@<TRIPOS>MOLECULE
BindingDB_50198034
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.1771   25.2591   16.1253  N     
2    C        11.6526   25.0468   17.4599  C     
3    C        12.3388   26.3425   18.0334  C     
4    C        13.5667   26.7619   17.1729  C     
5    C        11.3950   27.5745   18.2241  C     
6    P        10.3909   24.4303   18.3753  P     
7    O         9.9676   23.1713   17.8183  O     
8    O        10.8539   24.1089   19.8160  O     
9    O         9.1632   25.3615   18.4466  O     
10   S        11.8270   24.4861   14.7752  S     
11   C        10.9935   23.0938   14.1434  C     
12   O        13.4088   24.4079   14.7567  O     
13   O        11.5807   25.6025   13.6704  O     
14   C         9.5984   23.1572   13.9569  C     
15   C         8.9145   22.0812   13.3669  C     
16   C         9.6004   20.9113   12.9583  C     
17   C        10.9990   20.8443   13.1889  C     
18   C        11.6913   21.9248   13.7715  C     
19   C         8.9181   19.8667   12.2643  C     
20   C         8.0625   20.1679   11.1792  C     
21   C         7.4402   19.1518   10.4392  C     
22   C         7.6664   17.8042   10.7717  C     
23   C         8.4955   17.4812   11.8602  C     
24   C         9.1207   18.5022   12.5949  C     
25   Cl        6.9671   16.5786    9.8455  Cl    
26   H        10.4419   25.8861   15.9840  H     
27   H        12.4099   24.2486   17.4632  H     
28   H        12.7342   26.0927   19.0246  H     
29   H        14.2135   25.9010   16.9724  H     
30   H        14.1645   27.5145   17.7007  H     
31   H        13.2465   27.1902   16.2187  H     
32   H        10.9838   27.9080   17.2654  H     
33   H        11.9534   28.4071   18.6692  H     
34   H        10.5665   27.3339   18.8893  H     
35   H         9.0751   23.9963   14.2158  H     
36   H         7.9041   22.1762   13.2211  H     
37   H        11.5381   20.0228   12.8898  H     
38   H        12.7059   21.8606   13.8914  H     
39   H         7.9102   21.1400   10.8944  H     
40   H         6.8468   19.3970    9.6443  H     
41   H         8.6544   16.5039   12.1226  H     
42   H         9.7171   18.2451   13.3829  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	| 8.5987
  Crash		| -0.9862
  Polar		| 5.0902
  FragIndex	| 1
  FragRMSD	| 0.401