@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.8945   19.5410   -8.2793  C     
2    C         9.2509   18.8800   -8.1934  C     
3    O         9.6268   19.7945   -8.9095  O     
4    C        10.2334   18.0263   -7.5892  C     
5    C        11.5842   17.7830   -8.2359  C     
6    C        12.6418   17.2554   -7.4145  C     
7    O        12.6166   16.0697   -7.0675  O     
8    N        13.5603   18.0792   -6.9213  N     
9    C        14.7369   17.8100   -6.1177  C     
10   C        14.7003   16.6471   -5.1927  C     
11   O        13.7568   16.6212   -4.3910  O     
12   C        15.2978   19.1047   -5.4060  C     
13   C        15.9936   20.0747   -6.4083  C     
14   C        14.2367   19.8586   -4.5428  C     
15   C        14.7651   21.1328   -3.8446  C     
16   O        10.4837   16.8824   -8.4199  O     
17   C        17.5064   14.2740   -5.5857  C     
18   C        16.7539   15.5476   -6.0054  C     
19   C        15.4343   14.4693   -4.3365  C     
20   C        16.4207   13.4294   -4.9097  C     
21   N        15.5893   15.6325   -5.1780  N     
22   C        15.6820   14.7900   -2.9079  C     
23   O        16.8703   15.2832   -2.4973  O     
24   O        14.6705   14.7300   -2.0088  O     
25   N         7.9732   18.7027   -7.8690  N     
26   C         6.0407   18.9264   -9.4165  C     
27   C         5.2341   20.0019  -10.1735  C     
28   H         6.2625   19.6886   -7.4047  H     
29   H         7.2729   20.5189   -8.5861  H     
30   H        10.1293   17.7687   -6.5358  H     
31   H        11.8247   18.2843   -9.1715  H     
32   H        13.4783   19.0084   -7.2082  H     
33   H        15.4629   17.5699   -6.8976  H     
34   H        16.0933   18.7764   -4.7252  H     
35   H        16.7647   19.5423   -6.9644  H     
36   H        16.4840   20.8982   -5.8830  H     
37   H        15.2725   20.4886   -7.1116  H     
38   H        13.3702   20.1164   -5.1536  H     
39   H        13.8816   19.1983   -3.7528  H     
40   H        15.7023   20.9165   -3.3256  H     
41   H        14.0313   21.4783   -3.1139  H     
42   H        14.9296   21.9342   -4.5717  H     
43   H        17.9563   13.7587   -6.4396  H     
44   H        18.2925   14.5187   -4.8585  H     
45   H        17.3927   16.4209   -5.8736  H     
46   H        16.4618   15.4640   -7.0524  H     
47   H        14.4216   14.0554   -4.4373  H     
48   H        15.9249   12.8163   -5.6730  H     
49   H        16.8532   12.7598   -4.1553  H     
50   H         7.7636   18.0058   -7.2213  H     
51   H         6.6835   18.4003  -10.1269  H     
52   H         5.3435   18.1979   -8.9921  H     
53   H         4.5743   20.5368   -9.4809  H     
54   H         4.6164   19.5353  -10.9512  H     
55   H         5.9022   20.7287  -10.6521  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6733
  Crash		| -2.1475
  Polar		| 1.4598
  FragIndex	| 1
  FragRMSD	| 1.291