@<TRIPOS>MOLECULE
BindingDB_16505
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.9426   19.8940   -7.7731  C     
2    C        10.2076   18.9778   -8.0495  C     
3    O        10.4762   19.6586   -9.0453  O     
4    C        11.2015   18.0703   -7.4949  C     
5    C        12.6196   17.9548   -8.0008  C     
6    C        13.6264   17.4039   -7.1137  C     
7    O        13.5525   16.2085   -6.8370  O     
8    N        14.5038   18.1967   -6.5498  N     
9    C        15.7091   17.8219   -5.8295  C     
10   C        15.5925   16.5648   -5.0742  C     
11   O        14.5391   16.3844   -4.4819  O     
12   C        16.2241   19.0142   -4.9482  C     
13   C        16.4348   20.3052   -5.7946  C     
14   O        11.5977   17.0628   -8.4289  O     
15   N         9.0580   19.0577   -7.4337  N     
16   C        15.3059   19.3292   -3.7143  C     
17   C        15.1731   20.8243   -3.3482  C     
18   C        18.4812   14.2485   -5.3744  C     
19   C        17.7702   15.5586   -5.7651  C     
20   C        16.2178   14.2548   -4.5048  C     
21   C        17.3075   13.3080   -5.0589  C     
22   N        16.4876   15.5384   -5.0970  N     
23   C        16.2656   14.3144   -3.0297  C     
24   O        17.1489   13.5054   -2.3950  O     
25   O        15.4347   15.1311   -2.3300  O     
26   C        15.3212   15.2272   -0.8969  C     
27   C        15.6173   16.5971   -0.4109  C     
28   C        16.0635   19.3127    0.2863  C     
29   C        17.0539   18.5875   -0.3914  C     
30   C        16.8398   17.2315   -0.7250  C     
31   C        14.6474   17.3285    0.3189  C     
32   C        14.8714   18.6657    0.6761  C     
33   C         7.0072   19.9509   -6.6190  C     
34   C         7.5073   20.2475   -5.3336  C     
35   C         6.6387   20.2860   -4.2201  C     
36   C         5.2739   20.0088   -4.3891  C     
37   C         4.7639   19.7092   -5.6598  C     
38   C         5.6313   19.6769   -6.7775  C     
39   H         8.2511   20.9124   -8.0281  H     
40   H         7.4637   19.4620   -8.6578  H     
41   H        10.9920   17.6185   -6.5175  H     
42   H        12.9493   18.6215   -8.8011  H     
43   H        14.4384   19.1486   -6.8051  H     
44   H        16.4464   17.6815   -6.6186  H     
45   H        17.2095   18.7308   -4.5610  H     
46   H        17.0262   20.0892   -6.6805  H     
47   H        16.9773   21.0712   -5.2349  H     
48   H        15.4778   20.7263   -6.1110  H     
49   H         8.9132   18.4548   -6.6827  H     
50   H        14.2970   18.9231   -3.8926  H     
51   H        15.7095   18.8244   -2.8292  H     
52   H        16.1597   21.2894   -3.2963  H     
53   H        14.6842   20.9310   -2.3776  H     
54   H        14.5641   21.3521   -4.0779  H     
55   H        19.1071   13.8657   -6.1774  H     
56   H        19.0989   14.3999   -4.4861  H     
57   H        18.3790   16.4098   -5.4584  H     
58   H        17.6274   15.5808   -6.8454  H     
59   H        15.2448   13.8786   -4.8247  H     
60   H        16.9589   12.8337   -5.9819  H     
61   H        17.6065   12.5155   -4.3635  H     
62   H        14.3065   14.9408   -0.6134  H     
63   H        15.9940   14.4909   -0.4486  H     
64   H        16.2157   20.2935    0.5197  H     
65   H        17.9386   19.0412   -0.6466  H     
66   H        17.5696   16.7294   -1.2298  H     
67   H        13.7695   16.8779    0.5954  H     
68   H        14.1785   19.1788    1.2221  H     
69   H         8.4975   20.4469   -5.1898  H     
70   H         7.0125   20.5024   -3.2987  H     
71   H         4.6423   20.0229   -3.5773  H     
72   H         3.7707   19.5024   -5.7789  H     
73   H         5.2443   19.4434   -7.6896  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   33 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   26 1
    29   26   27 1
    30   27   30 2
    31   27   31 1
    32   28   29 2
    33   28   32 1
    34   29   30 1
    35   31   32 2
    36   33   34 2
    37   33   38 1
    38   34   35 1
    39   35   36 2
    40   36   37 1
    41   37   38 2
    42    1   39 1
    43    1   40 1
    44    4   41 1
    45    5   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   13   46 1
    50   13   47 1
    51   13   48 1
    52   15   49 1
    53   16   50 1
    54   16   51 1
    55   17   52 1
    56   17   53 1
    57   17   54 1
    58   18   55 1
    59   18   56 1
    60   19   57 1
    61   19   58 1
    62   20   59 1
    63   21   60 1
    64   21   61 1
    65   26   62 1
    66   26   63 1
    67   28   64 1
    68   29   65 1
    69   30   66 1
    70   31   67 1
    71   32   68 1
    72   34   69 1
    73   35   70 1
    74   36   71 1
    75   37   72 1
    76   38   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5342
  Crash		| -2.8327
  Polar		| 2.0162
  FragIndex	| 1
  FragRMSD	| 1.232