@<TRIPOS>MOLECULE
BindingDB_50174775
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4105   96.4881   34.0786  C     
2    C        50.1821   97.2245   34.9969  C     
3    C        51.0437   96.5503   35.8855  C     
4    C        51.1255   95.1453   35.8618  C     
5    C        50.3551   94.4047   34.9400  C     
6    C        49.4924   95.0809   34.0519  C     
7    O        50.3680   93.0351   34.9317  O     
8    C        51.4695   92.3874   34.4188  C     
9    C        52.1727   92.8468   33.2800  C     
10   C        53.2447   92.1118   32.7454  C     
11   C        53.6187   90.8840   33.3287  C     
12   C        52.9126   90.4062   34.4537  C     
13   C        51.8445   91.1486   34.9941  C     
14   O        48.7445   94.3658   33.1721  O     
15   Cl       50.0554   98.9120   35.0379  Cl    
16   Cl       51.0135   90.5136   36.3288  Cl    
17   C        54.5943   90.1831   32.8262  C     
18   N        55.4502   89.5551   32.3932  N     
19   H        48.7813   96.9722   33.4327  H     
20   H        51.6036   97.0750   36.5590  H     
21   H        51.7392   94.6626   36.5219  H     
22   H        51.9046   93.7247   32.8301  H     
23   H        53.7376   92.4756   31.9254  H     
24   H        53.1687   89.5128   34.8835  H     
25   H        48.5410   94.9730   32.4304  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   15 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    6   14 1
    10    7    8 1
    11    8    9 2
    12    8   13 1
    13    9   10 1
    14   10   11 2
    15   11   12 1
    16   11   17 1
    17   12   13 2
    18   13   16 1
    19   17   18 3
    20    1   19 1
    21    3   20 1
    22    4   21 1
    23    9   22 1
    24   10   23 1
    25   12   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.6668
  Crash		| -0.4707
  Polar		| 0.0557
  FragIndex	| 1
  FragRMSD	| 0.136