@<TRIPOS>MOLECULE
BindingDB_50029102
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.4093   44.0715   17.7246  C     
2    N        27.9462   43.9229   20.1479  N     
3    C        27.9474   45.3872   17.7225  C     
4    C        26.7719   43.5756   16.5640  C     
5    C        27.7779   46.1982   16.5783  C     
6    C        26.6311   44.3854   15.4217  C     
7    C        27.1192   45.7057   15.4383  C     
8    C        27.5194   43.2040   18.9259  C     
9    Cl       25.8577   43.7780   14.0428  Cl    
10   C        29.0657   44.8589   19.9455  C     
11   C        28.6700   45.9354   18.9031  C     
12   H        27.1497   44.4625   20.4954  H     
13   H        28.2107   43.2375   20.8560  H     
14   H        26.3877   42.6264   16.5547  H     
15   H        28.1484   47.1519   16.5650  H     
16   H        27.0035   46.3186   14.6275  H     
17   H        26.5432   42.7626   19.1412  H     
18   H        28.2220   42.3934   18.7196  H     
19   H        29.3078   45.3336   20.8990  H     
20   H        29.9483   44.3078   19.6089  H     
21   H        29.5847   46.4312   18.5694  H     
22   H        28.0333   46.6842   19.3811  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1    8 1
     4    2    8 1
     5    2   10 1
     6    3    5 2
     7    3   11 1
     8    4    6 1
     9    5    7 1
    10    6    7 2
    11    6    9 1
    12   10   11 1
    13    2   12 1
    14    2   13 1
    15    4   14 1
    16    5   15 1
    17    7   16 1
    18    8   17 1
    19    8   18 1
    20   10   19 1
    21   10   20 1
    22   11   21 1
    23   11   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5357
  Crash		| -0.4998
  Polar		| 2.9163
  FragIndex	| 1
  FragRMSD	| 0.364