@<TRIPOS>MOLECULE
BindingDB_16508
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4417   19.1105   -4.5113  C     
2    C        14.7670   20.6150   -4.4919  C     
3    O        13.3362   18.7988   -5.3723  O     
4    C        13.3861   18.2316   -6.6131  C     
5    O        14.5677   17.8362   -7.1519  O     
6    C        12.1522   17.9775   -7.3722  C     
7    C        10.9059   18.8183   -7.0792  C     
8    C         9.9016   18.9874   -8.1129  C     
9    O        10.2988   19.3210   -9.2343  O     
10   N         8.6671   18.5683   -7.8775  N     
11   C         7.6690   18.1486   -8.8480  C     
12   C         6.6104   19.1724   -9.0477  C     
13   O         6.8691   20.3052   -8.6459  O     
14   C         7.1903   16.7076   -8.4121  C     
15   C         8.3219   15.6325   -8.3962  C     
16   C         6.3248   16.6504   -7.1094  C     
17   C         5.4684   17.8971   -6.7788  C     
18   O        11.0459   17.4549   -6.6360  O     
19   C         3.2695   19.5057  -10.5963  C     
20   C         4.4339   20.0542   -9.7515  C     
21   C         4.9483   17.7935  -10.2981  C     
22   C         3.4262   17.9915  -10.4712  C     
23   N         5.4123   18.9933   -9.6480  N     
24   C         5.6186   17.5349  -11.5978  C     
25   O         6.4355   18.4632  -12.1592  O     
26   O         5.3954   16.3808  -12.2590  O     
27   H        15.3200   18.5383   -4.8167  H     
28   H        14.1690   18.8027   -3.5037  H     
29   H        15.0965   20.9551   -5.4747  H     
30   H        15.5588   20.8139   -3.7668  H     
31   H        13.8782   21.1797   -4.2117  H     
32   H        12.2362   17.5536   -8.3844  H     
33   H        10.8900   19.4979   -6.2170  H     
34   H         8.4467   18.3936   -6.9426  H     
35   H         8.1629   18.0388   -9.8228  H     
36   H         6.5511   16.3264   -9.2030  H     
37   H         8.8979   15.6761   -9.3246  H     
38   H         7.8944   14.6278   -8.3170  H     
39   H         9.0101   15.7750   -7.5630  H     
40   H         5.6570   15.7869   -7.1680  H     
41   H         6.9844   16.4692   -6.2557  H     
42   H         6.0845   18.8011   -6.7720  H     
43   H         5.0206   17.7861   -5.7847  H     
44   H         4.6683   18.0155   -7.5143  H     
45   H         2.2905   19.8423  -10.2344  H     
46   H         3.3879   19.8024  -11.6450  H     
47   H         4.8539   20.9429  -10.2388  H     
48   H         4.0778   20.3252   -8.7531  H     
49   H         5.0462   16.9139   -9.6808  H     
50   H         2.9029   17.6481   -9.5693  H     
51   H         3.0092   17.4654  -11.3353  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   23 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   19   22 1
    22   20   23 1
    23   21   22 1
    24   21   23 1
    25   21   24 1
    26   24   25 2
    27   24   26 1
    28    1   27 1
    29    1   28 1
    30    2   29 1
    31    2   30 1
    32    2   31 1
    33    6   32 1
    34    7   33 1
    35   10   34 1
    36   11   35 1
    37   14   36 1
    38   15   37 1
    39   15   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   19   45 1
    47   19   46 1
    48   20   47 1
    49   20   48 1
    50   21   49 1
    51   22   50 1
    52   22   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7036
  Crash		| -3.2146
  Polar		| 5.9421
  FragIndex	| 1
  FragRMSD	| 0.685