@<TRIPOS>MOLECULE
BindingDB_11931
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3591    7.1660   15.0014  C     
2    N        -4.1866    7.0042   13.8593  N     
3    S        -4.3174    5.5493   13.0094  S     
4    O        -3.1214    5.3760   11.9728  O     
5    O        -5.6429    5.6476   12.1351  O     
6    C        -4.5748    4.1569   14.0109  C     
7    C        -5.4472    2.4194   15.6710  C     
8    C        -4.1988    2.1152   15.1263  C     
9    C        -3.7182    3.0684   14.2149  C     
10   S        -5.9589    3.9151   14.9955  S     
11   N        -7.6401    2.3295   17.4704  N     
12   S        -6.2379    1.5611   16.9530  S     
13   O        -6.6906    0.1379   16.4081  O     
14   O        -5.1913    1.3329   18.1292  O     
15   C        -2.3938    8.2736   14.8642  C     
16   C        -1.4461    8.6378   15.8272  C     
17   C        -0.6338    9.7305   15.4842  C     
18   C        -0.9026   10.2803   14.2289  C     
19   S        -2.1882    9.3647   13.5436  S     
20   H        -3.9988    7.3734   15.8629  H     
21   H        -2.8020    6.2519   15.2158  H     
22   H        -4.7307    7.7570   13.5702  H     
23   H        -3.6665    1.2879   15.3976  H     
24   H        -2.8066    2.9840   13.7594  H     
25   H        -8.3431    1.7970   17.8813  H     
26   H        -7.8436    3.2158   17.1428  H     
27   H        -1.3402    8.1391   16.7123  H     
28   H         0.1003   10.0880   16.0947  H     
29   H        -0.4120   11.0709   13.8040  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   15 1
     3    2    3 1
     4    3    4 2
     5    3    5 2
     6    3    6 1
     7    6    9 2
     8    6   10 1
     9    7    8 2
    10    7   10 1
    11    7   12 1
    12    8    9 1
    13   11   12 am
    14   12   13 2
    15   12   14 2
    16   15   16 2
    17   15   19 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21    1   20 1
    22    1   21 1
    23    2   22 1
    24    8   23 1
    25    9   24 1
    26   11   25 1
    27   11   26 1
    28   16   27 1
    29   17   28 1
    30   18   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4021
  Crash		| -1.0509
  Polar		| 4.3838
  FragIndex	| 1
  FragRMSD	| 1.342