@<TRIPOS>MOLECULE
BindingDB_11610
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.9961    6.5518   14.0213  C     
2    C        15.6027    6.4460   14.2074  C     
3    C        15.0696    5.3742   14.9512  C     
4    C        15.9186    4.3968   15.5149  C     
5    C        17.3099    4.4939   15.3104  C     
6    C        17.8528    5.5695   14.5776  C     
7    N        17.4932    7.5849   13.3170  N     
8    N        13.6930    3.3068   17.0027  N     
9    S        15.2790    3.1074   16.4955  S     
10   O        15.3085    1.7636   15.6511  O     
11   O        16.1893    2.9141   17.7855  O     
12   Cl       19.5367    5.6562   14.4046  Cl    
13   I        14.3089    7.8400   13.4266  I     
14   H        14.0564    5.3188   15.0852  H     
15   H        17.9376    3.7887   15.7119  H     
16   H        18.4494    7.6624   13.1761  H     
17   H        16.8983    8.2554   12.9435  H     
18   H        13.2779    2.6150   17.5422  H     
19   H        13.2718    4.1748   16.9164  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   13 1
     6    3    4 2
     7    4    5 1
     8    4    9 1
     9    5    6 2
    10    6   12 1
    11    8    9 am
    12    9   10 2
    13    9   11 2
    14    3   14 1
    15    5   15 1
    16    7   16 1
    17    7   17 1
    18    8   18 1
    19    8   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.3406
  Crash		| -1.0452
  Polar		| 3.1132
  FragIndex	| 1
  FragRMSD	| 1.101