@<TRIPOS>MOLECULE
BindingDB_16646
 30 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.8240    2.3112   15.8998  C     
2    C        -6.2995    3.6216   15.6980  C     
3    C        -5.5497    4.5431   14.9357  C     
4    C        -4.3134    4.1731   14.3446  C     
5    C        -3.8343    2.8648   14.5897  C     
6    C        -4.5765    1.9491   15.3538  C     
7    S        -6.7666    1.1637   16.8120  S     
8    O        -8.3082    1.3880   16.5152  O     
9    O        -6.4065   -0.3365   16.4433  O     
10   N        -6.5542    1.3633   18.4615  N     
11   N        -3.6724    5.1558   13.6361  N     
12   C        -2.6591    5.1006   12.7738  C     
13   O        -2.2163    4.0320   12.3525  O     
14   C        -2.0744    6.2936   12.1801  C     
15   C        -2.2404    7.6536   12.9199  C     
16   C        -1.4208    7.7941   14.2232  C     
17   H        -7.1912    3.9220   16.0977  H     
18   H        -5.9184    5.4908   14.8105  H     
19   H        -2.9363    2.5561   14.2341  H     
20   H        -4.1987    1.0075   15.5043  H     
21   H        -7.2772    1.1167   19.0618  H     
22   H        -5.8327    1.9219   18.7903  H     
23   H        -4.0303    6.0410   13.7740  H     
24   H        -0.9983    6.1341   12.0495  H     
25   H        -2.5070    6.4028   11.1803  H     
26   H        -1.9155    8.4461   12.2396  H     
27   H        -3.2997    7.8328   13.1376  H     
28   H        -1.7137    7.0397   14.9559  H     
29   H        -1.5921    8.7791   14.6581  H     
30   H        -0.3554    7.6889   14.0141  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   15   16 1
    17    2   17 1
    18    3   18 1
    19    5   19 1
    20    6   20 1
    21   10   21 1
    22   10   22 1
    23   11   23 1
    24   14   24 1
    25   14   25 1
    26   15   26 1
    27   15   27 1
    28   16   28 1
    29   16   29 1
    30   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2353
  Crash		| -1.0627
  Polar		| 1.7350
  FragIndex	| 1
  FragRMSD	| 1.232