@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.6651   17.0049   -5.0040  C     
2    C        17.6277   15.9646   -5.6043  C     
3    O        15.2972   16.6431   -5.2448  O     
4    C        14.4946   17.1160   -6.2348  C     
5    O        14.9512   17.9425   -7.2138  O     
6    C        13.0865   16.7288   -6.2641  C     
7    C        12.0501   17.8434   -6.1738  C     
8    C        10.6967   17.6522   -6.6301  C     
9    O        10.5140   17.0235   -7.6677  O     
10   N         9.7111   18.1853   -5.9241  N     
11   C         8.3053   18.0521   -6.2165  C     
12   C         7.8785   18.7717   -7.4179  C     
13   O         8.6815   19.4260   -8.0717  O     
14   C         7.4472   18.4383   -4.9569  C     
15   C         7.8506   17.6133   -3.6973  C     
16   C         7.3942   19.9709   -4.6348  C     
17   C         5.9936   20.4586   -4.1954  C     
18   O        12.3787   17.0084   -5.0483  O     
19   N         6.5806   18.7402   -7.7574  N     
20   C         5.9536   19.4034   -8.8605  C     
21   C         4.6130   19.9103   -8.4472  C     
22   O         4.0498   19.6233   -7.2513  O     
23   O         4.0255   20.8918   -9.1760  O     
24   C         5.9647   18.4279  -10.0998  C     
25   C         5.3327   17.0407   -9.8132  C     
26   C         5.4547   19.0816  -11.4383  C     
27   C         4.0482   18.6631  -11.9549  C     
28   H        16.8061   17.0479   -3.9176  H     
29   H        16.9144   17.9977   -5.4027  H     
30   H        17.4698   14.9902   -5.1247  H     
31   H        18.6693   16.2775   -5.4479  H     
32   H        17.4412   15.8681   -6.6780  H     
33   H        12.7972   15.7673   -6.7042  H     
34   H        12.4130   18.8628   -6.0147  H     
35   H         9.9738   18.6656   -5.1173  H     
36   H         8.1312   16.9800   -6.4032  H     
37   H         6.4349   18.1114   -5.1812  H     
38   H         7.8103   16.5404   -3.9018  H     
39   H         7.1650   17.8165   -2.8711  H     
40   H         8.8614   17.8668   -3.3678  H     
41   H         8.1247   20.2199   -3.8481  H     
42   H         7.6685   20.5584   -5.5122  H     
43   H         5.2554   20.2608   -4.9776  H     
44   H         6.0193   21.5338   -4.0196  H     
45   H         5.6837   19.9472   -3.2787  H     
46   H         6.0275   18.1598   -7.2203  H     
47   H         6.5408   20.2859   -9.1286  H     
48   H         7.0293   18.2328  -10.2692  H     
49   H         5.8599   16.5233   -9.0048  H     
50   H         5.3908   16.4000  -10.6888  H     
51   H         4.2945   17.1457   -9.5215  H     
52   H         5.4778   20.1751  -11.3429  H     
53   H         6.1742   18.8381  -12.2279  H     
54   H         4.0369   17.6092  -12.2334  H     
55   H         3.7843   19.2401  -12.8481  H     
56   H         3.2932   18.8412  -11.1839  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   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7089
  Crash		| -1.4461
  Polar		| 5.2321
  FragIndex	| 1
  FragRMSD	| 1.023