@<TRIPOS>MOLECULE
BindingDB_11597
 24 24 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.7433    6.5830   14.0389  C     
2    C        15.3679    6.4335   14.3038  C     
3    C        14.8931    5.3420   15.0441  C     
4    C        15.7928    4.3630   15.5171  C     
5    C        17.1743    4.5053   15.2451  C     
6    C        17.6532    5.6187   14.5222  C     
7    N        17.1573    7.6478   13.2880  N     
8    C        17.7470    8.7377   13.7437  C     
9    C        18.1211    9.7720   12.8154  C     
10   O        17.9707    8.8940   14.9355  O     
11   N        13.6114    3.0002   16.9073  N     
12   S        15.2427    3.0324   16.5077  S     
13   O        15.3657    1.6984   15.6538  O     
14   O        16.1714    2.8514   17.7834  O     
15   Cl       19.3250    5.7405   14.2342  Cl    
16   H        14.7089    7.1393   13.9654  H     
17   H        13.8981    5.2706   15.2398  H     
18   H        17.8318    3.7907   15.5755  H     
19   H        16.9589    7.6071   12.3279  H     
20   H        18.8078    9.3702   12.0691  H     
21   H        18.6180   10.6045   13.3183  H     
22   H        17.2356   10.1563   12.3092  H     
23   H        13.1705    2.1271   17.0057  H     
24   H        13.0718    3.7903   16.8276  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   12 1
     8    5    6 2
     9    6   15 1
    10    7    8 am
    11    8    9 1
    12    8   10 2
    13   11   12 am
    14   12   13 2
    15   12   14 2
    16    2   16 1
    17    3   17 1
    18    5   18 1
    19    7   19 1
    20    9   20 1
    21    9   21 1
    22    9   22 1
    23   11   23 1
    24   11   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2149
  Crash		| -0.3962
  Polar		| 2.9665
  FragIndex	| 1
  FragRMSD	| 1.082