@<TRIPOS>MOLECULE
BindingDB_25898
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.4128    6.7941   15.3152  C     
2    C        16.4302    4.2738   14.6210  C     
3    C        15.5533    4.3866   15.7267  C     
4    C        15.0673    5.6700   16.0872  C     
5    Cl       14.0936    5.9431   17.4507  Cl    
6    N        13.5878    2.8279   17.2351  N     
7    S        15.1426    2.9379   16.6147  S     
8    O        15.3300    1.5944   15.7914  O     
9    O        16.1157    2.7833   17.8600  O     
10   C        16.8084    5.4038   13.8584  C     
11   C        16.2691    6.6654   14.2086  C     
12   C        17.5109    7.7591   12.4131  C     
13   C        17.6788    5.3470   12.7701  C     
14   N        16.5833    7.7767   13.4993  N     
15   N        18.0034    6.4455   12.0962  N     
16   O        18.1703    4.2952   12.3777  O     
17   C        18.6804    8.7393   12.7013  C     
18   C        19.3373    8.5685   14.0934  C     
19   H        15.0424    7.7191   15.5574  H     
20   H        16.8028    3.3507   14.3770  H     
21   H        13.4490    2.8490   18.2001  H     
22   H        12.8389    2.6935   16.6408  H     
23   H        16.9796    8.1240   11.5315  H     
24   H        16.1885    8.6198   13.7607  H     
25   H        18.6213    6.3640   11.3508  H     
26   H        19.4531    8.6021   11.9376  H     
27   H        18.3198    9.7703   12.6168  H     
28   H        18.6389    8.8654   14.8826  H     
29   H        20.2268    9.1992   14.1667  H     
30   H        19.6350    7.5298   14.2573  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   11 2
     3    2    3 1
     4    2   10 2
     5    3    4 2
     6    3    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   13 1
    13   11   14 1
    14   12   14 1
    15   12   15 1
    16   12   17 1
    17   13   15 1
    18   13   16 2
    19   17   18 1
    20    1   19 1
    21    2   20 1
    22    6   21 1
    23    6   22 1
    24   12   23 1
    25   14   24 1
    26   15   25 1
    27   17   26 1
    28   17   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5526
  Crash		| -0.5947
  Polar		| 4.0609
  FragIndex	| 1
  FragRMSD	| 1.240