@<TRIPOS>MOLECULE
BindingDB_16653
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.5813    2.4436   15.9333  C     
2    C        -6.3463    3.6112   15.7219  C     
3    C        -5.7596    4.7425   15.1188  C     
4    C        -4.4000    4.7380   14.7233  C     
5    C        -3.6562    3.5473   14.9144  C     
6    C        -4.2372    2.4201   15.5180  C     
7    S        -6.2488    1.0528   16.7419  S     
8    O        -6.0214   -0.1737   15.7670  O     
9    O        -5.4352    0.7330   18.0661  O     
10   N        -7.9036    1.0227   17.0174  N     
11   N        -3.9295    5.8961   14.1488  N     
12   O        -1.7402    5.6547   14.3030  O     
13   C        -2.6872    6.3296   13.9273  C     
14   C        -2.4236    7.5611   13.2958  C     
15   C        -2.9588    9.2754   11.5948  C     
16   C        -3.2736    8.0786   12.2764  C     
17   C        -1.2568    8.3150   13.6176  C     
18   C        -0.9379    9.5112   12.9320  C     
19   C        -1.7876    9.9854   11.9156  C     
20   F        -4.3521    7.4460   11.8897  F     
21   F        -3.7467    9.7284   10.6494  F     
22   F        -1.4932   11.0914   11.2731  F     
23   F         0.1455   10.1837   13.2316  F     
24   F        -0.4370    7.9559   14.5743  F     
25   H        -7.3297    3.6562   16.0128  H     
26   H        -6.3352    5.5841   14.9849  H     
27   H        -2.6909    3.4728   14.6058  H     
28   H        -3.6666    1.5846   15.6508  H     
29   H        -8.3648    0.1699   17.0170  H     
30   H        -8.4158    1.8431   17.0243  H     
31   H        -4.6279    6.5164   13.8983  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   13 am
    13   12   13 2
    14   13   14 1
    15   14   16 1
    16   14   17 2
    17   15   16 2
    18   15   19 1
    19   15   21 1
    20   16   20 1
    21   17   18 1
    22   17   24 1
    23   18   19 2
    24   18   23 1
    25   19   22 1
    26    2   25 1
    27    3   26 1
    28    5   27 1
    29    6   28 1
    30   10   29 1
    31   10   30 1
    32   11   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3800
  Crash		| -1.1598
  Polar		| 2.6761
  FragIndex	| 1
  FragRMSD	| 0.920