@<TRIPOS>MOLECULE
BindingDB_14791
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5243   45.1533   11.5974  C     
2    C        14.2789   45.3903   10.4476  C     
3    N        14.3785   44.8405   12.5809  N     
4    N        15.6020   44.8443   12.1448  N     
5    C        12.0698   45.2582   11.7957  C     
6    C        13.8077   45.8675    9.2007  C     
7    O        14.6675   46.3517    8.2744  O     
8    O        12.4722   45.9722    8.9682  O     
9    C        11.7853   46.5328    7.8408  C     
10   C        12.0487   45.7741    6.5226  C     
11   C        16.6486   44.6779   13.0175  C     
12   C        16.5245   43.8316   14.1452  C     
13   C        17.5666   43.7108   15.0834  C     
14   C        18.7565   44.4468   14.9186  C     
15   C        18.8975   45.2924   13.8008  C     
16   C        17.8478   45.4192   12.8700  C     
17   C        15.6038   45.1343   10.8192  C     
18   C        16.7709   45.1400    9.9079  C     
19   O        19.7783   44.2905   15.8165  O     
20   C        19.8823   45.3173   16.8260  C     
21   F        20.9036   44.9527   17.6713  F     
22   F        20.2144   46.5463   16.2880  F     
23   F        18.7396   45.4452   17.5925  F     
24   H        11.7348   46.2774   11.5866  H     
25   H        11.8063   45.0102   12.8222  H     
26   H        11.5572   44.5663   11.1293  H     
27   H        10.7163   46.4915    8.0587  H     
28   H        12.0628   47.5864    7.7293  H     
29   H        13.0917   45.8984    6.2190  H     
30   H        11.4011   46.1641    5.7289  H     
31   H        11.8352   44.7118    6.6592  H     
32   H        15.6672   43.2948   14.2895  H     
33   H        17.4543   43.0902   15.8854  H     
34   H        19.7637   45.8236   13.6674  H     
35   H        17.9569   46.0833   12.1010  H     
36   H        16.5431   44.5778    9.0010  H     
37   H        17.6482   44.6827   10.3668  H     
38   H        17.0115   46.1680    9.6310  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   20   21 1
    23   20   22 1
    24   20   23 1
    25    5   24 1
    26    5   25 1
    27    5   26 1
    28    9   27 1
    29    9   28 1
    30   10   29 1
    31   10   30 1
    32   10   31 1
    33   12   32 1
    34   13   33 1
    35   15   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   18   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1261
  Crash		| -0.7574
  Polar		| 1.1530
  FragIndex	| 1
  FragRMSD	| 0.242