@<TRIPOS>MOLECULE
1a5b_IGP_A_1
 19 20 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 C          50.3300   27.3370   14.7010 C.2     1  UNL1        0.0138
      2 C          51.4160   27.9240   15.1840 C.3     1  UNL1        0.1502
      3 C          50.6660   25.9280   14.4880 C.2     1  UNL1        0.0136
      4 C          51.9960   25.7800   14.9010 C.2     1  UNL1        0.0759
      5 C          49.9610   24.7620   14.0050 C.2     1  UNL1        0.0010
      6 N          52.4360   26.9350   15.3060 N.2     1  UNL1       -0.2659
      7 C          52.6810   24.5580   14.8720 C.2     1  UNL1        0.0187
      8 C          50.6770   23.5030   13.9890 C.2     1  UNL1        0.0001
      9 C          52.0090   23.4160   14.4040 C.2     1  UNL1        0.0015
     10 P          47.7240   29.1730    9.6450 P.3     1  UNL1        0.5327
     11 C          47.6220   28.6690   12.2510 C.3     1  UNL1        0.1894
     12 C          48.9790   28.1750   12.7770 C.3     1  UNL1        0.2160
     13 O          50.0340   29.0180   12.3100 O.3     1  UNL1       -0.2173
     14 C          49.0430   28.0650   14.3080 C.3     1  UNL1        0.2049
     15 O          47.8910   27.3730   14.8460 O.3     1  UNL1       -0.2157
     16 O          49.0270   30.0110    9.9090 O.3     1  UNL1       -0.1145
     17 O          46.4620   30.1750    9.4850 O.3     1  UNL1       -0.1145
     18 O          47.7810   28.4350    8.3050 O.2     1  UNL1       -0.2224
     19 O          47.4280   28.1810   10.8610 O.3     1  UNL1       -0.2674
@<TRIPOS>BOND
     1    18    10    2
     2    17    10    1
     3    10    16    1
     4    10    19    1
     5    19    11    1
     6    11    12    1
     7    13    12    1
     8    12    14    1
     9     8     5    2
    10     8     9    1
    11     5     3    1
    12    14     1    1
    13    14    15    1
    14     9     7    2
    15     3     1    2
    16     3     4    1
    17     1     2    1
    18     7     4    1
    19     4     6    2
    20     2     6    1