@<TRIPOS>MOLECULE
BindingDB_5469
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.8237   28.3864    8.1033  C     
2    C         2.3656   29.2569    6.4978  C     
3    C         0.2618   29.6673    8.2279  C     
4    C         0.7994   30.7084    7.4706  C     
5    C        -0.8340   31.4704    8.6723  C     
6    N        -0.7444   30.1597    8.9768  N     
7    N         0.0995   31.8091    7.7670  N     
8    N         1.8552   28.2266    7.2243  N     
9    N         1.8450   30.5113    6.6277  N     
10   O         0.3717   27.3013    8.7939  O     
11   N         3.3921   29.0080    5.6726  N     
12   C         1.2650   26.9166    9.8669  C     
13   C         1.0306   25.4407   10.3016  C     
14   C        -0.4181   24.9959   10.6846  C     
15   C        -1.4119   26.1717   10.9020  C     
16   C        -1.0082   23.9365    9.7008  C     
17   H        -1.5052   32.1251    9.0781  H     
18   H         0.2346   32.6951    7.3887  H     
19   H         3.8213   29.7347    5.1957  H     
20   H         3.7554   28.1080    5.5960  H     
21   H         2.3148   26.9812    9.5583  H     
22   H         1.1164   27.5703   10.7367  H     
23   H         1.4090   24.7908    9.5019  H     
24   H         1.6841   25.2600   11.1703  H     
25   H        -0.3407   24.4792   11.6526  H     
26   H        -0.9803   26.9009   11.5922  H     
27   H        -2.3445   25.8038   11.3240  H     
28   H        -1.6233   26.6664    9.9498  H     
29   H        -1.0913   24.3676    8.6971  H     
30   H        -2.0016   23.6227   10.0342  H     
31   H        -0.3675   23.0512    9.6583  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    8 2
     3    1   10 1
     4    2    8 1
     5    2    9 2
     6    2   11 1
     7    3    4 2
     8    3    6 1
     9    4    7 1
    10    4    9 1
    11    5    6 2
    12    5    7 1
    13   10   12 1
    14   12   13 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18    5   17 1
    19    7   18 1
    20   11   19 1
    21   11   20 1
    22   12   21 1
    23   12   22 1
    24   13   23 1
    25   13   24 1
    26   14   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4110
  Crash		| -0.2983
  Polar		| 4.1111
  FragIndex	| 1
  FragRMSD	| 0.498