@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2997   20.0586   -5.5402  C     
2    C        14.0170   18.2042   -6.5532  C     
3    O        14.9373   17.8338   -7.2722  O     
4    C        12.7805   17.4520   -6.6199  C     
5    C        11.4801   18.2143   -6.4051  C     
6    C        10.1628   17.7384   -6.7656  C     
7    O        10.0485   16.7659   -7.5030  O     
8    N         9.1083   18.3671   -6.2542  N     
9    C         7.7160   17.9994   -6.3774  C     
10   C         7.0610   18.8858   -7.3462  C     
11   O         7.0773   20.0852   -7.0616  O     
12   C         6.9876   17.9272   -4.9815  C     
13   C         7.9789   17.5880   -3.8188  C     
14   O        12.0298   17.3255   -5.4145  O     
15   N        14.1544   19.2156   -5.7093  N     
16   C         6.0347   19.1067   -4.5677  C     
17   C         6.7093   20.4229   -4.1044  C     
18   C         5.7796   17.2643  -10.4052  C     
19   C         6.5164   17.1960   -9.0521  C     
20   C         5.7731   19.4415   -9.3673  C     
21   C         5.8413   18.7528  -10.7509  C     
22   N         6.4762   18.5269   -8.5027  N     
23   C         4.3930   19.7021   -8.8734  C     
24   O         4.2039   20.0638   -7.5774  O     
25   O         3.3163   19.5428   -9.6930  O     
26   C        15.4104   20.5041   -4.0650  C     
27   C        16.7412   21.2244   -3.7608  C     
28   C         1.9248   19.7914   -9.4098  C     
29   C         1.2135   18.6249   -8.8200  C     
30   C        -0.1750   16.4268   -7.6895  C     
31   C         1.2138   16.5514   -7.5124  C     
32   C         1.9009   17.6471   -8.0686  C     
33   C        -0.1897   18.4908   -8.9820  C     
34   C        -0.8782   17.3957   -8.4259  C     
35   H        16.2212   19.5562   -5.8442  H     
36   H        15.1645   20.9333   -6.1788  H     
37   H        12.7106   16.6047   -7.3007  H     
38   H        11.5528   19.2480   -6.0477  H     
39   H         9.2976   19.1591   -5.7205  H     
40   H         7.6806   16.9762   -6.7533  H     
41   H         6.3212   17.0533   -5.0443  H     
42   H         8.5646   16.6946   -4.0666  H     
43   H         7.4270   17.3819   -2.8963  H     
44   H         8.6669   18.4221   -3.6361  H     
45   H        13.3895   19.4216   -5.1432  H     
46   H         5.3691   19.3320   -5.4053  H     
47   H         5.3862   18.7634   -3.7505  H     
48   H         7.2708   20.2678   -3.1762  H     
49   H         5.9224   21.1605   -3.9248  H     
50   H         7.3781   20.8190   -4.8652  H     
51   H         6.2575   16.6489  -11.1688  H     
52   H         4.7385   16.9467  -10.2885  H     
53   H         6.0267   16.4763   -8.3845  H     
54   H         7.5555   16.8924   -9.2187  H     
55   H         6.2948   20.3969   -9.4542  H     
56   H         6.7981   18.9642  -11.2321  H     
57   H         5.0480   19.0581  -11.4340  H     
58   H        14.5853   21.1817   -3.8264  H     
59   H        15.3287   19.6258   -3.4165  H     
60   H        17.5834   20.5499   -3.9267  H     
61   H        16.7544   21.5462   -2.7186  H     
62   H        16.8570   22.1020   -4.3998  H     
63   H         1.7993   20.6558   -8.7499  H     
64   H         1.4729   20.0542  -10.3680  H     
65   H        -0.6697   15.6259   -7.2876  H     
66   H         1.7249   15.8449   -6.9827  H     
67   H         2.9069   17.7212   -7.9253  H     
68   H        -0.7191   19.1881   -9.5145  H     
69   H        -1.8846   17.2950   -8.5702  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 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   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8775
  Crash		| -1.9522
  Polar		| 1.8218
  FragIndex	| 1
  FragRMSD	| 1.017