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


@<TRIPOS>ATOM
1    C        14.3345   18.9538   -4.5457  C     
2    C        14.6683   20.4612   -4.5456  C     
3    O        13.3110   18.6772   -5.5055  O     
4    C        13.4365   18.0941   -6.7268  C     
5    O        14.6557   17.7460   -7.1906  O     
6    C        12.2744   17.9203   -7.6115  C     
7    C        10.9180   18.5034   -7.2386  C     
8    C         9.9449   18.7740   -8.2699  C     
9    O        10.2971   19.4346   -9.2382  O     
10   N         8.6972   18.3679   -8.0998  N     
11   C         7.5982   18.5653   -9.0039  C     
12   C         7.0199   19.9287   -8.9038  C     
13   O         7.3148   20.7858   -7.9024  O     
14   O         6.2361   20.4071   -9.8964  O     
15   C         6.5183   17.4300   -8.8368  C     
16   C         7.1478   16.0416   -9.1667  C     
17   C         5.8036   17.3532   -7.4432  C     
18   C         4.8056   18.4895   -7.1084  C     
19   O        11.2324   17.1132   -7.0509  O     
20   H        15.2470   18.3929   -4.7545  H     
21   H        13.9714   18.6570   -3.5597  H     
22   H        15.0972   20.7458   -5.5073  H     
23   H        15.3858   20.6817   -3.7551  H     
24   H        13.7633   21.0455   -4.3767  H     
25   H        12.4499   17.6474   -8.6534  H     
26   H        10.8125   19.0214   -6.2854  H     
27   H         8.5189   17.8376   -7.3054  H     
28   H         7.9829   18.4801  -10.0305  H     
29   H         5.7432   17.5931   -9.5934  H     
30   H         7.5633   16.0333  -10.1771  H     
31   H         6.3918   15.2563   -9.1135  H     
32   H         7.9460   15.8026   -8.4618  H     
33   H         5.2285   16.4231   -7.4081  H     
34   H         6.5537   17.3025   -6.6471  H     
35   H         5.3249   19.4474   -7.0131  H     
36   H         4.3109   18.2603   -6.1563  H     
37   H         4.0390   18.5631   -7.8878  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	| 5.0921
  Crash		| -1.1499
  Polar		| 5.2443
  FragIndex	| 1
  FragRMSD	| 0.107