@<TRIPOS>MOLECULE
BindingDB_50198031
 52 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.2362   25.2576   16.2599  N     
2    C        11.6970   25.0868   17.5994  C     
3    C        12.3594   26.4042   18.1472  C     
4    C        13.6150   26.7806   17.3054  C     
5    C        11.4170   27.6382   18.2422  C     
6    P        10.4402   24.4513   18.4983  P     
7    O        10.8812   24.0150   19.7960  O     
8    O         9.2802   25.4481   18.6971  O     
9    O         9.8606   23.2035   17.7988  O     
10   S        11.9967   24.5832   14.9088  S     
11   C        11.1262   23.2690   14.1819  C     
12   O        13.5128   24.2308   15.2368  O     
13   O        12.0877   25.7614   13.8485  O     
14   C        11.7889   22.1032   13.7427  C     
15   C        11.0648   21.0646   13.1297  C     
16   C         9.6679   21.1656   12.9374  C     
17   C         9.0148   22.3435   13.3735  C     
18   C         9.7362   23.3823   13.9846  C     
19   C         8.9443   20.1124   12.3007  C     
20   C         8.0351   20.3717   11.2568  C     
21   C         7.3757   19.3214   10.5894  C     
22   C         7.5947   17.9819   10.9737  C     
23   C         8.4524   17.7199   12.0573  C     
24   C         9.1312   18.7663   12.7022  C     
25   O         6.9868   16.9902   10.2507  O     
26   C         7.5605   15.6625   10.2366  C     
27   C         6.7073   14.7723    9.3078  C     
28   C         9.0528   15.6350    9.8160  C     
29   H        10.4921   25.8641   16.1024  H     
30   H        12.4676   24.3112   17.6311  H     
31   H        12.7184   26.2015   19.1611  H     
32   H        14.3081   25.9392   17.2540  H     
33   H        14.1436   27.6216   17.7573  H     
34   H        13.3310   27.0609   16.2889  H     
35   H        10.9823   27.8679   17.2689  H     
36   H        11.9683   28.5169   18.5858  H     
37   H        10.6131   27.4554   18.9558  H     
38   H        12.8000   22.0053   13.8527  H     
39   H        11.5786   20.2394   12.8018  H     
40   H         8.0028   22.4521   13.2578  H     
41   H         9.2404   24.2269   14.2828  H     
42   H         7.8621   21.3328   10.9461  H     
43   H         6.7424   19.5326    9.8140  H     
44   H         8.5950   16.7676   12.3933  H     
45   H         9.7591   18.5420   13.4796  H     
46   H         7.4875   15.2324   11.2426  H     
47   H         5.6584   14.8303    9.6010  H     
48   H         7.0302   13.7339    9.3801  H     
49   H         6.8057   15.1038    8.2725  H     
50   H         9.1628   16.0724    8.8205  H     
51   H         9.4229   14.6066    9.7953  H     
52   H         9.6548   16.2128   10.5255  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   25   26 1
    28   26   27 1
    29   26   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   20   42 1
    44   21   43 1
    45   23   44 1
    46   24   45 1
    47   26   46 1
    48   27   47 1
    49   27   48 1
    50   27   49 1
    51   28   50 1
    52   28   51 1
    53   28   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1719
  Crash		| -2.4137
  Polar		| 4.8421
  FragIndex	| 1
  FragRMSD	| 0.835