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


@<TRIPOS>ATOM
1    C         7.9495   19.8323   -7.7703  C     
2    C        10.2368   19.0460   -8.1652  C     
3    O        10.3651   19.7259   -9.1764  O     
4    C        11.3702   18.3746   -7.5630  C     
5    C        12.7443   18.4084   -8.2214  C     
6    C        13.9777   18.1789   -7.4954  C     
7    O        15.0028   18.5517   -8.0532  O     
8    N        14.0239   17.6818   -6.2647  N     
9    C        15.1842   17.5029   -5.4236  C     
10   C        15.2208   16.0959   -4.9819  C     
11   O        14.1713   15.6545   -4.5235  O     
12   C        15.1388   18.5411   -4.2392  C     
13   C        16.3248   18.3633   -3.2462  C     
14   O        11.8888   17.2575   -8.2989  O     
15   N         9.0929   19.0140   -7.4984  N     
16   C         7.0191   19.8572   -6.6134  C     
17   C         5.6392   19.5870   -6.7746  C     
18   C         7.4990   20.1899   -5.3217  C     
19   C         6.6237   20.2443   -4.2221  C     
20   C         5.2514   19.9978   -4.4043  C     
21   C         4.7587   19.6648   -5.6796  C     
22   C        15.0349   20.0076   -4.7912  C     
23   C        15.5978   21.1421   -3.8991  C     
24   C        18.5915   14.5952   -4.9382  C     
25   C        17.6153   15.6835   -5.4161  C     
26   C        16.3136   13.9564   -4.4088  C     
27   C        17.6956   13.3639   -4.7778  C     
28   N        16.3137   15.3065   -4.9367  N     
29   C        16.0638   13.9368   -2.9446  C     
30   O        15.0421   13.2154   -2.4312  O     
31   O        16.7651   14.7340   -2.1067  O     
32   H         8.2694   20.8632   -7.9531  H     
33   H         7.4508   19.4670   -8.6730  H     
34   H        11.3505   18.2041   -6.4841  H     
35   H        12.8132   18.9056   -9.1930  H     
36   H        13.1690   17.4502   -5.8643  H     
37   H        16.0860   17.7282   -6.0019  H     
38   H        14.2237   18.3492   -3.6644  H     
39   H        16.4158   17.3336   -2.9180  H     
40   H        16.1630   18.9679   -2.3573  H     
41   H        17.2656   18.6640   -3.7073  H     
42   H         9.0606   18.4689   -6.6935  H     
43   H         5.2569   19.3506   -7.6944  H     
44   H         8.4941   20.3798   -5.1721  H     
45   H         6.9876   20.4731   -3.2940  H     
46   H         4.6161   20.0566   -3.6102  H     
47   H         3.7604   19.4773   -5.8081  H     
48   H        15.5430   20.0790   -5.7626  H     
49   H        13.9736   20.2368   -4.9523  H     
50   H        15.1969   21.0745   -2.8838  H     
51   H        15.3191   22.1111   -4.3182  H     
52   H        16.6880   21.0956   -3.8564  H     
53   H        19.4001   14.4289   -5.6537  H     
54   H        19.0185   14.8743   -3.9697  H     
55   H        17.9381   16.6470   -5.0135  H     
56   H        17.6042   15.7392   -6.5106  H     
57   H        15.5422   13.3607   -4.9098  H     
58   H        17.6314   12.8376   -5.7338  H     
59   H        18.0910   12.6731   -4.0282  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	| 5.6762
  Crash		| -2.0539
  Polar		| 2.7547
  FragIndex	| 1
  FragRMSD	| 0.691