@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7667    8.1008   15.5794  C     
2    C        -1.4076    9.1909   16.4027  C     
3    C        -0.2695    9.9645   16.1080  C     
4    C         0.5058    9.6602   14.9783  C     
5    C         0.1654    8.5669   14.1604  C     
6    C        -0.9642    7.7507   14.4599  C     
7    C        -1.2994    6.6008   13.5697  C     
8    N        -2.1526    5.6085   14.1668  N     
9    C        -3.4641    5.4702   14.0041  C     
10   O        -4.0466    6.2690   13.2694  O     
11   C        -4.2118    4.5021   14.6896  C     
12   C        -5.6260    4.5967   14.7830  C     
13   C        -3.5941    3.4014   15.3422  C     
14   C        -4.3458    2.4644   16.0790  C     
15   C        -5.7414    2.5986   16.1809  C     
16   C        -6.3799    3.6684   15.5277  C     
17   S        -6.6674    1.4413   17.0953  S     
18   O        -8.2411    1.6647   17.0922  O     
19   O        -6.4727    0.0465   16.3575  O     
20   N        -6.1105    1.1554   18.6532  N     
21   F         0.9196    8.3355   13.1156  F     
22   F         0.0539   10.9765   16.8640  F     
23   F        -2.8759    7.4593   15.8605  F     
24   H        -1.9839    9.4345   17.2143  H     
25   H         1.3185   10.2360   14.7525  H     
26   H        -1.7189    6.9974   12.6458  H     
27   H        -0.3816    6.0711   13.3058  H     
28   H        -1.7246    5.0183   14.8018  H     
29   H        -6.1360    5.3554   14.3189  H     
30   H        -2.5857    3.2539   15.2789  H     
31   H        -3.8599    1.6911   16.5430  H     
32   H        -7.3929    3.7881   15.5953  H     
33   H        -5.7154    0.2977   18.8750  H     
34   H        -6.2611    1.8154   19.3500  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   24 1
    26    4   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	| 4.7786
  Crash		| -1.3719
  Polar		| 2.1924
  FragIndex	| 1
  FragRMSD	| 0.850