@<TRIPOS>MOLECULE
BindingDB_50028913
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.5142   44.0012   17.7056  C     
2    C        26.8748   43.4986   16.5350  C     
3    N        28.7689   43.6605   19.8901  N     
4    C        27.8071   43.1153   18.8784  C     
5    C        27.8562   45.3821   17.7735  C     
6    C        26.6485   44.3524   15.4250  C     
7    C        27.6305   46.2109   16.6551  C     
8    C        27.0347   45.7038   15.4930  C     
9    C        28.4644   46.0010   18.9820  C     
10   Cl       26.3484   41.8775   16.4595  Cl    
11   C        28.4450   45.0788   20.2248  C     
12   Cl       25.9078   43.8155   13.9942  Cl    
13   C        30.2254   43.3570   19.6595  C     
14   C        30.8127   43.4557   18.2241  C     
15   C        32.3212   43.1060   18.1652  C     
16   H        28.5642   43.1338   20.7422  H     
17   H        26.8565   42.9171   19.3826  H     
18   H        28.1874   42.1496   18.5326  H     
19   H        27.8903   47.2001   16.6832  H     
20   H        26.8745   46.3450   14.7104  H     
21   H        29.4917   46.2925   18.7529  H     
22   H        27.9174   46.9112   19.2361  H     
23   H        27.4406   45.1006   20.6573  H     
24   H        29.1206   45.4760   20.9898  H     
25   H        30.8269   43.9964   20.3072  H     
26   H        30.3889   42.3305   20.0018  H     
27   H        30.2717   42.7726   17.5688  H     
28   H        30.6805   44.4644   17.8376  H     
29   H        32.9177   43.8947   18.6408  H     
30   H        32.6429   43.0080   17.1224  H     
31   H        32.5220   42.1587   18.6766  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    6 1
     5    2   10 1
     6    3    4 1
     7    3   11 1
     8    3   13 1
     9    5    7 2
    10    5    9 1
    11    6    8 2
    12    6   12 1
    13    7    8 1
    14    9   11 1
    15   13   14 1
    16   14   15 1
    17    3   16 1
    18    4   17 1
    19    4   18 1
    20    7   19 1
    21    8   20 1
    22    9   21 1
    23    9   22 1
    24   11   23 1
    25   11   24 1
    26   13   25 1
    27   13   26 1
    28   14   27 1
    29   14   28 1
    30   15   29 1
    31   15   30 1
    32   15   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6811
  Crash		| -1.3709
  Polar		| 3.5124
  FragIndex	| 1
  FragRMSD	| 0.083