      77      91      80      79      84      86
-      80      79      84      85      81      80      79      84
-      81      80      82      87      81      80      82      83
-      82      87      88      89      82      87      88      90
-      82      87      86      84      82      80      79      84
-      83      82      87      88      83      82      87      86
-      84      86      87      88      84      79      77      91
-      85      84      86      87      86      87      88      89
-      86      87      88      90      91      95      97      98
-      92      91      95      97      92      91      95      96
-      92      91      93      94      93      91      95      97
-      93      91      95      96      94      93      91      95
-      95      97      98      99      95      97      98     100
-      95      97      98     101      96      95      97      98
-      97      98     101     102      98     101     102     105
-      98     101     102     103      98     101     102     104
-      99      98     101     102     100      98     101     102
-     101     102     105     107     101     102     105     126
-     101     102     105     106     102     105     107     108
-     102     105     126     122     102     105     126     128
-     102     105     126     127     103     102     105     107
-     103     102     105     126     103     102     105     106
-     104     102     105     107     104     102     105     126
-     104     102     105     106     105     126     122     108
-     105     126     122     124     105     126     122     123
-     105     126     128     129     105     107     108     110
-     105     107     108     122     105     107     108     109
-     106     105     107     108     106     105     126     122
-     106     105     126     128     106     105     126     127
-     107     108     110     115     107     108     110     111
-     107     108     122     126     107     108     122     124
-     107     108     122     123     107     105     126     122
-     107     105     126     128     107     105     126     127
-     108     122     126     128     108     122     126     127
-     108     122     124     125     108     110     115     117
-     108     110     115     116     108     110     111     112
-     108     110     111     113     108     107     105     126
-     109     108     110     115     109     108     110     111
-     109     108     122     126     109     108     122     124
-     109     108     122     123     110     115     117     118
-     110     111     113     118     110     111     113     114
-     110     108     122     126     110     108     122     124
-     110     108     122     123     111     113     118     119
-     111     113     118     117     111     110     108     122
-     111     110     115     117     111     110     115     116
-     112     111     110     115     112     111     113     118
-     112     111     113     114     113     118     119     120
-     113     118     119     121     113     118     117     115
-     113     111     110     115     114     113     118     119
-     114     113     118     117     115     117     118     119
-     115     110     108     122     116     115     117     118
-     117     118     119     120     117     118     119     121
-     122     126     128     129     123     122     126     128
-     123     122     126     127     123     122     124     125
-     124     122     126     128     124     122     126     127
-     125     124     122     126     126     128     129     130
-     126     128     129     131     126     128     129     132
-     127     126     128     129     128     129     132     133
-     129     132     133     136     129     132     133     134
-     129     132     133     135     130     129     132     133
-     131     129     132     133     132     133     136     138
-     132     133     136     159     132     133     136     137
-     133     136     138     139     133     136     159     155
-     133     136     159     161     133     136     159     160
-     134     133     136     138     134     133     136     159
-     134     133     136     137     135     133     136     138
-     135     133     136     159     135     133     136     137
-     136     159     155     139     136     159     155     157
-     136     159     155     156     136     159     161     162
-     136     138     139     141     136     138     139     155
-     136     138     139     140     137     136     138     139
-     137     136     159     155     137     136     159     161
-     137     136     159     160     138     139     141     144
-     138     139     141     142     138     139     155     159
-     138     139     155     157     138     139     155     156
-     138     136     159     155     138     136     159     161
-     138     136     159     160     139     155     159     161
-     139     155     159     160     139     155     157     158
-     139     141     144     146     139     141     144     145
-     139     141     142     143     139     141     142     150
-     139     138     136     159     140     139     141     144
-     140     139     141     142     140     139     155     159
-     140     139     155     157     140     139     155     156
-     141     144     146     147     141     144     146     148
-     141     142     150     148     141     142     150     151
-     141     139     155     159     141     139     155     157
-     141     139     155     156     142     150     148     146
-     142     150     148     149     142     150     151     152
-     142     150     151     153     142     150     151     154
-     142     141     139     155     142     141     144     146
-     142     141     144     145     143     142     141     144
-     143     142     150     148     143     142     150     151
-     144     146     148     150     144     146     148     149
-     144     141     139     155     144     141     142     150
-     145     144     146     147     145     144     146     148
-     146     148     150     151     147     146     148     150
-     147     146     148     149     148     150     151     152
-     148     150     151     153     148     150     151     154
-     149     148     150     151     155     159     161     162
-     156     155     159     161     156     155     159     160
-     156     155     157     158     157     155     159     161
-     157     155     159     160     158     157     155     159
-     159     161     162     163     159     161     162     164
-     159     161     162     165     160     159     161     162
-     161     162     165     166     162     165     166     169
-     162     165     166     167     162     165     166     168
-     163     162     165     166     164     162     165     166
-     165     166     169     171     165     166     169     192
-     165     166     169     170     166     169     171     172
-     166     169     192     188     166     169     192     194
-     166     169     192     193     167     166     169     171
-     167     166     169     192     167     166     169     170
-     168     166     169     171     168     166     169     192
-     168     166     169     170     169     192     188     172
-     169     192     188     190     169     192     188     189
-     169     192     194     195     169     171     172     174
-     169     171     172     188     169     171     172     173
-     170     169     171     172     170     169     192     188
-     170     169     192     194     170     169     192     193
-     171     172     174     183     171     172     174     177
-     171     172     188     192     171     172     188     190
-     171     172     188     189     171     169     192     188
-     171     169     192     194     171     169     192     193
-     172     188     192     194     172     188     192     193
-     172     188     190     191     172     174     183     182
-     172     174     183     175     172     174     177     178
-     172     174     177     176     172     171     169     192
-     173     172     174     183     173     172     174     177
-     173     172     188     192     173     172     188     190
-     173     172     188     189     174     183     182     180
-     174     183     175     184     174     183     175     176
-     174     177     176     175     174     172     188     192
-     174     172     188     190     174     172     188     189
-     175     184     185     186     175     184     185     187
-     175     184     179     180     175     183     174     177
-     175     183     182     180     175     176     177     178
-     176     177     174     183     176     175     184     185
-     176     175     184     179     176     175     183     182
-     177     176     175     184     177     176     175     183
-     177     174     172     188     177     174     183     182
-     178     177     174     183     179     184     185     186
-     179     184     185     187     179     184     175     183
-     179     180     182     183     180     179     184     185
-     181     180     179     184     181     180     182     183
-     182     183     175     184     182     180     179     184
-     183     175     184     185     183     174     172     188
-     188     192     194     195     189     188     192     194
-     189     188     192     193     189     188     190     191
-     190     188     192     194     190     188     192     193
-     191     190     188     192     192     194     195     196
-     192     194     195     197     192     194     195     198
-     193     192     194     195     194     195     198     199
-     195     198     199     202     195     198     199     200
-     195     198     199     201     196     195     198     199
-     197     195     198     199     198     199     202     204
-     198     199     202     226     198     199     202     203
-     199     202     204     205     199     202     226     222
-     199     202     226     228     199     202     226     227
-     200     199     202     204     200     199     202     226
-     200     199     202     203     201     199     202     204
-     201     199     202     226     201     199     202     203
-     202     226     222     205     202     226     222     224
-     202     226     222     223     202     226     228     229
-     202     204     205     207     202     204     205     222
-     202     204     205     206     203     202     204     205
-     203     202     226     222     203     202     226     228
-     203     202     226     227     204     205     207     208
-     204     205     207     220     204     205     222     226
-     204     205     222     224     204     205     222     223
-     204     202     226     222     204     202     226     228
-     204     202     226     227     205     222     226     228
-     205     222     226     227     205     222     224     225
-     205     207     208     212     205     207     208     218
-     205     207     220     221     205     207     220     219
-     205     204     202     226     206     205     207     208
-     206     205     207     220     206     205     222     226
-     206     205     222     224     206     205     222     223
-     207     220     219     218     207     208     212     213
-     207     208     218     216     207     208     218     219
-     207     205     222     226     207     205     222     224
-     207     205     222     223     208     218     216     214
-     208     218     216     217     208     218     219     220
-     208     212     213     209     208     212     213     214
-     208     207     205     222     208     207     220     221
-     208     207     220     219     209     213     214     215
-     209     213     214     216     210     209     213     214
-     210     209     213     212     211     209     213     214
-     211     209     213     212     212     213     214     215
-     212     213     214     216     212     208     207     220
-     212     208     218     216     212     208     218     219
-     213     214     216     218     213     214     216     217
-     213     212     208     218     214     216     218     219
-     215     214     216     218     215     214     216     217
-     216     218     219     220     217     216     218     219
-     218     219     220     221     218     208     207     220
-     220     207     205     222     222     226     228     229
-     223     222     226     228     223     222     226     227
-     223     222     224     225     224     222     226     228
-     224     222     226     227     225     224     222     226
-     226     228     229     230     226     228     229     231
-     226     228     229     232     227     226     228     229
-     228     229     232     233     229     232     233     236
-     229     232     233     234     229     232     233     235
-     230     229     232     233     231     229     232     233
-     232     233     236     238     232     233     236     259
-     232     233     236     237     233     236     238     239
-     233     236     259     255     233     236     259     261
-     233     236     259     260     234     233     236     238
-     234     233     236     259     234     233     236     237
-     235     233     236     238     235     233     236     259
-     235     233     236     237     236     259     255     239
-     236     259     255     257     236     259     255     256
-     236     259     261     262     236     238     239     241
-     236     238     239     255     236     238     239     240
-     237     236     238     239     237     236     259     255
-     237     236     259     261     237     236     259     260
-     238     239     241     244     238     239     241     242
-     238     239     255     259     238     239     255     257
-     238     239     255     256     238     236     259     255
-     238     236     259     261     238     236     259     260
-     239     255     259     261     239     255     259     260
-     239     255     257     258     239     241     244     246
-     239     241     244     245     239     241     242     243
-     239     241     242     250     239     238     236     259
-     240     239     241     244     240     239     241     242
-     240     239     255     259     240     239     255     257
-     240     239     255     256     241     244     246     247
-     241     244     246     248     241     242     250     248
-     241     242     250     251     241     239     255     259
-     241     239     255     257     241     239     255     256
-     242     250     248     246     242     250     248     249
-     242     250     251     252     242     250     251     253
-     242     250     251     254     242     241     239     255
-     242     241     244     246     242     241     244     245
-     243     242     241     244     243     242     250     248
-     243     242     250     251     244     246     248     250
-     244     246     248     249     244     241     239     255
-     244     241     242     250     245     244     246     247
-     245     244     246     248     246     248     250     251
-     247     246     248     250     247     246     248     249
-     248     250     251     252     248     250     251     253
-     248     250     251     254     249     248     250     251
-     255     259     261     262     256     255     259     261
-     256     255     259     260     256     255     257     258
-     257     255     259     261     257     255     259     260
-     258     257     255     259     259     261     262     263
-     259     261     262     264     259     261     262     265
-     260     259     261     262     261     262     265     266
-     262     265     266     269     262     265     266     267
-     262     265     266     268     263     262     265     266
-     264     262     265     266     265     266     269     271
-     265     266     269     292     265     266     269     270
-     266     269     271     272     266     269     292     288
-     266     269     292     294     266     269     292     293
-     267     266     269     271     267     266     269     292
-     267     266     269     270     268     266     269     271
-     268     266     269     292     268     266     269     270
-     269     292     288     272     269     292     288     290
-     269     292     288     289     269     292     294     295
-     269     271     272     274     269     271     272     288
-     269     271     272     273     270     269     271     272
-     270     269     292     288     270     269     292     294
-     270     269     292     293     271     272     274     277
-     271     272     274     275     271     272     288     292
-     271     272     288     290     271     272     288     289
-     271     269     292     288     271     269     292     294
-     271     269     292     293     272     288     292     294
-     272     288     292     293     272     288     290     291
-     272     274     277     279     272     274     277     278
-     272     274     275     276     272     274     275     283
-     272     271     269     292     273     272     274     277
-     273     272     274     275     273     272     288     292
-     273     272     288     290     273     272     288     289
-     274     277     279     280     274     277     279     281
-     274     275     283     281     274     275     283     284
-     274     272     288     292     274     272     288     290
-     274     272     288     289     275     283     281     279
-     275     283     281     282     275     283     284     285
-     275     283     284     286     275     283     284     287
-     275     274     272     288     275     274     277     279
-     275     274     277     278     276     275     274     277
-     276     275     283     281     276     275     283     284
-     277     279     281     283     277     279     281     282
-     277     274     272     288     277     274     275     283
-     278     277     279     280     278     277     279     281
-     279     281     283     284     280     279     281     283
-     280     279     281     282     281     283     284     285
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-     296     295     298     299     297     295     298     299
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-     299     302     325     321     299     302     325     327
-     299     302     325     326     300     299     302     304
-     300     299     302     325     300     299     302     303
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-     302     325     321     323     302     325     321     322
-     302     325     327     328     302     304     305     307
-     302     304     305     321     302     304     305     306
-     303     302     304     305     303     302     325     321
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-     304     305     307     316     304     305     307     310
-     304     305     321     325     304     305     321     323
-     304     305     321     322     304     302     325     321
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-     305     321     325     327     305     321     325     326
-     305     321     323     324     305     307     316     315
-     305     307     316     308     305     307     310     311
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-     306     305     307     316     306     305     307     310
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-     306     305     321     322     307     316     315     313
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-     308     317     318     319     308     317     318     320
-     308     317     312     313     308     316     307     310
-     308     316     315     313     308     309     310     311
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-     309     308     317     312     309     308     316     315
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-     310     307     305     321     310     307     316     315
-     311     310     307     316     312     317     318     319
-     312     317     318     320     312     317     308     316
-     312     313     315     316     313     312     317     318
-     314     313     312     317     314     313     315     316
-     315     316     308     317     315     313     312     317
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-     321     325     327     328     322     321     325     327
-     322     321     325     326     322     321     323     324
-     323     321     325     327     323     321     325     326
-     324     323     321     325     325     327     328     329
-     325     327     328     330     325     327     328     331
-     326     325     327     328     327     328     331     332
-     328     331     332     335     328     331     332     333
-     328     331     332     334     329     328     331     332
-     330     328     331     332     331     332     335     337
-     331     332     335     358     331     332     335     336
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-     333     332     335     337     333     332     335     358
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-     334     332     335     358     334     332     335     336
-     335     358     354     338     335     358     354     356
-     335     358     354     355     335     358     360     361
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-     335     337     338     339     336     335     337     338
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-     337     335     358     359     338     354     358     360
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-     340     338     354     355     341     349     347     345
-     341     349     347     348     341     349     350     351
-     341     349     350     352     341     349     350     353
-     341     340     338     354     341     340     343     345
-     341     340     343     344     342     341     340     343
-     342     341     349     347     342     341     349     350
-     343     345     347     349     343     345     347     348
-     343     340     338     354     343     340     341     349
-     344     343     345     346     344     343     345     347
-     345     347     349     350     346     345     347     349
-     346     345     347     348     347     349     350     351
-     347     349     350     352     347     349     350     353
-     348     347     349     350     354     358     360     361
-     355     354     358     360     355     354     358     359
-     355     354     356     357     356     354     358     360
-     356     354     358     359     357     356     354     358
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-     358     360     361     364     359     358     360     361
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-     366     365     368     391     366     365     368     369
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-     370     368     391     393     370     368     391     392
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-     371     373     376     375     371     370     368     391
-     372     371     373     382     372     371     373     376
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-     372     371     387     388     373     382     381     379
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-     373     376     375     374     373     371     387     391
-     373     371     387     389     373     371     387     388
-     374     383     384     385     374     383     384     386
-     374     383     378     379     374     382     373     376
-     374     382     381     379     374     375     376     377
-     375     376     373     382     375     374     383     384
-     375     374     383     378     375     374     382     381
-     376     375     374     383     376     375     374     382
-     376     373     371     387     376     373     382     381
-     377     376     373     382     378     383     384     385
-     378     383     384     386     378     383     374     382
-     378     379     381     382     379     378     383     384
-     380     379     378     383     380     379     381     382
-     381     382     374     383     381     379     378     383
-     382     374     383     384     382     373     371     387
-     387     391     393     394     388     387     391     393
-     388     387     391     392     388     387     389     390
-     389     387     391     393     389     387     391     392
-     390     389     387     391     391     393     394     395
-     391     393     394     396     391     393     394     397
-     392     391     393     394     393     394     397     398
-     394     397     398     401     394     397     398     399
-     394     397     398     400     395     394     397     398
-     396     394     397     398     397     398     401     403
-     397     398     401     425     397     398     401     402
-     398     401     403     404     398     401     425     421
-     398     401     425     427     398     401     425     426
-     399     398     401     403     399     398     401     425
-     399     398     401     402     400     398     401     403
-     400     398     401     425     400     398     401     402
-     401     425     421     404     401     425     421     423
-     401     425     421     422     401     425     427     428
-     401     403     404     406     401     403     404     421
-     401     403     404     405     402     401     403     404
-     402     401     425     421     402     401     425     427
-     402     401     425     426     403     404     406     407
-     403     404     406     419     403     404     421     425
-     403     404     421     423     403     404     421     422
-     403     401     425     421     403     401     425     427
-     403     401     425     426     404     421     425     427
-     404     421     425     426     404     421     423     424
-     404     406     407     411     404     406     407     417
-     404     406     419     420     404     406     419     418
-     404     403     401     425     405     404     406     407
-     405     404     406     419     405     404     421     425
-     405     404     421     423     405     404     421     422
-     406     419     418     417     406     407     411     412
-     406     407     417     415     406     407     417     418
-     406     404     421     425     406     404     421     423
-     406     404     421     422     407     417     415     413
-     407     417     415     416     407     417     418     419
-     407     411     412     408     407     411     412     413
-     407     406     404     421     407     406     419     420
-     407     406     419     418     408     412     413     414
-     408     412     413     415     409     408     412     413
-     409     408     412     411     410     408     412     413
-     410     408     412     411     411     412     413     414
-     411     412     413     415     411     407     406     419
-     411     407     417     415     411     407     417     418
-     412     413     415     417     412     413     415     416
-     412     411     407     417     413     415     417     418
-     414     413     415     417     414     413     415     416
-     415     417     418     419     416     415     417     418
-     417     418     419     420     417     407     406     419
-     419     406     404     421     421     425     427     428
-     422     421     425     427     422     421     425     426
-     422     421     423     424     423     421     425     427
-     423     421     425     426     424     423     421     425
-     425     427     428     429     425     427     428     430
-     425     427     428     431     426     425     427     428
-     427     428     431     432     428     431     432     435
-     428     431     432     433     428     431     432     434
-     429     428     431     432     430     428     431     432
-     431     432     435     437     431     432     435     459
-     431     432     435     436     432     435     437     438
-     432     435     459     455     432     435     459     461
-     432     435     459     460     433     432     435     437
-     433     432     435     459     433     432     435     436
-     434     432     435     437     434     432     435     459
-     434     432     435     436     435     459     455     438
-     435     459     455     457     435     459     455     456
-     435     459     461     462     435     437     438     440
-     435     437     438     455     435     437     438     439
-     436     435     437     438     436     435     459     455
-     436     435     459     461     436     435     459     460
-     437     438     440     441     437     438     440     453
-     437     438     455     459     437     438     455     457
-     437     438     455     456     437     435     459     455
-     437     435     459     461     437     435     459     460
-     438     455     459     461     438     455     459     460
-     438     455     457     458     438     440     441     445
-     438     440     441     451     438     440     453     454
-     438     440     453     452     438     437     435     459
-     439     438     440     441     439     438     440     453
-     439     438     455     459     439     438     455     457
-     439     438     455     456     440     453     452     451
-     440     441     445     446     440     441     451     449
-     440     441     451     452     440     438     455     459
-     440     438     455     457     440     438     455     456
-     441     451     449     447     441     451     449     450
-     441     451     452     453     441     445     446     442
-     441     445     446     447     441     440     438     455
-     441     440     453     454     441     440     453     452
-     442     446     447     448     442     446     447     449
-     443     442     446     447     443     442     446     445
-     444     442     446     447     444     442     446     445
-     445     446     447     448     445     446     447     449
-     445     441     440     453     445     441     451     449
-     445     441     451     452     446     447     449     451
-     446     447     449     450     446     445     441     451
-     447     449     451     452     448     447     449     451
-     448     447     449     450     449     451     452     453
-     450     449     451     452     451     452     453     454
-     451     441     440     453     453     440     438     455
-     455     459     461     462     456     455     459     461
-     456     455     459     460     456     455     457     458
-     457     455     459     461     457     455     459     460
-     458     457     455     459     459     461     462     463
-     459     461     462     464     459     461     462     465
-     460     459     461     462     461     462     465     466
-     462     465     466     469     462     465     466     467
-     462     465     466     468     463     462     465     466
-     464     462     465     466     465     466     469     471
-     465     466     469     492     465     466     469     470
-     466     469     471     472     466     469     492     488
-     466     469     492     494     466     469     492     493
-     467     466     469     471     467     466     469     492
-     467     466     469     470     468     466     469     471
-     468     466     469     492     468     466     469     470
-     469     492     488     472     469     492     488     490
-     469     492     488     489     469     492     494     495
-     469     471     472     474     469     471     472     488
-     469     471     472     473     470     469     471     472
-     470     469     492     488     470     469     492     494
-     470     469     492     493     471     472     474     483
-     471     472     474     477     471     472     488     492
-     471     472     488     490     471     472     488     489
-     471     469     492     488     471     469     492     494
-     471     469     492     493     472     488     492     494
-     472     488     492     493     472     488     490     491
-     472     474     483     482     472     474     483     475
-     472     474     477     478     472     474     477     476
-     472     471     469     492     473     472     474     483
-     473     472     474     477     473     472     488     492
-     473     472     488     490     473     472     488     489
-     474     483     482     480     474     483     475     484
-     474     483     475     476     474     477     476     475
-     474     472     488     492     474     472     488     490
-     474     472     488     489     475     484     485     486
-     475     484     485     487     475     484     479     480
-     475     483     474     477     475     483     482     480
-     475     476     477     478     476     477     474     483
-     476     475     484     485     476     475     484     479
-     476     475     483     482     477     476     475     484
-     477     476     475     483     477     474     472     488
-     477     474     483     482     478     477     474     483
-     479     484     485     486     479     484     485     487
-     479     484     475     483     479     480     482     483
-     480     479     484     485     481     480     479     484
-     481     480     482     483     482     483     475     484
-     482     480     479     484     483     475     484     485
-     483     474     472     488     488     492     494     495
-     489     488     492     494     489     488     492     493
-     489     488     490     491     490     488     492     494
-     490     488     492     493     491     490     488     492
-     492     494     495     496     492     494     495     497
-     492     494     495     498     493     492     494     495
-     494     495     498     499     495     498     499     502
-     495     498     499     500     495     498     499     501
-     496     495     498     499     497     495     498     499
-     498     499     502     504     498     499     502     525
-     498     499     502     503     499     502     504     505
-     499     502     525     521     499     502     525     527
-     499     502     525     526     500     499     502     504
-     500     499     502     525     500     499     502     503
-     501     499     502     504     501     499     502     525
-     501     499     502     503     502     525     521     505
-     502     525     521     523     502     525     521     522
-     502     504     505     507     502     504     505     521
-     502     504     505     506     503     502     504     505
-     503     502     525     521     503     502     525     527
-     503     502     525     526     504     505     507     510
-     504     505     507     508     504     505     521     525
-     504     505     521     523     504     505     521     522
-     504     502     525     521     504     502     525     527
-     504     502     525     526     505     521     525     527
-     505     521     525     526     505     521     523     524
-     505     507     510     512     505     507     510     511
-     505     507     508     509     505     507     508     516
-     505     504     502     525     506     505     507     510
-     506     505     507     508     506     505     521     525
-     506     505     521     523     506     505     521     522
-     507     510     512     513     507     510     512     514
-     507     508     516     514     507     508     516     517
-     507     505     521     525     507     505     521     523
-     507     505     521     522     508     516     514     512
-     508     516     514     515     508     516     517     518
-     508     516     517     519     508     516     517     520
-     508     507     505     521     508     507     510     512
-     508     507     510     511     509     508     507     510
-     509     508     516     514     509     508     516     517
-     510     512     514     516     510     512     514     515
-     510     507     505     521     510     507     508     516
-     511     510     512     513     511     510     512     514
-     512     514     516     517     513     512     514     516
-     513     512     514     515     514     516     517     518
-     514     516     517     519     514     516     517     520
-     515     514     516     517     522     521     525     527
-     522     521     525     526     522     521     523     524
-     523     521     525     527     523     521     525     526
-     524     523     521     525
-
-      43 !NIMPHI: impropers
-      23      18      14      24      24      23      25      26
-      49      46      51      50      53      51      55      54
-      55      53      47      56      84      79      86      85
-      87      86      82      88      88      87      89      90
-     115     110     117     116     118     117     113     119
-     119     118     120     121     144     141     146     145
-     148     146     150     149     150     148     142     151
-     184     179     175     185     185     184     186     187
-     209     210     213     211     213     212     214     209
-     216     214     218     217     244     241     246     245
-     248     246     250     249     250     248     242     251
-     277     274     279     278     281     279     283     282
-     283     281     275     284     317     312     308     318
-     318     317     319     320     343     340     345     344
-     347     345     349     348     349     347     341     350
-     383     378     374     384     384     383     385     386
-     408     409     412     410     412     411     413     408
-     415     413     417     416     442     443     446     444
-     446     445     447     442     449     447     451     450
-     484     479     475     485     485     484     486     487
-     510     507     512     511     514     512     516     515
-     516     514     508     517
+link 1ac7_ctrl.psf
\ No newline at end of file