@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6487    6.6837   12.9423  C     
2    C        -0.6713    7.6061   13.3651  C     
3    C        -0.1734    8.5637   12.4672  C     
4    C        -0.6458    8.5984   11.1419  C     
5    C        -1.6147    7.6601   10.7172  C     
6    C        -2.1379    6.6879   11.6104  C     
7    C        -3.1643    5.7176   11.1215  C     
8    N        -3.6301    4.7797   12.1038  N     
9    C        -4.8724    4.5887   12.5428  C     
10   O        -5.7802    5.2687   12.0749  O     
11   C        -5.1476    3.6811   13.5768  C     
12   C        -6.4002    3.6951   14.2473  C     
13   C        -4.1897    2.7239   14.0188  C     
14   C        -4.4745    1.8269   15.0613  C     
15   C        -5.7286    1.8515   15.7025  C     
16   C        -6.6848    2.8006   15.2923  C     
17   S        -6.0819    0.7028   16.9601  S     
18   O        -5.9932   -0.7333   16.2881  O     
19   O        -4.9688    0.8012   18.0890  O     
20   N        -7.6071    0.8325   17.6535  N     
21   F        -2.0321    7.7194    9.4790  F     
22   F         0.7295    9.4176   12.8753  F     
23   F        -0.1758    9.4932   10.3110  F     
24   H        -1.9856    6.0048   13.6252  H     
25   H        -0.3259    7.5784   14.3279  H     
26   H        -3.9931    6.2894   10.6974  H     
27   H        -2.7220    5.1361   10.3080  H     
28   H        -2.9380    4.2371   12.5099  H     
29   H        -7.1279    4.3675   13.9865  H     
30   H        -3.2717    2.6529   13.5754  H     
31   H        -3.7634    1.1485   15.3452  H     
32   H        -7.5915    2.8522   15.7547  H     
33   H        -7.8559    0.2221   18.3632  H     
34   H        -8.1458    1.6235   17.4961  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 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    1   24 1
    26    2   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	| 4.2496
  Crash		| -0.6237
  Polar		| 3.7831
  FragIndex	| 1
  FragRMSD	| 0.841