@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2421   19.0124   -4.3214  C     
2    C        13.9847   17.9847   -6.1667  C     
3    O        14.9026   18.1342   -6.9722  O     
4    C        12.7931   17.3434   -6.6593  C     
5    C        11.4625   18.0833   -6.5760  C     
6    C        10.4641   17.7958   -7.5665  C     
7    O        10.5973   18.3076   -8.6749  O     
8    N         9.3915   17.0870   -7.2370  N     
9    C         8.2903   16.7276   -8.0944  C     
10   C         7.5109   17.9125   -8.5234  C     
11   O         7.5879   18.9066   -7.8032  O     
12   C         7.4189   15.6018   -7.4117  C     
13   C         8.2906   14.3567   -7.0415  C     
14   C         6.4718   16.0749   -6.2414  C     
15   C         6.9212   15.7929   -4.7807  C     
16   O        11.8013   17.0077   -5.6835  O     
17   C         5.3824   17.3820  -11.4780  C     
18   C         6.5800   16.9590  -10.6102  C     
19   C         5.9003   19.1476   -9.9214  C     
20   C         5.3927   18.9115  -11.3691  C     
21   N         6.6998   17.9793   -9.6039  N     
22   C         4.7678   19.3690   -8.9785  C     
23   O         3.8824   20.3607   -9.2192  O     
24   O         4.6641   18.6633   -7.8223  O     
25   N        14.1057   18.3635   -4.8971  N     
26   C        15.0448   20.5539   -4.2578  C     
27   C        16.3347   21.3466   -4.5704  C     
28   H        15.3770   18.6253   -3.3084  H     
29   H        16.1508   18.7506   -4.8734  H     
30   H        12.8952   16.5516   -7.4071  H     
31   H        11.4753   19.0694   -6.1032  H     
32   H         9.3675   16.7467   -6.3319  H     
33   H         8.7272   16.2791   -8.9960  H     
34   H         6.7442   15.2325   -8.1817  H     
35   H         8.8407   13.9945   -7.9234  H     
36   H         7.6485   13.5473   -6.6637  H     
37   H         9.0243   14.6295   -6.2665  H     
38   H         6.2930   17.1566   -6.3200  H     
39   H         5.4833   15.6017   -6.3699  H     
40   H         6.8598   14.7160   -4.5942  H     
41   H         6.2384   16.3083   -4.0909  H     
42   H         7.9461   16.1471   -4.6107  H     
43   H         5.4947   17.0407  -12.5124  H     
44   H         4.4462   16.9822  -11.0645  H     
45   H         6.3733   15.9776  -10.1829  H     
46   H         7.4984   16.9316  -11.2065  H     
47   H         6.5166   20.0576   -9.9249  H     
48   H         6.1109   19.3230  -12.0956  H     
49   H         4.4003   19.3346  -11.5721  H     
50   H        13.3325   18.2448   -4.3224  H     
51   H        14.2810   20.8725   -4.9746  H     
52   H        14.6932   20.8302   -3.2596  H     
53   H        17.1365   21.0642   -3.8864  H     
54   H        16.1449   22.4149   -4.4690  H     
55   H        16.6535   21.1534   -5.5961  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 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   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5755
  Crash		| -1.0770
  Polar		| 2.6743
  FragIndex	| 1
  FragRMSD	| 0.575