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


@<TRIPOS>ATOM
1    C         7.7341   18.9630   -8.3955  C     
2    C         7.5462   20.4254   -7.9401  C     
3    O         8.9485   18.4172   -7.8763  O     
4    C        10.2203   18.7127   -8.2531  C     
5    O        10.4706   19.6046   -9.2406  O     
6    C        11.3182   18.1198   -7.4834  C     
7    C        12.7282   18.1593   -8.0525  C     
8    C        13.9180   18.0587   -7.2391  C     
9    O        14.9722   18.3581   -7.7899  O     
10   N        13.8952   17.7203   -5.9541  N     
11   C        15.0221   17.6206   -5.0646  C     
12   C        15.0101   16.2561   -4.5354  C     
13   O        14.0721   15.8730   -3.8482  O     
14   C        15.0008   18.7540   -3.9796  C     
15   C        16.2074   18.6353   -2.9972  C     
16   C        14.9366   20.1710   -4.6478  C     
17   C        15.2863   21.3813   -3.7452  C     
18   O        11.9382   16.9635   -8.0642  O     
19   N        16.0352   15.4520   -4.7830  N     
20   C        16.2196   14.0878   -4.3606  C     
21   C        16.2889   13.9679   -2.8853  C     
22   O        16.2516   12.7483   -2.3039  O     
23   O        16.3119   15.0464   -2.0651  O     
24   C        17.4810   13.4423   -5.0548  C     
25   C        17.1128   12.6882   -6.3636  C     
26   C        18.6910   14.4273   -5.2514  C     
27   C        18.8560   15.1043   -6.6448  C     
28   H         6.9018   18.3719   -8.0065  H     
29   H         7.7206   18.9028   -9.4872  H     
30   H         7.6683   20.4977   -6.8573  H     
31   H         6.5462   20.7758   -8.2040  H     
32   H         8.2824   21.0747   -8.4186  H     
33   H        11.2304   18.0828   -6.3949  H     
34   H        12.8379   18.5474   -9.0695  H     
35   H        13.0250   17.5346   -5.5699  H     
36   H        15.9506   17.7569   -5.6291  H     
37   H        14.0934   18.6286   -3.3877  H     
38   H        16.2285   17.6485   -2.5333  H     
39   H        16.1230   19.3653   -2.1899  H     
40   H        17.1498   18.7955   -3.5268  H     
41   H        15.6056   20.1976   -5.5171  H     
42   H        13.9146   20.3383   -5.0145  H     
43   H        14.7158   21.3447   -2.8143  H     
44   H        15.0471   22.3122   -4.2686  H     
45   H        16.3539   21.3931   -3.5120  H     
46   H        16.7411   15.8302   -5.3252  H     
47   H        15.3363   13.5330   -4.6790  H     
48   H        17.8463   12.6565   -4.3806  H     
49   H        16.3941   11.8910   -6.1490  H     
50   H        18.0031   12.2265   -6.8020  H     
51   H        16.6775   13.3781   -7.0908  H     
52   H        18.6393   15.2170   -4.4958  H     
53   H        19.6248   13.8791   -5.0607  H     
54   H        19.1320   14.3640   -7.4004  H     
55   H        19.6418   15.8623   -6.6031  H     
56   H        17.9437   15.5962   -6.9714  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	| 5.6237
  Crash		| -2.3660
  Polar		| 3.2137
  FragIndex	| 1
  FragRMSD	| 0.488