@<TRIPOS>MOLECULE
BindingDB_14022
 59 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.6535  133.4653   -5.6582  C     
2    C        16.1447  131.0913   -5.9609  C     
3    C        17.3076  131.0983   -5.1623  C     
4    C        18.0645  132.2819   -4.9998  C     
5    C        16.4844  133.4554   -6.4439  C     
6    C        15.7532  132.2777   -6.6120  C     
7    C        14.9082  133.8689   -8.1186  C     
8    C        14.6129  132.4787   -7.5050  C     
9    C        15.8323  134.5989   -7.1012  C     
10   C        15.7839  136.3884   -5.4228  C     
11   C        13.7999  135.3234   -5.7137  C     
12   C        13.6250  136.2753   -4.5172  C     
13   O        16.9345  136.7455   -5.6327  O     
14   C        14.9329  137.1030   -4.5009  C     
15   N        15.4791  137.3673   -3.1199  N     
16   C        15.9893  136.1652   -2.3667  C     
17   C        15.8639  136.2481   -0.8853  C     
18   C        15.9938  135.8282    1.2489  C     
19   C        15.3257  137.3080   -0.1530  C     
20   N        15.4243  137.0362    1.1523  N     
21   N        16.2509  135.3206    0.0248  N     
22   O        19.1722  132.2543   -4.1841  O     
23   C        16.7769  133.9961   -0.1987  C     
24   C        17.9800  133.9487   -1.0686  C     
25   C        19.0919  134.7717   -0.7944  C     
26   C        18.0221  133.1002   -2.1987  C     
27   C        19.1326  133.0846   -3.0750  C     
28   C        20.2130  134.7570   -1.6370  C     
29   C        20.2422  133.9093   -2.7658  C     
30   C        21.3106  133.8897   -3.4978  C     
31   N        22.2650  133.8770   -4.1418  N     
32   N        15.1765  135.4271   -6.0989  N     
33   C        16.4656  138.5024   -3.1032  C     
34   H        18.1895  134.3271   -5.5464  H     
35   H        15.5995  130.2332   -6.0707  H     
36   H        17.5958  130.2400   -4.6845  H     
37   H        15.4429  133.7259   -9.0668  H     
38   H        13.9944  134.4229   -8.3365  H     
39   H        14.5904  131.7002   -8.2679  H     
40   H        13.6785  132.4655   -6.9411  H     
41   H        16.5624  135.1823   -7.6716  H     
42   H        13.5422  134.3070   -5.4128  H     
43   H        13.1426  135.6424   -6.5268  H     
44   H        12.7519  136.9225   -4.6437  H     
45   H        13.4733  135.7083   -3.5947  H     
46   H        14.6945  138.0634   -4.9718  H     
47   H        14.6694  137.6999   -2.5906  H     
48   H        15.4616  135.2589   -2.6616  H     
49   H        17.0383  136.0053   -2.6222  H     
50   H        16.1836  135.3662    2.1389  H     
51   H        14.9208  138.1685   -0.5278  H     
52   H        17.0491  133.5239    0.7499  H     
53   H        15.9707  133.3944   -0.6271  H     
54   H        19.0799  135.4043    0.0087  H     
55   H        17.2294  132.4849   -2.3937  H     
56   H        21.0002  135.3738   -1.4149  H     
57   H        16.0389  139.3965   -3.5623  H     
58   H        17.3834  138.2472   -3.6380  H     
59   H        16.7440  138.7670   -2.0830  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    2    3 2
     4    2    6 1
     5    3    4 1
     6    4   22 1
     7    5    6 2
     8    5    9 1
     9    6    8 1
    10    7    8 1
    11    7    9 1
    12    9   32 1
    13   10   13 2
    14   10   14 1
    15   10   32 1
    16   11   12 1
    17   11   32 1
    18   12   14 1
    19   14   15 1
    20   15   16 1
    21   15   33 1
    22   16   17 1
    23   17   19 2
    24   17   21 1
    25   18   20 2
    26   18   21 1
    27   19   20 1
    28   21   23 1
    29   22   27 1
    30   23   24 1
    31   24   25 1
    32   24   26 2
    33   25   28 2
    34   26   27 1
    35   27   29 2
    36   28   29 1
    37   29   30 1
    38   30   31 3
    39    1   34 1
    40    2   35 1
    41    3   36 1
    42    7   37 1
    43    7   38 1
    44    8   39 1
    45    8   40 1
    46    9   41 1
    47   11   42 1
    48   11   43 1
    49   12   44 1
    50   12   45 1
    51   14   46 1
    52   15   47 1
    53   16   48 1
    54   16   49 1
    55   18   50 1
    56   19   51 1
    57   23   52 1
    58   23   53 1
    59   25   54 1
    60   26   55 1
    61   28   56 1
    62   33   57 1
    63   33   58 1
    64   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8950
  Crash		| -0.6984
  Polar		| 0.3824
  FragIndex	| 1
  FragRMSD	| 1.408