@<TRIPOS>MOLECULE
BindingDB_14013
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.9748  136.3412   -2.9202  C     
2    C        16.6436  137.3097   -1.3417  C     
3    C        18.0881  137.7895   -1.0999  C     
4    O        18.3022  135.6960   -3.9098  O     
5    C        18.9558  136.9408   -2.0588  C     
6    N        19.7182  135.9335   -1.3796  N     
7    O        21.2003  137.2996   -0.4440  O     
8    N        16.7258  136.5409   -2.5351  N     
9    C        15.6140  136.0420   -3.1668  C     
10   C        14.7728  136.9555   -3.8407  C     
11   C        13.6570  136.5099   -4.5658  C     
12   C        13.3732  135.1380   -4.6431  C     
13   C        15.3137  134.6513   -3.2187  C     
14   C        14.1960  134.1994   -3.9817  C     
15   C        16.0968  133.6883   -2.5362  C     
16   C        13.9243  132.8174   -4.0828  C     
17   C        14.7553  131.8802   -3.4445  C     
18   C        15.8549  132.3038   -2.6769  C     
19   C        20.7615  136.1635   -0.5949  C     
20   O        16.6314  131.3331   -2.0864  O     
21   C        21.4005  135.0692    0.1093  C     
22   C        20.5089  134.4203    1.1032  C     
23   C        19.4304  132.9979    2.3430  C     
24   C        19.8541  135.0889    2.1364  C     
25   C        17.9967  131.5097   -2.1440  C     
26   C        18.6574  131.6725   -0.9097  C     
27   C        18.7561  131.5186   -3.3435  C     
28   C        20.1513  131.7310   -3.2822  C     
29   C        20.7905  131.9079   -2.0409  C     
30   C        20.0521  131.8759   -0.8379  C     
31   C        20.7163  131.9924    0.4888  C     
32   C        18.1955  131.3413   -4.5081  C     
33   N        17.7099  131.1944   -5.5393  N     
34   N        20.2294  133.1064    1.2594  N     
35   N        19.1920  134.2001    2.8853  N     
36   H        16.2991  136.6803   -0.5154  H     
37   H        15.9697  138.1643   -1.4485  H     
38   H        18.1768  138.8494   -1.3565  H     
39   H        18.3700  137.6643   -0.0502  H     
40   H        19.6143  137.5806   -2.6543  H     
41   H        19.4403  135.0088   -1.4907  H     
42   H        14.9867  137.9554   -3.8287  H     
43   H        13.0640  137.1840   -5.0562  H     
44   H        12.5697  134.8295   -5.1952  H     
45   H        16.8707  133.9854   -1.9398  H     
46   H        13.1316  132.4806   -4.6360  H     
47   H        14.5582  130.8826   -3.5472  H     
48   H        21.7493  134.3468   -0.6283  H     
49   H        22.2836  135.4250    0.6473  H     
50   H        19.0590  132.1252    2.7193  H     
51   H        19.8789  136.0965    2.3099  H     
52   H        18.1069  131.6412   -0.0484  H     
53   H        20.7201  131.7476   -4.1346  H     
54   H        21.8042  132.0424   -2.0223  H     
55   H        20.5425  131.0538    1.0239  H     
56   H        21.8002  132.0861    0.3877  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    8 1
     4    2    3 1
     5    2    8 1
     6    3    5 1
     7    5    6 1
     8    6   19 1
     9    7   19 2
    10    8    9 1
    11    9   10 2
    12    9   13 1
    13   10   11 1
    14   11   12 2
    15   12   14 1
    16   13   14 2
    17   13   15 1
    18   14   16 1
    19   15   18 2
    20   16   17 2
    21   17   18 1
    22   18   20 1
    23   19   21 1
    24   20   25 1
    25   21   22 1
    26   22   24 2
    27   22   34 1
    28   23   34 1
    29   23   35 2
    30   24   35 1
    31   25   26 2
    32   25   27 1
    33   26   30 1
    34   27   28 2
    35   27   32 1
    36   28   29 1
    37   29   30 2
    38   30   31 1
    39   31   34 1
    40   32   33 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47   10   42 1
    48   11   43 1
    49   12   44 1
    50   15   45 1
    51   16   46 1
    52   17   47 1
    53   21   48 1
    54   21   49 1
    55   23   50 1
    56   24   51 1
    57   26   52 1
    58   28   53 1
    59   29   54 1
    60   31   55 1
    61   31   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8625
  Crash		| -0.2543
  Polar		| 1.4066
  FragIndex	| 1
  FragRMSD	| 1.017