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


@<TRIPOS>ATOM
1    C        -1.6880    7.8006   15.2188  C     
2    C        -0.9870    8.6186   16.1284  C     
3    C        -0.9254   10.0083   15.9226  C     
4    C        -1.5718   10.5815   14.8125  C     
5    C        -2.2938    9.7654   13.9148  C     
6    C        -2.3697    8.3608   14.1077  C     
7    C        -3.0752    7.4778   13.1301  C     
8    N        -3.6497    6.2819   13.6749  N     
9    C        -4.6432    6.2083   14.5545  C     
10   O        -5.2196    7.2429   14.8777  O     
11   C        -5.0311    4.9945   15.1397  C     
12   C        -4.1901    3.8480   15.0994  C     
13   C        -6.2616    4.8637   15.8376  C     
14   C        -6.6555    3.6464   16.4201  C     
15   C        -5.8237    2.5142   16.3370  C     
16   C        -4.5776    2.6275   15.6892  C     
17   S        -6.2915    1.0116   17.0755  S     
18   O        -5.9821   -0.1822   16.0680  O     
19   O        -5.4529    0.7580   18.4041  O     
20   N        -7.9345    0.8764   17.3843  N     
21   F        -2.8700   10.3333   12.8895  F     
22   F        -1.4813   11.8730   14.6272  F     
23   H        -1.6927    6.7923   15.3731  H     
24   H        -0.5197    8.2045   16.9342  H     
25   H        -0.3990   10.5939   16.5761  H     
26   H        -3.8609    8.0207   12.6042  H     
27   H        -2.3425    7.1801   12.3781  H     
28   H        -3.2738    5.4418   13.3674  H     
29   H        -3.2672    3.8939   14.6585  H     
30   H        -6.8955    5.6613   15.9273  H     
31   H        -7.5535    3.5996   16.9071  H     
32   H        -3.9420    1.8262   15.6437  H     
33   H        -8.3366   -0.0096   17.3643  H     
34   H        -8.5059    1.6538   17.2607  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	| 6.4259
  Crash		| -1.1059
  Polar		| 2.8541
  FragIndex	| 1
  FragRMSD	| 0.848