@<TRIPOS>MOLECULE
BindingDB_11373
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -7.5575   -0.6368   17.2126  O     
2    S        -6.0526   -0.2056   17.4957  S     
3    O        -5.9090    0.1787   19.0325  O     
4    N        -5.1140   -1.5672   17.2466  N     
5    O        -5.6950   -2.6544   16.8250  O     
6    C        -5.4820    1.1102   16.5125  C     
7    C        -6.3810    2.1329   16.1500  C     
8    C        -5.9395    3.2181   15.3723  C     
9    C        -4.5968    3.2886   14.9514  C     
10   C        -3.7011    2.2548   15.2895  C     
11   C        -4.1447    1.1608   16.0597  C     
12   F        -4.1921    4.3057   14.2410  F     
13   H        -4.1629   -1.4445   17.0814  H     
14   H        -5.2538   -3.3834   17.2996  H     
15   H        -7.3585    2.1014   16.4533  H     
16   H        -6.6065    3.9499   15.1002  H     
17   H        -2.7272    2.2992   14.9810  H     
18   H        -3.4777    0.4218   16.3025  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    9   12 1
    12   10   11 1
    13    4   13 1
    14    5   14 1
    15    7   15 1
    16    8   16 1
    17   10   17 1
    18   11   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2900
  Crash		| -0.7294
  Polar		| 3.1941
  FragIndex	| 1
  FragRMSD	| 0.476