@<TRIPOS>MOLECULE
BindingDB_11626
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3679    3.9603   13.2904  C     
2    C        -5.1027    2.4866   14.9164  C     
3    S        -5.5762    4.0762   14.5272  S     
4    N        -3.7470    2.7751   13.3044  N     
5    N        -4.1625    2.0035   14.2019  N     
6    N        -7.2593    2.1975   16.7528  N     
7    S        -5.7843    1.6079   16.2069  S     
8    O        -6.0812    0.1407   15.6722  O     
9    O        -4.7539    1.4334   17.4042  O     
10   N        -4.0015    4.8830   12.3780  N     
11   S        -4.5274    6.4814   12.2750  S     
12   O        -4.5877    6.7913   10.7174  O     
13   O        -6.0314    6.6633   12.7566  O     
14   C        -3.4497    7.5789   13.0942  C     
15   C        -1.8439    9.4281   13.0500  C     
16   C        -1.6471    9.2991   14.4425  C     
17   C        -2.3557    8.3083   15.1565  C     
18   C        -3.2464    7.4505   14.4834  C     
19   C        -2.7418    8.5717   12.3844  C     
20   N        -0.7909   10.1111   15.0911  N     
21   F        -2.1978    8.1684   16.4456  F     
22   Br       -0.9382   10.7146   12.0502  Br    
23   H        -8.0162    1.5971   16.8463  H     
24   H        -7.3780    3.1513   16.8961  H     
25   H        -3.3111    4.6185   11.7495  H     
26   H        -3.7466    6.7318   15.0133  H     
27   H        -2.8692    8.6759   11.3761  H     
28   H        -0.6622   10.0170   16.0483  H     
29   H        -0.3013   10.7936   14.6064  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   15   22 1
    20   16   17 1
    21   16   20 1
    22   17   18 2
    23   17   21 1
    24    6   23 1
    25    6   24 1
    26   10   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7834
  Crash		| -0.5561
  Polar		| 3.3880
  FragIndex	| 1
  FragRMSD	| 1.146