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


@<TRIPOS>ATOM
1    C        15.7371    5.5315   11.9695  C     
2    C        14.6658    5.7058   11.0881  C     
3    N        15.2412    5.3484   13.2031  N     
4    N        13.9444    5.3846   13.1597  N     
5    C        17.1810    5.5783   11.6937  C     
6    C        14.7347    5.9152    9.6878  C     
7    O        15.9279    5.8851    9.0514  O     
8    O        13.6041    6.1528    8.9642  O     
9    C        13.5163    6.3628    7.5454  C     
10   C        12.0573    6.6642    7.1498  C     
11   C        13.1934    5.2449   14.2889  C     
12   C        13.0959    3.9895   14.9215  C     
13   C        12.3035    3.8430   16.0724  C     
14   C        11.6370    4.9545   16.6337  C     
15   C        11.7376    6.2099   15.9997  C     
16   C        12.5215    6.3577   14.8413  C     
17   C        13.5214    5.6093   11.8935  C     
18   C        12.1115    5.6901   11.4289  C     
19   O        10.8274    4.8096   17.7275  O     
20   C        11.3056    5.3958   18.9601  C     
21   F        10.3975    5.0854   19.9465  F     
22   F        12.5185    4.8830   19.3643  F     
23   F        11.3888    6.7699   18.8886  F     
24   H        17.4416    4.8049   10.9730  H     
25   H        17.7574    5.4113   12.6068  H     
26   H        17.4468    6.5576   11.2902  H     
27   H        14.1461    7.2091    7.2521  H     
28   H        13.8637    5.4639    7.0234  H     
29   H        11.3921    5.8585    7.4728  H     
30   H        11.9785    6.7695    6.0648  H     
31   H        11.7356    7.5979    7.6172  H     
32   H        13.5988    3.1808   14.5498  H     
33   H        12.2102    2.9239   16.5070  H     
34   H        11.2592    7.0214   16.3918  H     
35   H        12.6052    7.2752   14.3931  H     
36   H        11.9197    6.6800   11.0157  H     
37   H        11.4038    5.5099   12.2371  H     
38   H        11.9412    4.9353   10.6590  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	| 6.4222
  Crash		| -0.1741
  Polar		| 1.1361
  FragIndex	| 1
  FragRMSD	| 0.090