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


@<TRIPOS>ATOM
1    C         7.7847   18.9256   -8.2701  C     
2    C         7.5071   20.3647   -7.7904  C     
3    O         9.0233   18.4258   -7.7520  O     
4    C        10.2717   18.7355   -8.1935  C     
5    O        10.4702   19.5853   -9.2264  O     
6    C        11.4230   18.2349   -7.4321  C     
7    C        12.7755   17.9922   -8.0904  C     
8    C        13.9734   18.0262   -7.2809  C     
9    O        14.9899   18.4537   -7.8154  O     
10   N        13.9896   17.5874   -6.0249  N     
11   C        15.1172   17.5120   -5.1326  C     
12   C        15.1536   16.1463   -4.5875  C     
13   O        14.1063   15.7450   -4.0814  O     
14   C        15.0273   18.6349   -4.0318  C     
15   C        16.2131   18.5542   -3.0246  C     
16   C        14.9164   20.0637   -4.6863  C     
17   C        15.3332   21.2611   -3.7990  C     
18   O        11.8355   16.9313   -7.8752  O     
19   C        18.4887   14.6020   -4.4817  C     
20   C        17.5409   15.6939   -5.0019  C     
21   C        16.1965   13.9947   -3.9831  C     
22   C        17.5736   13.3828   -4.3488  C     
23   N        16.2317   15.3374   -4.5232  N     
24   C        15.9338   13.9090   -2.5234  C     
25   O        15.7956   12.7007   -1.9301  O     
26   O        15.7748   15.0152   -1.7528  O     
27   H         6.9869   18.2850   -7.9020  H     
28   H         7.7949   18.8909   -9.3630  H     
29   H         7.5487   20.4101   -6.6931  H     
30   H         6.5069   20.6790   -8.1060  H     
31   H         8.2344   21.0726   -8.1942  H     
32   H        11.3707   18.2799   -6.3383  H     
33   H        12.8274   18.3485   -9.1253  H     
34   H        13.1343   17.3047   -5.6607  H     
35   H        16.0321   17.7063   -5.6937  H     
36   H        14.1099   18.4644   -3.4626  H     
37   H        16.3161   17.5532   -2.6187  H     
38   H        16.0482   19.2268   -2.1856  H     
39   H        17.1474   18.8351   -3.5156  H     
40   H        15.5407   20.0960   -5.5800  H     
41   H        13.8833   20.2356   -4.9974  H     
42   H        14.8232   21.2300   -2.8316  H     
43   H        15.0817   22.2003   -4.2966  H     
44   H        16.4108   21.2568   -3.6306  H     
45   H        19.3206   14.4168   -5.1667  H     
46   H        18.8893   14.8795   -3.5031  H     
47   H        17.8747   16.6636   -4.6229  H     
48   H        17.5419   15.7070   -6.0948  H     
49   H        15.4175   13.4217   -4.4978  H     
50   H        17.5109   12.8696   -5.3133  H     
51   H        17.9589   12.6745   -3.6069  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	| 5.1547
  Crash		| -1.4114
  Polar		| 3.0380
  FragIndex	| 1
  FragRMSD	| 0.230