@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2292   17.6522   -5.9091  C     
2    C        13.1242   18.4725   -7.9778  C     
3    O        13.3430   19.1597   -8.9668  O     
4    C        11.8351   17.8250   -7.8974  C     
5    C        10.7777   18.6507   -7.1596  C     
6    C         9.4100   18.6378   -7.6284  C     
7    O         9.2150   18.9573   -8.7963  O     
8    N         8.4144   18.2931   -6.8206  N     
9    C         7.0840   17.9101   -7.2401  C     
10   C         6.4498   18.9195   -8.1190  C     
11   O         6.4628   20.0783   -7.7135  O     
12   C         6.1905   17.4743   -6.0073  C     
13   C         6.7840   16.2223   -5.2731  C     
14   O        11.2259   17.3804   -6.6774  O     
15   N        14.1485   18.3676   -7.1433  N     
16   C         5.8125   18.6051   -4.9678  C     
17   C         4.5097   19.3832   -5.3290  C     
18   C         5.1444   17.5676  -11.3017  C     
19   C         5.9183   17.4058   -9.9837  C     
20   C         5.2355   19.6876  -10.1389  C     
21   C         5.2107   19.0732  -11.5620  C     
22   N         5.9046   18.6865   -9.3319  N     
23   C         3.8841   20.0030   -9.5929  C     
24   O         3.7979   20.7079   -8.4425  O     
25   O         2.7573   19.5670  -10.2144  O     
26   C         1.4125   19.7005   -9.7598  C     
27   C        14.6713   18.5522   -4.7080  C     
28   C        14.2255   20.0299   -4.8176  C     
29   H        13.2813   17.1846   -5.6428  H     
30   H        14.9645   16.8460   -6.0356  H     
31   H        11.4726   17.3382   -8.8104  H     
32   H        11.0627   19.4310   -6.4472  H     
33   H         8.6526   18.1458   -5.8908  H     
34   H         7.2420   16.9865   -7.8030  H     
35   H         5.2481   17.1009   -6.4359  H     
36   H         7.1501   15.4864   -5.9899  H     
37   H         6.0170   15.7388   -4.6603  H     
38   H         7.6141   16.5192   -4.6227  H     
39   H        14.9296   18.9044   -7.3632  H     
40   H         5.6325   18.1749   -3.9732  H     
41   H         6.6428   19.3089   -4.8671  H     
42   H         4.5248   19.6894   -6.3688  H     
43   H         4.3985   20.2779   -4.6965  H     
44   H         3.6353   18.7400   -5.1835  H     
45   H         5.5933   16.9965  -12.1206  H     
46   H         4.1064   17.2552  -11.1634  H     
47   H         5.4473   16.6391   -9.3633  H     
48   H         6.9432   17.1106  -10.2067  H     
49   H         5.8141   20.6162  -10.1864  H     
50   H         6.1437   19.3080  -12.0843  H     
51   H         4.3744   19.4199  -12.1760  H     
52   H         1.2633   19.0447   -8.9040  H     
53   H         0.7397   19.3931  -10.5543  H     
54   H         1.2045   20.7278   -9.4835  H     
55   H        14.2378   18.1279   -3.7834  H     
56   H        15.7692   18.5199   -4.6037  H     
57   H        14.8505   20.5537   -5.5521  H     
58   H        14.3316   20.5298   -3.8446  H     
59   H        13.1799   20.0840   -5.1358  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 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   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0569
  Crash		| -3.3795
  Polar		| 2.9454
  FragIndex	| 1
  FragRMSD	| 0.705