@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.1574   18.3790   -6.1955  C     
2    C        13.1877   18.3432   -7.6818  C     
3    O        13.7300   18.9856   -8.5726  O     
4    C        11.8214   17.9296   -7.8923  C     
5    C        10.7257   18.6572   -7.1236  C     
6    C         9.4080   18.7327   -7.6875  C     
7    O         9.2870   19.1113   -8.8467  O     
8    N         8.3686   18.4374   -6.9186  N     
9    C         7.0238   18.1479   -7.3556  C     
10   C         6.5013   19.1199   -8.3272  C     
11   O         6.6592   20.3028   -8.0505  O     
12   C         6.0546   17.9503   -6.1167  C     
13   C         6.5669   16.8383   -5.1532  C     
14   O        11.1232   17.3119   -6.8028  O     
15   N        13.8239   18.0112   -6.5619  N     
16   C        15.1442   19.0705   -4.8829  C     
17   C        14.7301   20.4221   -4.7926  C     
18   C        15.5466   18.4049   -3.6991  C     
19   C        15.5220   19.0661   -2.4593  C     
20   C        15.1067   20.4070   -2.3837  C     
21   C        14.7168   21.0863   -3.5525  C     
22   C         5.7044   19.2970   -5.3864  C     
23   C         4.9675   19.1797   -4.0291  C     
24   C         4.9604   17.6336  -11.3516  C     
25   C         5.7753   17.4992  -10.0456  C     
26   C         5.1590   19.7925  -10.2804  C     
27   C         5.0770   19.1234  -11.6717  C     
28   N         5.8510   18.8126   -9.4742  N     
29   C         3.8405   20.1262   -9.6780  C     
30   O         2.6671   20.0382  -10.3499  O     
31   O         3.7681   20.5773   -8.4049  O     
32   H        15.7502   17.4551   -6.1600  H     
33   H        15.6351   19.0362   -6.9301  H     
34   H        11.5524   17.5160   -8.8656  H     
35   H        10.9923   19.3296   -6.3063  H     
36   H         8.5808   18.2236   -5.9940  H     
37   H         7.1036   17.1711   -7.8364  H     
38   H         5.1084   17.5748   -6.5245  H     
39   H         6.9988   16.0016   -5.7163  H     
40   H         5.7506   16.4391   -4.5407  H     
41   H         7.3434   17.2294   -4.4824  H     
42   H        13.3286   17.4782   -5.9181  H     
43   H        14.4348   20.9319   -5.6251  H     
44   H        15.8554   17.4316   -3.7370  H     
45   H        15.8095   18.5730   -1.6153  H     
46   H        15.0890   20.8856   -1.4804  H     
47   H        14.4258   22.0611   -3.4936  H     
48   H         6.6140   19.8903   -5.2422  H     
49   H         5.0378   19.8736   -6.0359  H     
50   H         4.1852   18.4188   -4.0740  H     
51   H         4.5036   20.1380   -3.7731  H     
52   H         5.6766   18.9203   -3.2331  H     
53   H         5.3631   17.0062  -12.1573  H     
54   H         3.9102   17.3674  -11.1767  H     
55   H         5.2771   16.7923   -9.3715  H     
56   H         6.7822   17.1306  -10.2853  H     
57   H         5.7250   20.7201  -10.4014  H     
58   H         6.0053   19.2963  -12.2149  H     
59   H         4.2489   19.4748  -12.2932  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 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   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6455
  Crash		| -2.6329
  Polar		| 3.6417
  FragIndex	| 1
  FragRMSD	| 0.574