@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.6915    7.9693   12.2535  C     
2    C        -8.1188    7.5648   13.5350  C     
3    C        -7.4298    8.0173   14.6744  C     
4    C        -6.3168    8.8685   14.5318  C     
5    C        -5.8937    9.2743   13.2476  C     
6    C        -6.5783    8.8276   12.0830  C     
7    C        -6.1657    9.1965   10.7012  C     
8    N        -7.2112    9.9107   10.0362  N     
9    C        -8.0907    9.4353    9.1573  C     
10   O        -8.1084    8.2261    8.9201  O     
11   C        -9.0394   10.2626    8.5580  C     
12   C       -10.2789    9.7469    8.1016  C     
13   C        -8.7834   11.6482    8.3417  C     
14   C        -9.7172   12.4635    7.6785  C     
15   C       -10.9359   11.9256    7.2180  C     
16   C       -11.2163   10.5658    7.4470  C     
17   S       -12.0542   12.9175    6.3231  S     
18   O       -11.2851   13.3808    5.0087  O     
19   O       -13.3748   12.1533    5.8660  O     
20   N       -12.4517   14.3325    7.1352  N     
21   F        -4.8552   10.0636   13.1539  F     
22   F        -5.6872    9.2673   15.6040  F     
23   H        -8.2091    7.6206   11.4393  H     
24   H        -8.9236    6.9439   13.6283  H     
25   H        -7.7400    7.7158   15.6037  H     
26   H        -5.2897    9.8493   10.7089  H     
27   H        -5.8702    8.2869   10.1727  H     
28   H        -7.3007   10.8496   10.2699  H     
29   H       -10.5138    8.7596    8.2371  H     
30   H        -7.8928   12.0620    8.6243  H     
31   H        -9.4893   13.4466    7.5095  H     
32   H       -12.0946   10.1505    7.1224  H     
33   H       -12.7702   15.0968    6.6217  H     
34   H       -12.5650   14.3158    8.1076  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    2   24 1
    26    3   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9177
  Crash		| -0.5319
  Polar		| 1.3726
  FragIndex	| 1
  FragRMSD	| 0.184