@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.9555    7.2331   15.2719  C     
2    C        -1.4026    8.2203   16.1114  C     
3    C        -0.2941    8.9673   15.6726  C     
4    C         0.2662    8.7192   14.4079  C     
5    C        -0.2891    7.7324   13.5770  C     
6    F         0.2162    9.8979   16.4447  F     
7    C        -1.3979    6.9632   13.9944  C     
8    C        -1.9756    5.9547   13.0679  C     
9    N        -2.6382    4.8876   13.7571  N     
10   C        -3.9497    4.7246   13.9231  C     
11   O        -4.7056    5.5226   13.3778  O     
12   C        -4.4721    3.7114   14.7383  C     
13   C        -5.8764    3.5509   14.8788  C     
14   C        -3.6363    2.8258   15.4769  C     
15   C        -4.1827    1.8124   16.2889  C     
16   C        -5.5803    1.6727   16.4002  C     
17   C        -6.4224    2.5484   15.6942  C     
18   S        -6.2506    0.4066   17.3838  S     
19   O        -6.0877   -0.9297   16.5410  O     
20   O        -5.4374    0.2667   18.7421  O     
21   N        -7.8907    0.5879   17.7043  N     
22   H        -2.7775    6.7199   15.6057  H     
23   H        -1.8193    8.4039   17.0245  H     
24   H         1.0659    9.2607   14.0880  H     
25   H         0.1209    7.5795   12.6564  H     
26   H        -2.6321    6.4663   12.3649  H     
27   H        -1.1839    5.4886   12.4837  H     
28   H        -2.0529    4.2552   14.2028  H     
29   H        -6.5265    4.1610   14.3754  H     
30   H        -2.6213    2.8983   15.4353  H     
31   H        -3.5547    1.1883   16.7921  H     
32   H        -7.4365    2.4638   15.7579  H     
33   H        -8.3636   -0.1054   18.1864  H     
34   H        -8.3586    1.3876   17.4251  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3170
  Crash		| -1.0004
  Polar		| 2.2316
  FragIndex	| 1
  FragRMSD	| 0.895