@<TRIPOS>MOLECULE
BindingDB_10857
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9062    4.3517   15.5579  C     
2    C        15.0225    5.2818   14.9665  C     
3    C        15.5143    6.3424   14.1856  C     
4    C        16.9039    6.4825   13.9788  C     
5    C        17.7896    5.5523   14.5575  C     
6    C        17.2965    4.4906   15.3374  C     
7    O        15.3323    1.7370   15.6612  O     
8    O        16.2124    2.8551   17.8293  O     
9    S        15.3050    3.0554   16.5448  S     
10   N        13.7208    3.2987   17.0185  N     
11   N        17.3782    7.4948   13.2367  N     
12   H        14.0113    5.2032   15.1037  H     
13   H        14.8608    7.0110   13.7732  H     
14   H        18.7986    5.6418   14.4172  H     
15   H        17.9537    3.8262   15.7558  H     
16   H        13.2509    2.6235   17.5161  H     
17   H        13.3067    4.1633   16.8746  H     
18   H        18.3314    7.5878   13.0953  H     
19   H        16.7723    8.1356   12.8396  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    7    9 2
    10    8    9 2
    11    9   10 am
    12    2   12 1
    13    3   13 1
    14    5   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	| 3.7245
  Crash		| -0.4567
  Polar		| 3.0116
  FragIndex	| 1
  FragRMSD	| 1.143