@<TRIPOS>MOLECULE
BindingDB_13435
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.7356   14.0474   16.1319  C     
2    C        43.1561   15.0169   15.2925  C     
3    C        42.1569   14.6617   14.3633  C     
4    C        41.7236   13.3177   14.3147  C     
5    N        41.5928   15.6310   13.6069  N     
6    O        41.0024   16.8607   11.1953  O     
7    S        42.1113   15.9050   12.0266  S     
8    O        43.5655   16.7596   12.0959  O     
9    O        42.3927   14.4788   11.1675  O     
10   C        42.2679   12.3375   15.1807  C     
11   C        43.2897   12.7073   16.0849  C     
12   C        41.7287   10.9456   15.1921  C     
13   C        43.8372   11.6699   16.9824  C     
14   C        42.7166   10.7213   17.5100  C     
15   N        41.8696   10.1772   16.4342  N     
16   C        41.9102   11.3664   18.5462  C     
17   O        40.9208   12.0081   18.2061  O     
18   N        42.2758   11.2994   19.8246  N     
19   C        41.5805   11.9006   20.9142  C     
20   C        41.2666    8.9684   16.5888  C     
21   O        41.3402    8.4051   17.6763  O     
22   C        40.6314    8.1899   15.6081  C     
23   C        39.7697    8.7214   14.6148  C     
24   C        39.1847    7.8942   13.6345  C     
25   C        39.3840    6.5042   13.6644  C     
26   C        40.1650    5.9424   14.6852  C     
27   C        40.7788    6.7749   15.6461  C     
28   H        44.4607   14.3263   16.7956  H     
29   H        43.4777   15.9850   15.3626  H     
30   H        40.9594   13.0663   13.6778  H     
31   H        41.3125   16.4166   14.0827  H     
32   H        40.6661   11.0399   14.9635  H     
33   H        42.1984   10.3902   14.3720  H     
34   H        44.5588   11.0847   16.4041  H     
35   H        44.3896   12.1121   17.8217  H     
36   H        43.2832    9.9023   17.9673  H     
37   H        43.0916   10.8141   20.0382  H     
38   H        41.4978   12.9785   20.7757  H     
39   H        42.1311   11.7046   21.8343  H     
40   H        40.5777   11.4728   21.0079  H     
41   H        39.5303    9.7189   14.5976  H     
42   H        38.5864    8.2918   12.9034  H     
43   H        38.9475    5.9014   12.9587  H     
44   H        40.2826    4.9282   14.7357  H     
45   H        41.3556    6.3404   16.3712  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 1
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 2
    25   22   27 1
    26   23   24 1
    27   24   25 2
    28   25   26 1
    29   26   27 2
    30    1   28 1
    31    2   29 1
    32    4   30 1
    33    5   31 1
    34   12   32 1
    35   12   33 1
    36   13   34 1
    37   13   35 1
    38   14   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   19   40 1
    43   23   41 1
    44   24   42 1
    45   25   43 1
    46   26   44 1
    47   27   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6837
  Crash		| -1.7138
  Polar		| 5.7690
  FragIndex	| 1
  FragRMSD	| 1.088