@<TRIPOS>MOLECULE
BindingDB_16497
 37 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.7643   16.3636   -5.4505  C     
2    C        17.3403   15.4003   -4.3972  C     
3    O        15.3433   16.2328   -5.4978  O     
4    C        14.5101   16.9709   -6.2810  C     
5    O        14.9724   17.9048   -7.1457  O     
6    C        13.0657   16.7171   -6.2327  C     
7    C        12.1272   17.9034   -6.1144  C     
8    C        10.7596   17.7946   -6.5633  C     
9    O        10.5498   17.2212   -7.6254  O     
10   N         9.8035   18.3426   -5.8390  N     
11   C         8.3855   18.2820   -6.1241  C     
12   C         7.9805   19.2735   -7.1635  C     
13   O         8.7746   19.5579   -8.2223  O     
14   O         6.6914   19.6849   -7.2719  O     
15   C         7.5416   18.3924   -4.8090  C     
16   C         8.1085   17.5108   -3.6561  C     
17   C         7.3111   19.8681   -4.3142  C     
18   C         5.8053   20.2167   -4.1696  C     
19   O        12.4398   17.0647   -4.9951  O     
20   H        17.0290   17.3895   -5.1897  H     
21   H        17.1968   16.1251   -6.4240  H     
22   H        16.9686   15.6629   -3.4055  H     
23   H        18.4310   15.4598   -4.3939  H     
24   H        17.0433   14.3769   -4.6304  H     
25   H        12.6740   15.7867   -6.6452  H     
26   H        12.5498   18.8973   -5.9781  H     
27   H        10.0853   18.7845   -5.0150  H     
28   H         8.1734   17.2939   -6.5427  H     
29   H         6.5682   17.9367   -5.0461  H     
30   H         8.1740   16.4598   -3.9658  H     
31   H         7.4688   17.5562   -2.7733  H     
32   H         9.1049   17.8492   -3.3683  H     
33   H         7.7971   20.0381   -3.3344  H     
34   H         7.7427   20.5910   -5.0133  H     
35   H         5.2838   20.0634   -5.1266  H     
36   H         5.6991   21.2690   -3.8859  H     
37   H         5.3376   19.5836   -3.4097  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   19 1
     8    7    8 1
     9    7   19 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   15 1
    15   12   13 2
    16   12   14 1
    17   15   16 1
    18   15   17 1
    19   17   18 1
    20    1   20 1
    21    1   21 1
    22    2   22 1
    23    2   23 1
    24    2   24 1
    25    6   25 1
    26    7   26 1
    27   10   27 1
    28   11   28 1
    29   15   29 1
    30   16   30 1
    31   16   31 1
    32   16   32 1
    33   17   33 1
    34   17   34 1
    35   18   35 1
    36   18   36 1
    37   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2538
  Crash		| -0.8796
  Polar		| 3.2113
  FragIndex	| 1
  FragRMSD	| 0.206