@<TRIPOS>MOLECULE
BindingDB_13065
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7387    3.7291   15.5953  C     
2    C        17.1392    3.8892   15.6333  C     
3    C        17.7344    5.0957   15.2203  C     
4    C        15.5376    6.0025   14.6999  C     
5    C        14.9462    4.8021   15.1369  C     
6    C        16.9429    6.1567   14.7306  C     
7    C        18.7752    9.0935   14.5230  C     
8    C        18.1163    9.1710   13.3043  C     
9    C        17.3213    8.0349   13.2058  C     
10   N        17.5295    7.3259   14.3428  N     
11   N        18.3734    7.9535   15.1096  N     
12   C        19.7338   10.0736   15.0695  C     
13   F        20.1790    9.7122   16.3134  F     
14   F        20.8350   10.1771   14.2576  F     
15   F        19.1462   11.3068   15.1779  F     
16   O        15.1676    2.5248   15.9467  O     
17   C        14.7182    2.4837   17.3151  C     
18   C        16.5525    7.7003   12.0641  C     
19   C        14.9788    8.3451   10.3000  C     
20   C        15.7026    8.6577   11.4670  C     
21   C        16.6770    6.4261   11.4628  C     
22   C        15.9677    6.1206   10.2861  C     
23   C        15.1109    7.0748    9.7066  C     
24   Cl       14.2144    6.6906    8.3233  Cl    
25   H        17.7323    3.1197   15.9503  H     
26   H        18.7532    5.1926   15.2447  H     
27   H        14.9480    6.7796   14.3884  H     
28   H        13.9297    4.7140   15.1381  H     
29   H        18.2248    9.9059   12.6038  H     
30   H        15.5193    2.7244   18.0189  H     
31   H        14.3716    1.4757   17.5390  H     
32   H        13.8836    3.1728   17.4720  H     
33   H        14.3348    9.0318    9.9052  H     
34   H        15.6001    9.5874   11.8842  H     
35   H        17.3308    5.7348   11.8420  H     
36   H        16.0758    5.1996    9.8552  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1   16 1
     4    2    3 2
     5    3    6 1
     6    4    5 1
     7    4    6 2
     8    6   10 1
     9    7    8 1
    10    7   11 2
    11    7   12 1
    12    8    9 2
    13    9   10 1
    14    9   18 1
    15   10   11 1
    16   12   13 1
    17   12   14 1
    18   12   15 1
    19   16   17 1
    20   18   20 1
    21   18   21 2
    22   19   20 2
    23   19   23 1
    24   21   22 1
    25   22   23 2
    26   23   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    5   28 1
    31    8   29 1
    32   17   30 1
    33   17   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9289
  Crash		| -0.6357
  Polar		| 1.0333
  FragIndex	| 1
  FragRMSD	| 0.315