@<TRIPOS>MOLECULE
BindingDB_10863
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9225    4.3501   15.5588  C     
2    C        17.3127    4.4601   15.3442  C     
3    C        17.8168    5.5108   14.5532  C     
4    C        16.9430    6.4478   13.9672  C     
5    C        15.5511    6.3320   14.1635  C     
6    C        15.0516    5.2805   14.9549  C     
7    O        15.3229    1.7193   15.7062  O     
8    O        16.1851    2.8999   17.8440  O     
9    S        15.2865    3.0663   16.5466  S     
10   N        13.6876    3.2811   17.0050  N     
11   N        17.4590    7.4398   13.2217  N     
12   Cl       14.4432    7.4196   13.4793  Cl    
13   H        17.9680    3.7864   15.7572  H     
14   H        18.8265    5.5879   14.4121  H     
15   H        14.0373    5.2018   15.0827  H     
16   H        13.2430    2.6073   17.5386  H     
17   H        13.2688    4.1343   16.8548  H     
18   H        16.8723    8.0904   12.8112  H     
19   H        18.4174    7.5023   13.0947  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    5   12 1
    10    7    9 2
    11    8    9 2
    12    9   10 am
    13    2   13 1
    14    3   14 1
    15    6   15 1
    16   10   16 1
    17   10   17 1
    18   11   18 1
    19   11   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9364
  Crash		| -0.4995
  Polar		| 3.0533
  FragIndex	| 1
  FragRMSD	| 1.094