@<TRIPOS>MOLECULE
BindingDB_11381
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        16.4095    2.8384   17.6590  O     
2    S        15.3465    3.0535   16.4966  S     
3    O        15.3485    1.7082   15.6570  O     
4    N        13.8872    3.1694   17.3181  N     
5    O        12.8926    3.8569   16.8460  O     
6    C        15.8920    4.3950   15.5305  C     
7    C        17.2648    4.5872   15.2683  C     
8    C        17.7114    5.6840   14.4945  C     
9    C        16.7730    6.6191   13.9519  C     
10   C        15.3987    6.3922   14.2270  C     
11   C        14.9608    5.2935   14.9831  C     
12   Cl       19.3968    5.7810   14.2817  Cl    
13   N        17.1166    7.6974   13.1784  N     
14   O        16.2997    8.4587   12.7193  O     
15   O        18.3390    7.9988   12.8409  O     
16   H        13.7836    2.6922   18.1583  H     
17   H        13.1066    4.7893   17.0406  H     
18   H        17.9456    3.9242   15.6438  H     
19   H        14.6883    7.0307   13.8689  H     
20   H        13.9585    5.1619   15.1252  H     
@<TRIPOS>BOND
     1    1    2 2
     2    2    3 2
     3    2    4 1
     4    2    6 1
     5    4    5 1
     6    6    7 1
     7    6   11 2
     8    7    8 2
     9    8    9 1
    10    8   12 1
    11    9   10 2
    12    9   13 am
    13   10   11 1
    14   13   14 2
    15   13   15 1
    16    4   16 1
    17    5   17 1
    18    7   18 1
    19   10   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2276
  Crash		| -1.0189
  Polar		| 2.9407
  FragIndex	| 1
  FragRMSD	| 1.100