@<TRIPOS>MOLECULE
BindingDB_14005
 55 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8947  138.2296   -3.3526  C     
2    C        14.2723  137.5404   -1.9112  C     
3    C        15.3061  138.3341   -1.0924  C     
4    N        14.7219  137.6204   -3.2605  N     
5    O        16.5033  138.4080   -4.3987  O     
6    C        13.9931  137.0176   -4.3564  C     
7    C        14.1418  135.5340   -4.3275  C     
8    C        13.0524  134.6751   -4.0484  C     
9    C        13.2499  133.2892   -3.8904  C     
10   C        14.5390  132.7403   -4.0104  C     
11   C        15.6300  133.5820   -4.2984  C     
12   C        15.4209  134.9608   -4.4977  C     
13   O        16.8961  133.0879   -4.4373  O     
14   C        16.4728  138.5764   -2.0787  C     
15   N        17.6483  137.7024   -1.8402  N     
16   C        18.4831  138.0166   -0.6603  C     
17   C        19.6583  137.1162   -0.6129  C     
18   C        21.0159  135.4342   -0.4137  C     
19   C        20.9714  137.5453   -0.7843  C     
20   C        17.6292  132.9248   -3.2809  C     
21   C        17.7352  133.9302   -2.2891  C     
22   C        19.2353  131.5857   -2.0185  C     
23   C        19.3061  132.5870   -1.0328  C     
24   C        18.5485  133.7783   -1.1425  C     
25   C        18.6099  134.8776   -0.1217  C     
26   N        19.7087  135.7821   -0.3835  N     
27   N        21.7921  136.4979   -0.6586  N     
28   C        18.4034  131.7498   -3.1440  C     
29   C        18.3583  130.8167   -4.0497  C     
30   N        18.3084  130.0019   -4.8602  N     
31   C        18.6208  134.3876    1.3527  C     
32   H        14.2329  136.4991   -1.5817  H     
33   H        13.2894  137.9994   -1.8050  H     
34   H        14.8803  139.2927   -0.7777  H     
35   H        15.6033  137.7821   -0.1958  H     
36   H        12.9415  137.3101   -4.2851  H     
37   H        14.3436  137.3785   -5.3267  H     
38   H        12.1139  135.0604   -3.9432  H     
39   H        12.4572  132.6826   -3.6717  H     
40   H        14.6858  131.7371   -3.8933  H     
41   H        16.2234  135.5526   -4.7283  H     
42   H        16.7617  139.6343   -2.0884  H     
43   H        17.3094  136.7446   -1.7530  H     
44   H        18.2478  137.7555   -2.6668  H     
45   H        18.8093  139.0577   -0.7222  H     
46   H        17.9163  137.8942    0.2638  H     
47   H        21.3879  134.4949   -0.2685  H     
48   H        21.2728  138.5034   -0.9674  H     
49   H        17.2175  134.8006   -2.4144  H     
50   H        19.7901  130.7303   -1.8941  H     
51   H        19.9138  132.4279   -0.2267  H     
52   H        17.6710  135.4319   -0.1939  H     
53   H        17.8040  133.6858    1.5277  H     
54   H        18.4889  135.2400    2.0266  H     
55   H        19.5642  133.9023    1.6037  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   14 1
     4    2    3 1
     5    2    4 1
     6    3   14 1
     7    4    6 1
     8    6    7 1
     9    7    8 2
    10    7   12 1
    11    8    9 1
    12    9   10 2
    13   10   11 1
    14   11   12 2
    15   11   13 1
    16   13   20 1
    17   14   15 1
    18   15   16 1
    19   16   17 1
    20   17   19 2
    21   17   26 1
    22   18   26 1
    23   18   27 2
    24   19   27 1
    25   20   21 1
    26   20   28 2
    27   21   24 2
    28   22   23 2
    29   22   28 1
    30   23   24 1
    31   24   25 1
    32   25   26 1
    33   25   31 1
    34   28   29 1
    35   29   30 3
    36    2   32 1
    37    2   33 1
    38    3   34 1
    39    3   35 1
    40    6   36 1
    41    6   37 1
    42    8   38 1
    43    9   39 1
    44   10   40 1
    45   12   41 1
    46   14   42 1
    47   15   43 1
    48   15   44 1
    49   16   45 1
    50   16   46 1
    51   18   47 1
    52   19   48 1
    53   21   49 1
    54   22   50 1
    55   23   51 1
    56   25   52 1
    57   31   53 1
    58   31   54 1
    59   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.5944
  Crash		| -1.0027
  Polar		| 0.0026
  FragIndex	| 1
  FragRMSD	| 1.354