@<TRIPOS>MOLECULE
BindingDB_14697
 75 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.2719   13.9572   23.2270  C     
2    C        18.8833   13.7243   23.4194  C     
3    C        18.2751   12.5385   22.9696  C     
4    C        19.0419   11.5598   22.3064  C     
5    C        20.4160   11.7789   22.0900  C     
6    C        21.0148   12.9702   22.5347  C     
7    C        20.8998   15.1596   23.6945  C     
8    C        22.2072   17.5842   24.5026  C     
9    C        20.8649   17.5883   24.0507  C     
10   C        20.2137   16.3957   23.6884  C     
11   C        22.2462   15.1510   24.1469  C     
12   C        22.8884   16.3368   24.5521  C     
13   C        22.9398   18.8550   24.7887  C     
14   C        20.4626   19.3628   27.2275  C     
15   C        21.8935   19.8077   26.8471  C     
16   C        21.5145   20.8515   24.6471  C     
17   C        19.2543   21.1041   25.6931  C     
18   C        19.3989   20.4717   27.1033  C     
19   N        22.1033   19.8953   25.4030  N     
20   O        21.7454   20.8781   23.4415  O     
21   C        20.5271   21.8304   25.1500  C     
22   N        20.0674   22.7643   24.1464  N     
23   C        20.7053   23.8369   23.6915  C     
24   O        21.7939   24.1675   24.1705  O     
25   C        20.1106   24.5665   22.5798  C     
26   N        20.4975   25.9484   22.6266  N     
27   C        19.6962   26.9937   22.6836  C     
28   C        20.2726   28.3149   22.6738  C     
29   O        18.4724   26.8775   22.7136  O     
30   C        20.5250   23.9527   21.2137  C     
31   C        19.7322   24.5228   20.0858  C     
32   C        17.6810   24.5499   18.7626  C     
33   C        18.4225   24.0685   19.8463  C     
34   C        20.2430   25.5344   19.2490  C     
35   C        19.5015   26.0689   18.1567  C     
36   C        18.2024   25.5182   17.8620  C     
37   P        20.1783   27.2866   17.3417  P     
38   O        19.3308   28.4572   17.4063  O     
39   O        21.5590   27.7439   17.8382  O     
40   O        20.3806   26.9074   15.8573  O     
41   P        17.2397   25.8620   16.6049  P     
42   O        17.7918   26.1796   15.3165  O     
43   O        16.3587   24.6339   16.2906  O     
44   O        16.2660   26.9914   16.9922  O     
45   H        18.3019   14.3998   23.9189  H     
46   H        17.2798   12.3756   23.1227  H     
47   H        18.6119   10.6947   21.9828  H     
48   H        20.9726   11.0759   21.5994  H     
49   H        22.0107   13.1125   22.3315  H     
50   H        20.3527   18.4702   23.9790  H     
51   H        19.2398   16.4568   23.3727  H     
52   H        22.7719   14.2736   24.1879  H     
53   H        23.8655   16.2865   24.8549  H     
54   H        23.8154   18.6698   25.4289  H     
55   H        23.3835   19.1720   23.8365  H     
56   H        20.1766   18.4997   26.6251  H     
57   H        20.4730   19.0340   28.2697  H     
58   H        22.1412   20.7576   27.3252  H     
59   H        22.5752   19.0717   27.3008  H     
60   H        18.9198   20.3357   24.9865  H     
61   H        18.4325   21.8249   25.7762  H     
62   H        18.4399   20.0323   27.3742  H     
63   H        19.6178   21.2669   27.8255  H     
64   H        20.9758   22.4074   25.9580  H     
65   H        19.2079   22.5641   23.7322  H     
66   H        19.0216   24.4721   22.6757  H     
67   H        21.4532   26.1349   22.5993  H     
68   H        20.9483   28.4210   23.5269  H     
69   H        19.5106   29.0929   22.7397  H     
70   H        20.8461   28.4694   21.7532  H     
71   H        21.5955   24.1091   21.0588  H     
72   H        20.3700   22.8704   21.2194  H     
73   H        16.7492   24.1392   18.6283  H     
74   H        18.0106   23.3478   20.4486  H     
75   H        21.1880   25.8892   19.4560  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   37 1
    41   36   41 1
    42   37   38 2
    43   37   39 1
    44   37   40 1
    45   41   42 2
    46   41   43 1
    47   41   44 1
    48    2   45 1
    49    3   46 1
    50    4   47 1
    51    5   48 1
    52    6   49 1
    53    9   50 1
    54   10   51 1
    55   11   52 1
    56   12   53 1
    57   13   54 1
    58   13   55 1
    59   14   56 1
    60   14   57 1
    61   15   58 1
    62   15   59 1
    63   17   60 1
    64   17   61 1
    65   18   62 1
    66   18   63 1
    67   21   64 1
    68   22   65 1
    69   25   66 1
    70   26   67 1
    71   28   68 1
    72   28   69 1
    73   28   70 1
    74   30   71 1
    75   30   72 1
    76   32   73 1
    77   33   74 1
    78   34   75 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8241
  Crash		| -2.5092
  Polar		| 5.2901
  FragIndex	| 1
  FragRMSD	| 0.401