@<TRIPOS>MOLECULE
BindingDB_14774
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.8864   29.4562   51.0567  C     
2    C        14.3659   29.2805   52.3814  C     
3    C        14.2038   28.0584   53.0936  C     
4    C        13.5171   27.0109   52.4286  C     
5    C        13.1070   27.1428   51.0874  C     
6    C        13.3178   28.3505   50.3884  C     
7    O        12.9015   28.4694   49.0863  O     
8    O        13.9818   30.6333   50.3491  O     
9    C        14.0694   31.8706   51.0827  C     
10   C        14.0589   33.0629   50.0948  C     
11   C        12.7479   33.7898   49.7374  C     
12   C        13.7147   34.4238   50.7361  C     
13   C        13.8538   28.0578   48.0765  C     
14   F        15.1096   28.5939   48.2684  F     
15   F        13.9397   26.6858   47.9978  F     
16   C        14.7179   27.8920   54.3911  C     
17   O        15.5807   28.6699   54.8052  O     
18   N        14.2444   26.9747   55.2325  N     
19   C        14.5501   26.8094   56.5551  C     
20   C        15.9680   25.9973   58.3645  C     
21   C        13.8853   27.0006   58.8992  C     
22   C        13.6180   27.2384   57.5352  C     
23   C        15.7471   26.1751   56.9872  C     
24   Cl       16.8995   25.5659   55.9036  Cl    
25   Cl       12.2115   28.1058   57.1389  Cl    
26   N        15.0394   26.3971   59.2708  N     
27   H        14.8299   30.0697   52.8332  H     
28   H        13.3459   26.1249   52.9080  H     
29   H        12.6391   26.3579   50.6344  H     
30   H        13.2311   31.9702   51.7834  H     
31   H        15.0044   31.8905   51.6479  H     
32   H        14.8567   33.1352   49.3543  H     
33   H        12.6984   34.2891   48.7688  H     
34   H        11.8261   33.4286   50.1945  H     
35   H        13.3153   34.4381   51.7556  H     
36   H        14.2522   35.3033   50.3742  H     
37   H        13.4888   28.4105   47.1097  H     
38   H        13.4931   26.4516   54.9127  H     
39   H        16.8277   25.5548   58.6994  H     
40   H        13.2274   27.2890   59.6282  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    8 1
     4    2    3 2
     5    3    4 1
     6    3   16 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7   13 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   10   12 1
    15   11   12 1
    16   13   14 1
    17   13   15 1
    18   16   17 2
    19   16   18 am
    20   18   19 1
    21   19   22 2
    22   19   23 1
    23   20   23 2
    24   20   26 1
    25   21   22 1
    26   21   26 2
    27   22   25 1
    28   23   24 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   18   38 1
    41   20   39 1
    42   21   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8057
  Crash		| -0.8190
  Polar		| 2.1316
  FragIndex	| 1
  FragRMSD	| 0.122