@<TRIPOS>MOLECULE
BindingDB_13469
 71 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.6878   31.4353   17.2961  C     
2    C        23.1019   30.2560   17.9558  C     
3    C        24.2575   30.2502   18.7554  C     
4    C        25.0461   31.4182   18.9170  C     
5    C        24.6092   32.6019   18.2729  C     
6    C        23.4517   32.6126   17.4763  C     
7    O        27.1171   31.6042   22.1778  O     
8    P        25.9252   31.5648   21.3748  P     
9    O        25.1740   32.8669   21.6837  O     
10   O        25.0621   30.4184   21.9252  O     
11   C        26.2818   31.3989   19.7608  C     
12   F        26.9823   30.2278   19.5730  F     
13   F        27.1671   32.4026   19.4268  F     
14   C        21.4654   31.4517   16.4425  C     
15   C        21.7280   31.7748   14.9399  C     
16   C        22.7135   30.8782   14.3383  C     
17   O        23.8090   31.2921   13.9744  O     
18   N        22.4631   29.5919   14.1737  N     
19   N        20.4859   31.6898   14.2217  N     
20   C        20.0069   32.5847   13.3641  C     
21   O        20.6160   33.6330   13.1437  O     
22   C        18.7716   32.3049   12.6353  C     
23   C        19.0284   31.6104   11.2613  C     
24   C        19.4099   30.1729   11.4095  C     
25   C        20.0981   27.4506   11.7891  C     
26   C        21.0985   28.4378   11.8069  C     
27   C        20.7572   29.7886   11.6122  C     
28   C        18.4140   29.1689   11.4010  C     
29   C        18.7569   27.8153   11.5811  C     
30   N        18.0670   33.5493   12.4458  N     
31   C        16.9005   33.8847   12.9946  C     
32   O        16.2980   33.1033   13.7206  O     
33   C        16.3454   35.2164   12.8154  C     
34   C        14.8771   35.2115   12.5534  C     
35   C        12.9488   35.8252   11.1712  C     
36   C        14.3367   35.8140   11.3929  C     
37   C        13.9833   34.6338   13.4828  C     
38   C        12.5963   34.6481   13.2547  C     
39   C        12.0375   35.2535   12.0976  C     
40   P         9.4518   35.3191   13.0522  P     
41   O         9.6508   36.4940   14.0221  O     
42   O         8.0192   35.4329   12.4892  O     
43   O         9.5063   34.0893   13.7966  O     
44   C        10.5622   35.3427   11.8070  C     
45   F        10.3348   36.5140   11.1178  F     
46   F        10.2246   34.3091   10.9667  F     
47   H        22.5629   29.3914   17.8561  H     
48   H        24.5177   29.3796   19.2241  H     
49   H        25.1239   33.4779   18.3884  H     
50   H        23.1599   33.4889   17.0329  H     
51   H        20.9263   30.4951   16.5161  H     
52   H        20.7972   32.2166   16.8476  H     
53   H        22.0848   32.8123   14.8806  H     
54   H        23.1361   29.0148   13.7695  H     
55   H        21.6009   29.2256   14.4314  H     
56   H        19.9413   30.8983   14.3742  H     
57   H        18.1574   31.6121   13.2196  H     
58   H        18.1248   31.6804   10.6427  H     
59   H        19.8099   32.1540   10.7225  H     
60   H        20.3493   26.4720   11.9234  H     
61   H        22.0733   28.1744   11.9608  H     
62   H        21.4977   30.4937   11.6455  H     
63   H        17.4318   29.4201   11.2639  H     
64   H        18.0291   27.1008   11.5723  H     
65   H        18.5162   34.2204   11.9045  H     
66   H        16.5447   35.7939   13.7231  H     
67   H        16.8711   35.7351   12.0044  H     
68   H        12.6019   36.2681   10.3176  H     
69   H        14.9576   36.2355   10.6937  H     
70   H        14.3405   34.1995   14.3406  H     
71   H        12.0073   34.2140   13.9641  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   14 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    8    9 1
    11    8   10 1
    12    8   11 1
    13   11   12 1
    14   11   13 1
    15   15   14 1
    16   15   16 1
    17   15   19 1
    18   16   17 2
    19   16   18 am
    20   19   20 am
    21   20   21 2
    22   20   22 1
    23   22   23 1
    24   22   30 1
    25   23   24 1
    26   24   27 1
    27   24   28 2
    28   25   26 1
    29   25   29 2
    30   26   27 2
    31   28   29 1
    32   30   31 am
    33   31   32 2
    34   31   33 1
    35   33   34 1
    36   34   36 1
    37   34   37 2
    38   35   36 2
    39   35   39 1
    40   37   38 1
    41   38   39 2
    42   39   44 1
    43   40   41 1
    44   40   42 1
    45   40   43 2
    46   40   44 1
    47   44   45 1
    48   44   46 1
    49    2   47 1
    50    3   48 1
    51    5   49 1
    52    6   50 1
    53   14   51 1
    54   14   52 1
    55   15   53 1
    56   18   54 1
    57   18   55 1
    58   19   56 1
    59   22   57 1
    60   23   58 1
    61   23   59 1
    62   25   60 1
    63   26   61 1
    64   27   62 1
    65   28   63 1
    66   29   64 1
    67   30   65 1
    68   33   66 1
    69   33   67 1
    70   35   68 1
    71   36   69 1
    72   37   70 1
    73   38   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 14.5773
  Crash		| -1.4838
  Polar		| 10.7218
  FragIndex	| 1
  FragRMSD	| 0.721