@<TRIPOS>MOLECULE
BindingDB_50342010
 68 72 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.5619   -0.5097   23.5025  C     
2    C        38.6994   -0.0223   24.4437  C     
3    C        39.4611    1.2501   24.0086  C     
4    C        40.8984    0.9930   24.5205  C     
5    C        40.8821   -0.4569   25.0531  C     
6    O        39.6937   -1.0498   24.5059  O     
7    N        42.1033   -1.1821   24.7401  N     
8    C        43.2838   -0.8360   25.2989  C     
9    O        43.4060    0.0829   26.0994  O     
10   N        44.3928   -1.5048   24.9757  N     
11   C        44.3764   -2.5101   24.1024  C     
12   O        45.4276   -3.0743   23.8330  O     
13   C        43.2065   -2.8776   23.5072  C     
14   C        42.0865   -2.1984   23.8221  C     
15   P        37.6368    3.0916   24.0919  P     
16   O        37.7713    4.5162   24.2957  O     
17   O        38.9919    2.4971   24.5745  O     
18   O        34.0923    2.1686   25.5492  O     
19   O        37.4450    2.8422   22.5805  O     
20   O        36.5072    2.4801   24.9796  O     
21   P        35.0685    2.9855   24.6736  P     
22   O        34.6628    2.8420   23.2920  O     
23   O        34.8986    4.4632   25.1078  O     
24   O        36.9880   -1.6826   24.1288  O     
25   P        36.5139   -2.8441   23.2100  P     
26   O        37.5827   -3.0883   22.1068  O     
27   O        35.2393   -2.5155   22.6355  O     
28   O        36.3688   -4.0544   24.1431  O     
29   O        38.9046   -7.4811   22.8282  O     
30   C        38.3618   -6.1626   23.0082  C     
31   C        38.7280   -5.2436   21.8156  C     
32   C        37.5734   -4.3230   21.3525  C     
33   C        37.9671   -4.0756   19.8929  C     
34   O        38.9146   -3.0120   19.7541  O     
35   C        38.6015   -5.4321   19.4727  C     
36   O        39.1559   -6.0025   20.6726  O     
37   N        37.6879   -6.3399   18.8166  N     
38   C        37.2564   -6.2363   17.5410  C     
39   N        36.4473   -7.2561   17.2062  N     
40   C        36.3816   -8.0508   18.2803  C     
41   C        35.7118   -9.2625   18.5209  C     
42   N        34.9131   -9.8173   17.6005  N     
43   N        35.8952   -9.8654   19.7273  N     
44   C        36.6875   -9.3304   20.6916  C     
45   N        37.3180   -8.1392   20.4769  N     
46   C        37.1705   -7.5004   19.2899  C     
47   H        36.7840    0.2473   23.4273  H     
48   H        37.9850   -0.6695   22.4973  H     
49   H        38.2839    0.1320   25.4470  H     
50   H        39.4968    1.3235   22.9151  H     
51   H        41.6129    1.1064   23.7036  H     
52   H        41.1798    1.6791   25.3216  H     
53   H        40.7214   -0.4436   26.1399  H     
54   H        45.2342   -1.2434   25.3859  H     
55   H        43.1845   -3.6139   22.8375  H     
56   H        41.2532   -2.4475   23.3473  H     
57   H        39.6255   -7.3589   22.1685  H     
58   H        37.2725   -6.2482   23.0993  H     
59   H        38.7613   -5.7413   23.9455  H     
60   H        39.5702   -4.6129   22.1120  H     
61   H        36.6174   -4.8717   21.3686  H     
62   H        37.0881   -3.8166   19.3027  H     
63   H        39.7205   -3.3068   20.2318  H     
64   H        39.4271   -5.2502   18.7773  H     
65   H        37.4946   -5.4767   16.8967  H     
66   H        34.4414  -10.6411   17.7980  H     
67   H        34.7838   -9.3841   16.7451  H     
68   H        36.8034   -9.8079   21.5817  H     
@<TRIPOS>BOND
     1    2    1 1
     2    1   24 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    3   17 1
     7    4    5 1
     8    5    6 1
     9    5    7 1
    10    7    8 1
    11    7   14 1
    12    8    9 2
    13    8   10 1
    14   10   11 1
    15   11   12 2
    16   11   13 1
    17   13   14 2
    18   15   16 2
    19   15   17 1
    20   15   19 1
    21   15   20 1
    22   18   21 1
    23   20   21 1
    24   21   22 2
    25   21   23 1
    26   24   25 1
    27   25   26 1
    28   25   27 2
    29   25   28 1
    30   32   26 1
    31   29   30 1
    32   31   30 1
    33   31   32 1
    34   31   36 1
    35   32   33 1
    36   33   34 1
    37   33   35 1
    38   35   36 1
    39   35   37 1
    40   37   38 1
    41   37   46 1
    42   38   39 2
    43   39   40 1
    44   40   41 1
    45   40   46 2
    46   41   42 1
    47   41   43 2
    48   43   44 1
    49   44   45 2
    50   45   46 1
    51    1   47 1
    52    1   48 1
    53    2   49 1
    54    3   50 1
    55    4   51 1
    56    4   52 1
    57    5   53 1
    58   10   54 1
    59   13   55 1
    60   14   56 1
    61   29   57 1
    62   30   58 1
    63   30   59 1
    64   31   60 1
    65   32   61 1
    66   33   62 1
    67   34   63 1
    68   35   64 1
    69   38   65 1
    70   42   66 1
    71   42   67 1
    72   44   68 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3806
  Crash		| -1.8059
  Polar		| 8.2723
  FragIndex	| 1
  FragRMSD	| 1.262