@<TRIPOS>MOLECULE
BindingDB_14789
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5800   45.0246   11.6648  C     
2    C        14.3226   45.4037   10.5477  C     
3    C        15.6573   45.3629   10.9748  C     
4    N        14.4350   44.8282   12.6801  N     
5    N        15.6540   45.0410   12.2942  N     
6    C        12.1215   44.8905   11.8114  C     
7    C        16.8533   45.6003   10.1263  C     
8    C        13.8209   45.8191    9.2926  C     
9    O        14.6451   46.2548    8.3143  O     
10   O        12.4746   45.9072    9.0779  O     
11   C        11.7624   46.4108    7.9422  C     
12   C        12.0334   45.6237    6.6412  C     
13   C        16.6903   45.0162   13.1958  C     
14   C        16.8107   43.9568   14.1237  C     
15   C        17.8758   43.8973   15.0555  C     
16   C        18.8129   44.9530   15.0583  C     
17   C        17.6272   46.0687   13.2651  C     
18   C        18.6851   46.0692   14.2050  C     
19   C        19.6526   47.1984   14.3199  C     
20   F        19.3481   48.3009   13.5591  F     
21   F        19.7191   47.6381   15.6220  F     
22   F        20.9069   46.7742   13.9402  F     
23   C        17.9581   42.7593   16.0138  C     
24   F        19.1180   42.7125   16.7477  F     
25   F        16.9176   42.8495   16.9081  F     
26   F        17.8724   41.5578   15.3479  F     
27   H        11.6384   45.8524   11.6211  H     
28   H        11.8639   44.5688   12.8231  H     
29   H        11.7493   44.1477   11.1030  H     
30   H        16.8273   44.9354    9.2601  H     
31   H        17.7849   45.4140   10.6718  H     
32   H        16.8510   46.6399    9.7885  H     
33   H        10.6966   46.3598    8.1661  H     
34   H        12.0243   47.4658    7.7921  H     
35   H        13.0720   45.7721    6.3303  H     
36   H        11.3650   45.9719    5.8494  H     
37   H        11.8525   44.5613    6.8089  H     
38   H        16.1061   43.2099   14.1215  H     
39   H        19.5797   44.9394   15.7357  H     
40   H        17.5120   46.8686   12.6369  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    6 1
     4    2    3 2
     5    2    8 1
     6    3    5 1
     7    3    7 1
     8    4    5 1
     9    5   13 1
    10    8    9 2
    11    8   10 1
    12   10   11 1
    13   11   12 1
    14   13   14 2
    15   13   17 1
    16   14   15 1
    17   15   16 2
    18   15   23 1
    19   16   18 1
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   19   21 1
    24   19   22 1
    25   23   24 1
    26   23   25 1
    27   23   26 1
    28    6   27 1
    29    6   28 1
    30    6   29 1
    31    7   30 1
    32    7   31 1
    33    7   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   12   37 1
    39   14   38 1
    40   16   39 1
    41   17   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4374
  Crash		| -1.3212
  Polar		| 1.1552
  FragIndex	| 1
  FragRMSD	| 0.363