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


@<TRIPOS>ATOM
1    C         7.6521   18.9491   -8.2649  C     
2    C         7.3901   20.4142   -7.8586  C     
3    O         8.9294   18.4872   -7.8048  O     
4    C        10.1608   18.8566   -8.2246  C     
5    O        10.3410   19.7494   -9.2261  O     
6    C        11.3223   18.2779   -7.5336  C     
7    C        12.6933   18.2904   -8.1939  C     
8    C        13.9258   18.1038   -7.4620  C     
9    O        14.9463   18.5713   -7.9679  O     
10   N        13.9591   17.5294   -6.2786  N     
11   C        15.1000   17.2913   -5.4240  C     
12   C        15.0537   15.8964   -5.0016  C     
13   O        14.0714   15.4651   -4.3944  O     
14   C        15.0842   18.3479   -4.2486  C     
15   C        15.7540   17.8419   -2.9375  C     
16   C        15.7294   19.7133   -4.6968  C     
17   C        15.0625   20.9834   -4.1144  C     
18   O        11.8514   17.1255   -8.2033  O     
19   N        16.1187   15.1207   -5.1923  N     
20   C        16.3212   13.7648   -4.7739  C     
21   C        16.3325   13.7263   -3.2931  C     
22   O        15.4438   12.9604   -2.6192  O     
23   O        17.0961   14.5834   -2.5802  O     
24   C        17.6121   13.1243   -5.4199  C     
25   C        17.2769   12.3437   -6.7191  C     
26   C        18.8264   14.1121   -5.6380  C     
27   C        18.8501   14.9338   -6.9511  C     
28   H         6.8917   18.3186   -7.8113  H     
29   H         7.5835   18.8414   -9.3530  H     
30   H         7.5139   20.5315   -6.7784  H     
31   H         6.3673   20.6972   -8.1283  H     
32   H         8.0828   21.0846   -8.3671  H     
33   H        11.2729   18.1762   -6.4518  H     
34   H        12.7477   18.7586   -9.1746  H     
35   H        13.1130   17.2378   -5.9125  H     
36   H        16.0322   17.4429   -5.9838  H     
37   H        14.0342   18.5348   -3.9903  H     
38   H        15.1888   17.0155   -2.5097  H     
39   H        15.7747   18.6318   -2.1679  H     
40   H        16.7767   17.5103   -3.1249  H     
41   H        16.7934   19.7263   -4.4343  H     
42   H        15.6871   19.8188   -5.7870  H     
43   H        14.0764   21.1166   -4.5575  H     
44   H        15.6649   21.8660   -4.3580  H     
45   H        14.9642   20.9156   -3.0309  H     
46   H        16.8863   15.5672   -5.5653  H     
47   H        15.4625   13.1669   -5.1028  H     
48   H        17.9677   12.3662   -4.7173  H     
49   H        16.5712   11.5244   -6.5060  H     
50   H        18.1778   11.8986   -7.1433  H     
51   H        16.8159   12.9925   -7.4519  H     
52   H        18.9020   14.7951   -4.7930  H     
53   H        19.7520   13.5162   -5.6208  H     
54   H        19.0431   14.2912   -7.8042  H     
55   H        19.6583   15.6772   -6.9134  H     
56   H        17.9177   15.4698   -7.1284  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	| 5.5821
  Crash		| -2.1322
  Polar		| 2.7049
  FragIndex	| 1
  FragRMSD	| 0.650