@<TRIPOS>MOLECULE
BindingDB_14787
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5438   45.5835   11.0428  C     
2    C        14.2613   45.3707   10.5117  C     
3    C        13.6032   44.5953   11.4689  C     
4    N        14.4595   44.3740   12.4766  N     
5    N        15.6038   44.9443   12.2391  N     
6    C        13.7495   45.8421    9.2810  C     
7    O        14.5834   46.2087    8.2852  O     
8    O        12.4158   46.0276    9.0955  O     
9    C        11.7189   46.5570    7.9638  C     
10   C        12.0667   45.8564    6.6316  C     
11   C        16.6592   44.8142   13.1148  C     
12   C        17.9616   44.5616   12.6152  C     
13   C        19.0606   44.3877   13.4805  C     
14   C        18.8834   44.4694   14.8708  C     
15   C        16.4893   44.8913   14.5245  C     
16   C        17.6016   44.7233   15.3998  C     
17   C        17.4023   44.8369   16.7945  C     
18   C        16.1293   45.1377   17.3042  C     
19   C        15.0543   45.2873   16.4095  C     
20   N        15.2718   45.1667   15.0721  N     
21   C        12.2336   44.0473   11.4569  C     
22   C        16.6038   46.4262   10.4407  C     
23   H        10.6468   46.4522    8.1448  H     
24   H        11.9349   47.6250    7.8738  H     
25   H        13.1300   45.9855    6.3995  H     
26   H        11.4726   46.2700    5.8219  H     
27   H        11.8515   44.7829    6.7203  H     
28   H        18.1129   44.5165   11.6040  H     
29   H        19.9838   44.1822   13.0965  H     
30   H        19.6971   44.3403   15.4859  H     
31   H        18.1815   44.7184   17.4457  H     
32   H        15.9844   45.2547   18.3112  H     
33   H        14.1169   45.4981   16.7533  H     
34   H        11.5069   44.8675   11.4332  H     
35   H        12.0649   43.4517   12.3535  H     
36   H        12.1025   43.4031   10.5816  H     
37   H        16.9241   45.9721    9.4910  H     
38   H        17.4667   46.4871   11.1119  H     
39   H        16.2260   47.4342   10.2627  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   22 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   21 1
     8    4    5 1
     9    5   11 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   11   12 2
    15   11   15 1
    16   12   13 1
    17   13   14 2
    18   14   16 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    9   23 1
    26    9   24 1
    27   10   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1505
  Crash		| -0.8005
  Polar		| 1.1367
  FragIndex	| 1
  FragRMSD	| 0.565