@<TRIPOS>MOLECULE
BindingDB_11608
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8852    6.5412   13.9549  C     
2    C        15.4928    6.3693   14.1305  C     
3    C        15.0022    5.2952   14.8996  C     
4    C        15.8900    4.3844   15.5045  C     
5    C        17.2761    4.5366   15.3083  C     
6    C        17.7781    5.6087   14.5406  C     
7    N        17.3575    7.5840   13.2359  N     
8    N        13.7179    3.3295   17.0664  N     
9    S        15.2884    3.1005   16.5235  S     
10   O        15.3062    1.7543   15.6904  O     
11   O        16.2227    2.9461   17.7974  O     
12   Cl       14.3680    7.4425   13.4454  Cl    
13   Cl       19.4570    5.7451   14.3599  Cl    
14   H        13.9947    5.1830   15.0289  H     
15   H        17.9317    3.8753   15.7347  H     
16   H        18.3120    7.6992   13.1146  H     
17   H        16.7406    8.2227   12.8415  H     
18   H        13.3210    2.6759   17.6593  H     
19   H        13.2683    4.1803   16.9054  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   12 1
     6    3    4 2
     7    4    5 1
     8    4    9 1
     9    5    6 2
    10    6   13 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	| 3.7697
  Crash		| -0.5521
  Polar		| 3.1152
  FragIndex	| 1
  FragRMSD	| 1.057