@<TRIPOS>MOLECULE
BindingDB_50198039
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.2245   25.3109   16.1342  N     
2    C        11.6639   25.1111   17.4804  C     
3    C        12.3683   26.3898   18.0598  C     
4    C        13.5817   26.8123   17.1827  C     
5    C        11.4277   27.6098   18.2864  C     
6    P        10.3779   24.5246   18.3653  P     
7    O         9.1954   25.3315   18.2469  O     
8    O        10.0003   23.0950   17.9154  O     
9    O        10.7473   24.4519   19.8579  O     
10   S        11.9277   24.5393   14.8103  S     
11   C        11.0718   23.1762   14.1687  C     
12   O        13.4617   24.2041   15.0989  O     
13   O        12.0342   25.6560   13.6730  O     
14   C        11.7452   21.9919   13.7882  C     
15   C        11.0392   20.9328   13.1979  C     
16   C         9.6392   21.0199   12.9745  C     
17   C         8.9766   22.2018   13.3834  C     
18   C         9.6814   23.2651   13.9684  C     
19   C         8.9267   19.9792   12.3002  C     
20   C         9.1361   18.6124   12.6076  C     
21   C         8.4680   17.5966   11.9012  C     
22   C         7.5672   17.9299   10.8695  C     
23   C         7.3373   19.2780   10.5547  C     
24   C         8.0111   20.2889   11.2614  C     
25   F         6.9552   16.9832   10.1990  F     
26   H        10.5730   26.0105   15.9623  H     
27   H        12.4099   24.3132   17.5117  H     
28   H        12.7855   26.1250   19.0413  H     
29   H        14.2627   25.9680   17.0245  H     
30   H        14.1525   27.6121   17.6641  H     
31   H        13.2431   27.1782   16.2012  H     
32   H        10.8746   27.8391   17.3687  H     
33   H        11.9995   28.4961   18.5882  H     
34   H        10.7142   27.3929   19.0970  H     
35   H        12.7561   21.9052   13.9139  H     
36   H        11.5571   20.1017   12.9037  H     
37   H         7.9703   22.3088   13.2486  H     
38   H         9.1808   24.1214   14.2217  H     
39   H         9.7755   18.3437   13.3540  H     
40   H         8.6371   16.6175   12.1338  H     
41   H         6.6931   19.5294    9.7984  H     
42   H         7.8499   21.2599   10.9843  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   22   23 1
    25   22   25 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   21   40 1
    42   23   41 1
    43   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6789
  Crash		| -0.8405
  Polar		| 5.0389
  FragIndex	| 1
  FragRMSD	| 0.798