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@<TRIPOS>MOLECULE
1a5g_00L_H_1
 42 45 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 N          15.8030  -11.7310   20.2580 N.am    1  UNL1       -0.1977
      2 C          14.3880  -11.6800   19.7870 C.3     1  UNL1        0.1615
      3 C          14.3520  -10.9100   18.4500 C.2     1  UNL1        0.2471
      4 O          13.2810  -10.5340   17.8590 O.2     1  UNL1       -0.2846
      5 C          13.4550  -10.9210   20.7580 C.3     1  UNL1        0.0335
      6 C          12.9150  -11.8770   21.7720 C.3     1  UNL1        0.0492
      7 C          12.1100  -11.3370   22.8370 C.3     1  UNL1        0.2205
      8 N          11.3720  -12.3250   23.5590 N.pl3   1  UNL1       -0.0865
      9 C          10.5880  -12.1520   24.5860 C.cat   1  UNL1        0.5346
     10 N          10.4390  -10.8990   25.0790 N.pl3   1  UNL1        0.1354
     11 N           9.8600  -13.1360   25.1200 N.pl3   1  UNL1        0.1354
     12 C          17.9370  -13.0140   20.9460 C.3     1  UNL1        0.1709
     13 C          14.2810  -12.2460   13.6500 C.2     1  UNL1       -0.0204
     14 N          19.1030  -15.1160   20.9130 N.3     1  UNL1       -0.2021
     15 N          14.7320  -12.3470   16.4930 N.am    1  UNL1       -0.1988
     16 O          16.3830  -14.0860   22.9910 O.2     1  UNL1       -0.2721
     17 O          16.5140  -11.1040   17.4890 O.2     1  UNL1       -0.2652
     18 C          19.1340  -12.9300   19.9920 C.3     1  UNL1        0.0499
     19 C          13.7470  -11.3090   12.7470 C.2     1  UNL1       -0.0042
     20 N          18.1770  -14.3160   21.6160 N.am    1  UNL1       -0.2129
     21 O          16.0150  -13.9840   20.0560 O.2     1  UNL1       -0.2715
     22 C          20.0460  -14.1410   20.3410 C.3     1  UNL1        0.0944
     23 C          12.4400  -11.5240   12.2560 C.2     1  UNL1       -0.0003
     24 N          16.1250  -16.7390   23.2510 N.3     1  UNL1       -0.1246
     25 C          19.6110  -16.2000   21.7990 C.3     1  UNL1        0.0941
     26 C          11.6740  -12.6230   12.7000 C.2     1  UNL1       -0.0000
     27 C          18.4750  -17.0050   22.4910 C.3     1  UNL1        0.0459
     28 C          12.2160  -13.5230   13.6610 C.2     1  UNL1       -0.0003
     29 C          17.5080  -16.1580   23.2780 C.3     1  UNL1        0.1519
     30 C          13.5280  -13.3270   14.1320 C.2     1  UNL1       -0.0042
     31 C          17.3450  -14.7490   22.6440 C.2     1  UNL1        0.2551
     32 C          15.7270  -12.0380   14.2340 C.3     1  UNL1        0.0498
     33 C          16.5330  -12.8940   20.3820 C.2     1  UNL1        0.2613
     34 C          15.7100  -12.9260   15.5360 C.3     1  UNL1        0.1202
     35 C          17.7600  -16.1380   24.8070 C.3     1  UNL1        0.0529
     36 C          15.3770  -11.4490   17.4510 C.2     1  UNL1        0.3014
     37 C          19.1990  -15.7640   25.1780 C.2     1  UNL1       -0.0203
     38 C          20.2050  -16.7560   25.2760 C.2     1  UNL1       -0.0042
     39 C          21.5340  -16.4000   25.5810 C.2     1  UNL1       -0.0003
     40 C          21.9080  -15.0910   25.8400 C.2     1  UNL1       -0.0000
     41 C          20.9110  -14.1170   25.8250 C.2     1  UNL1       -0.0003
     42 C          19.5940  -14.4370   25.4480 C.2     1  UNL1       -0.0042
@<TRIPOS>BOND
     1    23    26    2
     2    23    19    1
     3    26    28    1
     4    19    13    2
     5    13    30    1
     6    13    32    1
     7    28    30    2
     8    32    34    1
     9    34    15    1
    10    15    36    1
    11    36    17    2
    12    36     3    1
    13     4     3    2
    14     3     2    1
    15     2     1    1
    16     2     5    1
    17    18    22    1
    18    18    12    1
    19    21    33    2
    20     1    33    1
    21    22    14    1
    22    33    12    1
    23     5     6    1
    24    14    20    1
    25    14    25    1
    26    12    20    1
    27    20    31   am
    28     6     7    1
    29    25    27    1
    30    27    29    1
    31    31    16    2
    32    31    29    1
    33     7     8    1
    34    24    29    1
    35    29    35    1
    36     8     9    2
    37     9    10    1
    38     9    11    1
    39    35    37    1
    40    37    38    2
    41    37    42    1
    42    38    39    1
    43    42    41    2
    44    39    40    2
    45    41    40    1