@<TRIPOS>MOLECULE
BindingDB_50198036
 52 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        10.9155   25.2140   16.0701  N     
2    C        11.4138   25.2871   17.4094  C     
3    C        11.6303   26.8019   17.7511  C     
4    C        11.3986   27.2366   19.2227  C     
5    C        13.0523   27.2608   17.3091  C     
6    P        10.3047   24.4537   18.3398  P     
7    O         9.9416   23.1973   17.7523  O     
8    O        10.8937   24.1424   19.7335  O     
9    O         9.0283   25.2894   18.5622  O     
10   S        11.6910   24.4894   14.7579  S     
11   C        10.9328   23.0772   14.0915  C     
12   O        13.2631   24.3327   14.9737  O     
13   O        11.5932   25.6099   13.6294  O     
14   C        11.6885   21.9493   13.7221  C     
15   C        11.0818   20.8566   13.0805  C     
16   C         9.6914   20.8314   12.7984  C     
17   C         8.9296   21.9680   13.1863  C     
18   C         9.5452   23.0749   13.8139  C     
19   C         9.0671   19.6975   12.0414  C     
20   C         9.5811   18.2798   12.4362  C     
21   C         9.0674   17.0811   11.6964  C     
22   C         9.8957   15.9333   11.6375  C     
23   C         9.4774   14.7512   11.0050  C     
24   C         8.1826   14.6596   10.4625  C     
25   C         7.3493   15.7967   10.4847  C     
26   C         7.7770   16.9912   11.1026  C     
27   O         7.7351   13.5457    9.7957  O     
28   C         7.7144   12.2926   10.5224  C     
29   H        10.1329   25.7690   15.8566  H     
30   H        12.3588   24.7457   17.4918  H     
31   H        10.9161   27.3855   17.1569  H     
32   H        10.3547   27.0678   19.5101  H     
33   H        11.5885   28.2965   19.3502  H     
34   H        12.0434   26.6664   19.9089  H     
35   H        13.8191   26.7642   17.9168  H     
36   H        13.1573   28.3422   17.4419  H     
37   H        13.2382   27.0327   16.2572  H     
38   H        12.6922   21.9241   13.8950  H     
39   H        11.6823   20.0689   12.8169  H     
40   H         7.9173   22.0065   12.9733  H     
41   H         8.9692   23.8863   14.0472  H     
42   H         7.9820   19.7269   12.1709  H     
43   H         9.2570   19.8611   10.9737  H     
44   H        10.6649   18.2898   12.3067  H     
45   H         9.3647   18.1214   13.4906  H     
46   H        10.8342   15.9579   12.0529  H     
47   H        10.1051   13.9525   10.9832  H     
48   H         6.4092   15.7476   10.0778  H     
49   H         7.1370   17.7902   11.1299  H     
50   H         8.7294   11.9950   10.8198  H     
51   H         7.2953   11.5316    9.8655  H     
52   H         7.0840   12.3722   11.4251  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 1
    21   20   21 1
    22   21   22 2
    23   21   26 1
    24   22   23 1
    25   23   24 2
    26   24   25 1
    27   24   27 1
    28   25   26 2
    29   27   28 1
    30    1   29 1
    31    2   30 1
    32    3   31 1
    33    4   32 1
    34    4   33 1
    35    4   34 1
    36    5   35 1
    37    5   36 1
    38    5   37 1
    39   14   38 1
    40   15   39 1
    41   17   40 1
    42   18   41 1
    43   19   42 1
    44   19   43 1
    45   20   44 1
    46   20   45 1
    47   22   46 1
    48   23   47 1
    49   25   48 1
    50   26   49 1
    51   28   50 1
    52   28   51 1
    53   28   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8619
  Crash		| -1.4981
  Polar		| 5.0260
  FragIndex	| 1
  FragRMSD	| 0.842