@<TRIPOS>MOLECULE
BindingDB_7765
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.4074   52.3668   15.8708  C     
2    C        -8.7531   50.5137   14.3142  C     
3    C        -9.3057   50.3624   13.0569  C     
4    C        -8.8993   51.8585   14.6557  C     
5    N        -9.5512   52.4645   13.6612  N     
6    C        -9.8039   51.5826   12.7189  C     
7    O       -10.4415   51.8826   11.7195  O     
8    N        -9.7913   49.1141   11.1100  N     
9    C        -9.7134   48.0613   10.2426  C     
10   C        -9.6291   46.0208    8.2467  C     
11   C        -9.0210   45.8192    9.5086  C     
12   C        -9.0674   46.8285   10.4926  C     
13   C       -10.3423   48.2416    8.9906  C     
14   C       -10.3083   47.2297    8.0104  C     
15   O        -8.9360   45.5093    5.6534  O     
16   S        -9.5136   44.8326    6.9773  S     
17   O        -8.4187   43.7271    7.3063  O     
18   C        -7.7784   51.4766   16.7684  C     
19   C        -9.2888   49.2194   12.3413  C     
20   N       -10.9326   43.9834    6.6452  N     
21   C        -7.6481   50.1109   16.4460  C     
22   C        -8.1294   49.6223   15.2115  C     
23   C       -11.9721   44.4217    5.9020  C     
24   N       -13.0612   43.6414    5.8722  N     
25   N       -11.9842   45.5727    5.2046  N     
26   H        -8.5024   53.3552   16.0923  H     
27   H        -9.8360   53.3972   13.6552  H     
28   H       -10.2664   49.8903   10.7718  H     
29   H        -8.5355   44.9463    9.7156  H     
30   H        -8.6035   46.6467   11.3830  H     
31   H       -10.8274   49.1186    8.7722  H     
32   H       -10.7789   47.3927    7.1222  H     
33   H        -7.4122   51.8264   17.6574  H     
34   H        -8.8571   48.4299   12.7498  H     
35   H       -11.0297   43.1197    7.0703  H     
36   H        -7.2022   49.4739   17.1081  H     
37   H        -8.0316   48.6299   14.9902  H     
38   H       -13.8455   43.9117    5.3707  H     
39   H       -12.7767   45.8272    4.7066  H     
40   H       -11.2030   46.1459    5.1908  H     
41   H       -13.0761   42.8100    6.3737  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   22 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   23 1
    25   21   22 1
    26   23   24 2
    27   23   25 1
    28    1   26 1
    29    5   27 1
    30    8   28 1
    31   11   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   18   33 1
    36   19   34 1
    37   20   35 1
    38   21   36 1
    39   22   37 1
    40   24   38 1
    41   25   39 1
    42   25   40 1
    43   24   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7298
  Crash		| -0.8722
  Polar		| 2.3921
  FragIndex	| 1
  FragRMSD	| 0.387