@<TRIPOS>MOLECULE
BindingDB_7761
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.8391  206.8296  110.0232  C     
2    C       -13.8022  206.9698  111.4075  C     
3    C       -12.4856  207.3457  111.1652  C     
4    C       -14.4661  207.0936  110.1791  C     
5    N       -13.5821  207.4912  109.2630  N     
6    C       -12.4083  207.6244  109.8335  C     
7    O       -11.4408  208.0274  109.2020  O     
8    N       -10.2432  207.8274  111.7661  N     
9    C        -9.2818  208.3739  112.5586  C     
10   C        -7.1458  209.4455  114.1104  C     
11   C        -8.4515  209.3706  114.6436  C     
12   C        -9.5112  208.8408  113.8748  C     
13   C        -7.9818  208.4966  112.0224  C     
14   C        -6.9235  209.0209  112.7845  C     
15   O        -4.4021  210.1678  114.4206  O     
16   S        -5.8430  210.0638  115.0907  S     
17   O        -6.2781  211.5785  115.3011  O     
18   C       -16.5724  206.3865  111.1454  C     
19   C       -11.5027  207.5143  112.0794  C     
20   N        -5.7708  209.4321  116.6556  N     
21   C       -15.9183  206.2329  112.3837  C     
22   C       -15.6295  205.7862  114.5143  C     
23   C       -14.5505  206.5263  112.5287  C     
24   S       -14.0221  206.2387  114.1547  S     
25   N       -16.4865  205.8096  113.5209  N     
26   C        -5.6665  208.1504  116.9739  C     
27   O        -5.6277  207.8980  118.1714  O     
28   C        -5.6033  207.0530  116.0260  C     
29   H       -16.2936  206.9541  109.1189  H     
30   H       -13.7808  207.6546  108.3258  H     
31   H        -9.9604  207.6218  110.8604  H     
32   H        -8.6401  209.6990  115.5946  H     
33   H       -10.4491  208.8077  114.2816  H     
34   H        -7.7982  208.1965  111.0619  H     
35   H        -5.9901  209.0860  112.3703  H     
36   H       -17.5715  206.1817  111.0541  H     
37   H       -11.7240  207.4012  113.0377  H     
38   H        -5.8115  210.0707  117.3855  H     
39   H       -15.9063  205.5039  115.4246  H     
40   H        -6.5022  207.0477  115.4041  H     
41   H        -5.5367  206.0851  116.5317  H     
42   H        -4.7289  207.1696  115.3841  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   23 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   21 2
    24   20   26 am
    25   21   23 1
    26   21   25 1
    27   22   24 1
    28   22   25 2
    29   23   24 1
    30   26   27 2
    31   26   28 1
    32    1   29 1
    33    5   30 1
    34    8   31 1
    35   11   32 1
    36   12   33 1
    37   13   34 1
    38   14   35 1
    39   18   36 1
    40   19   37 1
    41   20   38 1
    42   22   39 1
    43   28   40 1
    44   28   41 1
    45   28   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8322
  Crash		| -0.6024
  Polar		| 4.6960
  FragIndex	| 1
  FragRMSD	| 0.165