@<TRIPOS>MOLECULE
BindingDB_10859
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4911    2.5290   15.9065  C     
2    C        -4.1205    2.5658   15.5592  C     
3    C        -3.6109    3.6493   14.8228  C     
4    C        -4.4542    4.7094   14.4237  C     
5    C        -5.8251    4.6602   14.7629  C     
6    C        -6.3403    3.5801   15.5056  C     
7    O        -5.9774   -0.0908   15.8884  O     
8    O        -5.1602    0.9454   18.1091  O     
9    S        -6.0847    1.1784   16.8353  S     
10   N        -7.6955    1.2629   17.2947  N     
11   C        -3.8772    5.8368   13.6566  C     
12   H        -3.4921    1.8150   15.8430  H     
13   H        -2.6150    3.6628   14.5885  H     
14   H        -6.4605    5.4154   14.4814  H     
15   H        -7.3362    3.5673   15.7523  H     
16   H        -8.1407    0.4529   17.6197  H     
17   H        -8.2217    2.0539   17.0941  H     
18   H        -3.0897    6.3200   14.2434  H     
19   H        -4.6263    6.5931   13.4000  H     
20   H        -3.4398    5.4652   12.7252  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
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6009
  Crash		| -0.8734
  Polar		| 2.6850
  FragIndex	| 1
  FragRMSD	| 1.191