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


@<TRIPOS>ATOM
1    C        -1.3738    5.8566   15.0422  C     
2    C        -0.9750    6.7355   16.0664  C     
3    C        -1.1677    8.1226   15.9184  C     
4    C        -1.7760    8.6252   14.7531  C     
5    C        -2.1856    7.7406   13.7279  C     
6    C        -1.9772    6.3413   13.8583  C     
7    C        -2.3918    5.3732   12.8100  C     
8    N        -3.4061    4.5268   13.3578  N     
9    C        -3.4297    3.1995   13.3873  C     
10   O        -2.5836    2.5811   12.7480  O     
11   C        -4.3650    2.5043   14.1694  C     
12   C        -5.3984    3.1746   14.8778  C     
13   C        -4.2770    1.0944   14.3260  C     
14   C        -5.1565    0.3925   15.1711  C     
15   C        -6.1532    1.0875   15.8851  C     
16   C        -6.2750    2.4802   15.7261  C     
17   S        -7.1820    0.2400   16.9969  S     
18   O        -8.5276    1.0370   17.2678  O     
19   O        -7.5072   -1.1723   16.3519  O     
20   N        -6.3860   -0.0668   18.4407  N     
21   F        -2.7761    8.2356   12.6699  F     
22   F        -1.9475    9.9167   14.6344  F     
23   H        -1.2242    4.8517   15.1643  H     
24   H        -0.5402    6.3673   16.9141  H     
25   H        -0.8573    8.7568   16.6570  H     
26   H        -2.8212    5.8663   11.9408  H     
27   H        -1.5038    4.8299   12.4826  H     
28   H        -4.1223    4.9920   13.8197  H     
29   H        -5.5283    4.1849   14.8013  H     
30   H        -3.5533    0.5547   13.8413  H     
31   H        -5.0483   -0.6212   15.2802  H     
32   H        -6.9884    3.0079   16.2365  H     
33   H        -6.8044   -0.6556   19.0917  H     
34   H        -5.6577    0.5168   18.7150  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	| 3.4385
  Crash		| -1.4170
  Polar		| 1.6289
  FragIndex	| 1
  FragRMSD	| 1.236