@<TRIPOS>MOLECULE
BindingDB_50198030
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.0788   25.2250   16.0804  N     
2    C        11.4637   25.2280   17.4580  C     
3    C        11.7325   26.7187   17.8631  C     
4    C        11.8444   26.9836   19.3967  C     
5    C        13.0064   27.2754   17.1637  C     
6    P        10.2568   24.4341   18.2930  P     
7    O         9.8885   23.1807   17.6692  O     
8    O        10.7258   24.0673   19.7198  O     
9    O         8.9882   25.2908   18.4442  O     
10   S        11.9189   24.4469   14.8514  S     
11   C        11.0770   23.0940   14.1554  C     
12   O        13.4033   24.0818   15.3017  O     
13   O        12.1011   25.5505   13.7171  O     
14   C        11.7648   21.9332   13.7555  C     
15   C        11.0744   20.8595   13.1656  C     
16   C         9.6766   20.9297   12.9485  C     
17   C         8.9917   22.1025   13.3520  C     
18   C         9.6856   23.1659   13.9494  C     
19   C         8.9825   19.8720   12.2834  C     
20   C         9.2511   18.5083   12.5714  C     
21   C         8.6010   17.4735   11.8675  C     
22   C         7.6536   17.7883   10.8744  C     
23   C         7.3658   19.1330   10.5790  C     
24   C         8.0328   20.1623   11.2710  C     
25   Cl        8.9863   15.8525   12.1646  Cl    
26   H        10.2739   25.7320   15.8378  H     
27   H        12.3890   24.6514   17.6165  H     
28   H        10.8866   27.3314   17.5096  H     
29   H        10.8919   26.7813   19.8944  H     
30   H        12.0882   28.0328   19.5918  H     
31   H        12.6188   26.3524   19.8367  H     
32   H        13.9019   26.7592   17.5246  H     
33   H        13.1131   28.3436   17.3674  H     
34   H        12.9533   27.1506   16.0789  H     
35   H        12.7730   21.8758   13.8703  H     
36   H        11.6006   20.0373   12.8673  H     
37   H         7.9778   22.1875   13.2161  H     
38   H         9.1675   23.9964   14.2305  H     
39   H         9.9167   18.2657   13.3089  H     
40   H         7.1795   17.0470   10.3549  H     
41   H         6.6908   19.3602    9.8462  H     
42   H         7.8366   21.1293   11.0073  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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6873
  Crash		| -0.9549
  Polar		| 5.5801
  FragIndex	| 1
  FragRMSD	| 0.516