@<TRIPOS>MOLECULE
BindingDB_10861
 26 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.5363    2.4160   15.9236  C     
2    C        -4.1796    2.4538   15.5361  C     
3    C        -3.6853    3.5500   14.8018  C     
4    C        -4.5369    4.6195   14.4444  C     
5    C        -5.8947    4.5585   14.8341  C     
6    C        -6.3926    3.4750   15.5718  C     
7    O        -5.9106   -0.2195   15.9579  O     
8    O        -5.2548    0.8992   18.1803  O     
9    S        -6.1301    1.0683   16.8624  S     
10   N        -7.7755    1.0559   17.2133  N     
11   C        -4.0288    5.8056   13.6894  C     
12   C        -3.1454    6.7461   14.5490  C     
13   N        -1.7092    6.4874   14.3846  N     
14   H        -3.5417    1.6963   15.7935  H     
15   H        -2.6973    3.5675   14.5425  H     
16   H        -6.5402    5.3206   14.5977  H     
17   H        -7.3720    3.4733   15.8654  H     
18   H        -8.2192    0.1914   17.3339  H     
19   H        -8.3102    1.8523   17.0698  H     
20   H        -3.4726    5.4780   12.8045  H     
21   H        -4.8737    6.3930   13.3233  H     
22   H        -3.3140    7.7786   14.2540  H     
23   H        -3.3964    6.6561   15.6131  H     
24   H        -1.4981    5.5100   14.6007  H     
25   H        -1.1825    7.0945   15.0277  H     
26   H        -1.4256    6.6943   13.4269  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   11   12 1
    13   12   13 1
    14    2   14 1
    15    3   15 1
    16    5   16 1
    17    6   17 1
    18   10   18 1
    19   10   19 1
    20   11   20 1
    21   11   21 1
    22   12   22 1
    23   12   23 1
    24   13   24 1
    25   13   25 1
    26   13   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7766
  Crash		| -0.9003
  Polar		| 2.2975
  FragIndex	| 1
  FragRMSD	| 1.136