@<TRIPOS>MOLECULE
BindingDB_14142
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.8078    1.8255   25.6626  C     
2    C         8.6255    0.6624   24.8616  C     
3    C         8.7751    0.8013   23.4515  C     
4    C         9.0741    2.0400   22.8519  C     
5    C         9.1175    3.0585   25.0533  C     
6    C         9.2325    3.1670   23.6727  C     
7    C         9.5740    5.2099   24.4819  C     
8    N         9.4968    4.4490   23.3651  N     
9    C         8.3182   -0.6100   25.4467  C     
10   N         7.8029   -0.7604   26.6816  N     
11   N         8.5310   -1.7703   24.7931  N     
12   C         9.8289    6.6286   24.5140  C     
13   C        10.3091    9.4382   24.6627  C     
14   C        10.5162    8.7732   23.4305  C     
15   C        10.2660    7.3707   23.3744  C     
16   C         9.6284    7.3546   25.7146  C     
17   C         9.8631    8.7360   25.7931  C     
18   C        10.9365    9.5205   22.2826  C     
19   C        10.6191   11.4081   20.7378  C     
20   C        11.7218   10.9906   19.9727  C     
21   C        12.4412    9.8480   20.3619  C     
22   C        12.0565    9.1288   21.5101  C     
23   C        10.2267   10.6775   21.8768  C     
24   O        10.4470    6.7482   22.1859  O     
25   C         9.3492    4.3355   25.5623  C     
26   H         8.7391    1.7825   26.6827  H     
27   H         8.6417   -0.0017   22.8339  H     
28   H         9.1705    2.1139   21.8369  H     
29   H         9.6178    4.7745   22.4614  H     
30   H         7.6178   -1.6595   27.0006  H     
31   H         8.3357   -2.6177   25.2268  H     
32   H         8.9077   -1.7686   23.8960  H     
33   H        10.4890   10.4398   24.7580  H     
34   H         9.3044    6.8960   26.5644  H     
35   H         9.7243    9.2256   26.6793  H     
36   H        10.0999   12.2404   20.4610  H     
37   H        12.0016   11.5152   19.1386  H     
38   H        13.2416    9.5383   19.8088  H     
39   H        12.6147    8.3128   21.7776  H     
40   H         9.4010   10.9939   22.3919  H     
41   H        11.3259    6.3261   22.2779  H     
42   H         9.3415    4.5719   26.5535  H     
43   H         7.5916    0.0030   27.2468  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    4    6 1
     7    5    6 2
     8    5   25 1
     9    6    8 1
    10    7    8 1
    11    7   12 1
    12    7   25 2
    13    9   10 2
    14    9   11 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   14   15 1
    20   14   18 1
    21   15   24 1
    22   16   17 2
    23   18   22 1
    24   18   23 2
    25   19   20 2
    26   19   23 1
    27   20   21 1
    28   21   22 2
    29    1   26 1
    30    3   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   19   36 1
    40   20   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   25   42 1
    46   10   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8885
  Crash		| -1.0520
  Polar		| 4.9343
  FragIndex	| 1
  FragRMSD	| 0.875