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


@<TRIPOS>ATOM
1    C        -1.6551    7.5889   10.6992  C     
2    C        -0.6402    8.4598   11.1507  C     
3    C        -0.1314    8.3319   12.4559  C     
4    C        -0.6433    7.3386   13.3126  C     
5    C        -1.6620    6.4743   12.8581  C     
6    F         0.8138    9.1366   12.8823  F     
7    C        -2.1758    6.5863   11.5442  C     
8    C        -3.2425    5.7014   11.0112  C     
9    N        -3.6997    4.7223   11.9455  N     
10   C        -4.9125    4.5963   12.4857  C     
11   O        -5.8099    5.3388   12.0926  O     
12   C        -5.1728    3.6818   13.5152  C     
13   C        -6.3979    3.7260   14.2369  C     
14   C        -4.2129    2.7159   13.9265  C     
15   C        -4.4832    1.8145   14.9724  C     
16   C        -5.7217    1.8461   15.6369  C     
17   C        -6.6616    2.8304   15.2891  C     
18   S        -6.0615    0.7003   16.9056  S     
19   O        -5.9330   -0.7247   16.2172  O     
20   O        -4.9979    0.7463   18.0834  O     
21   N        -7.6291    0.7398   17.5017  N     
22   H        -1.9985    7.7034    9.7469  H     
23   H        -0.2676    9.1855   10.5246  H     
24   H        -0.2736    7.2392   14.2635  H     
25   H        -2.0158    5.7621   13.4995  H     
26   H        -4.0592    6.3225   10.6480  H     
27   H        -2.8545    5.1663   10.1482  H     
28   H        -3.0218    4.1092   12.2571  H     
29   H        -7.1176    4.4178   14.0125  H     
30   H        -3.3069    2.6394   13.4643  H     
31   H        -3.7738    1.1188   15.2255  H     
32   H        -7.5577    2.8960   15.7814  H     
33   H        -8.0911   -0.0933   17.7009  H     
34   H        -8.0987    1.5848   17.5930  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	| 3.9929
  Crash		| -0.5689
  Polar		| 3.6055
  FragIndex	| 1
  FragRMSD	| 0.850