@<TRIPOS>MOLECULE
BindingDB_11372
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -7.6191   -0.5795   17.2979  O     
2    S        -6.0877   -0.2280   17.5458  S     
3    O        -5.8085    0.1486   19.0638  O     
4    N        -5.1227   -1.5568   17.1973  N     
5    O        -5.6829   -2.6463   16.7865  O     
6    C        -5.5363    1.0883   16.5514  C     
7    C        -6.4114    2.1308   16.1724  C     
8    C        -5.9478    3.1797   15.3570  C     
9    C        -4.6126    3.1929   14.9136  C     
10   C        -3.7365    2.1549   15.2853  C     
11   C        -4.1953    1.1083   16.1057  C     
12   H        -4.1885   -1.4083   16.9805  H     
13   H        -5.2362   -3.3729   17.2711  H     
14   H        -7.3861    2.1381   16.4849  H     
15   H        -6.5822    3.9364   15.0884  H     
16   H        -4.2780    3.9567   14.3220  H     
17   H        -2.7656    2.1654   14.9634  H     
18   H        -3.5434    0.3650   16.3732  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    9   10 2
    11   10   11 1
    12    4   12 1
    13    5   13 1
    14    7   14 1
    15    8   15 1
    16    9   16 1
    17   10   17 1
    18   11   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1839
  Crash		| -0.7906
  Polar		| 3.1915
  FragIndex	| 1
  FragRMSD	| 0.456