@<TRIPOS>MOLECULE
BindingDB_50198035
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.0815   25.2736   16.1420  N     
2    C        11.6138   25.0428   17.4477  C     
3    C        12.3174   26.3267   18.0207  C     
4    C        13.5728   26.7106   17.1821  C     
5    C        11.3966   27.5734   18.1804  C     
6    P        10.3862   24.4150   18.4014  P     
7    O         9.9090   23.1656   17.8629  O     
8    O        10.8568   24.1020   19.8437  O     
9    O         9.1739   25.3677   18.5059  O     
10   S        11.7255   24.6185   14.7328  S     
11   C        10.9462   23.2100   14.0633  C     
12   O        13.3155   24.5803   14.7353  O     
13   O        11.4058   25.7638   13.6870  O     
14   C        11.7006   22.0718   13.7179  C     
15   C        11.0693   20.9527   13.1404  C     
16   C         9.6760   20.9338   12.8865  C     
17   C         8.9385   22.0847   13.2465  C     
18   C         9.5586   23.2069   13.8266  C     
19   C         9.0453   19.8065   12.2702  C     
20   C         9.4726   18.4810   12.5321  C     
21   C         8.8585   17.3698   11.9129  C     
22   C         7.7904   17.5888   11.0160  C     
23   C         7.3530   18.8948   10.7408  C     
24   C         7.9772   19.9912   11.3576  C     
25   C         9.3609   16.0046   12.1887  C     
26   H        10.3326   25.8888   16.0601  H     
27   H        12.3698   24.2526   17.4072  H     
28   H        12.6948   26.0788   19.0225  H     
29   H        14.2005   25.8298   17.0018  H     
30   H        14.1809   27.4512   17.7236  H     
31   H        13.2849   27.1403   16.2123  H     
32   H        10.9976   27.9006   17.2106  H     
33   H        11.9706   28.4050   18.6118  H     
34   H        10.5617   27.3614   18.8487  H     
35   H        12.7107   22.0493   13.8740  H     
36   H        11.6548   20.1542   12.8816  H     
37   H         7.9277   22.1239   13.0980  H     
38   H         8.9946   24.0298   14.0613  H     
39   H        10.2414   18.3196   13.1888  H     
40   H         7.3284   16.8008   10.5497  H     
41   H         6.5905   19.0475   10.0778  H     
42   H         7.6607   20.9335   11.1090  H     
43   H        10.3897   15.9190   11.8340  H     
44   H         8.7648   15.2392   11.6925  H     
45   H         9.3413   15.8115   13.2590  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   10 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    3    5 1
     7    6    7 2
     8    6    8 1
     9    6    9 1
    10   10   11 1
    11   10   12 2
    12   10   13 2
    13   11   14 2
    14   11   18 1
    15   14   15 1
    16   15   16 2
    17   16   17 1
    18   16   19 1
    19   17   18 2
    20   19   20 2
    21   19   24 1
    22   20   21 1
    23   21   22 2
    24   21   25 1
    25   22   23 1
    26   23   24 2
    27    1   26 1
    28    2   27 1
    29    3   28 1
    30    4   29 1
    31    4   30 1
    32    4   31 1
    33    5   32 1
    34    5   33 1
    35    5   34 1
    36   14   35 1
    37   15   36 1
    38   17   37 1
    39   18   38 1
    40   20   39 1
    41   22   40 1
    42   23   41 1
    43   24   42 1
    44   25   43 1
    45   25   44 1
    46   25   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4825
  Crash		| -0.8478
  Polar		| 5.1499
  FragIndex	| 1
  FragRMSD	| 0.489