@<TRIPOS>MOLECULE
BindingDB_25403
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.7072   91.7304   34.2683  C     
2    C        48.4781   93.0213   34.7862  C     
3    C        49.0812   93.4123   35.9992  C     
4    C        49.9002   92.4986   36.6937  C     
5    C        50.1300   91.2125   36.1724  C     
6    C        49.5595   90.8307   34.9418  C     
7    O        48.0939   91.3623   33.1212  O     
8    O        49.7603   89.5700   34.4431  O     
9    C        51.0474   89.3171   34.0255  C     
10   C        51.7935   88.2711   34.6163  C     
11   C        51.5957   90.0059   32.9180  C     
12   C        52.8675   89.6740   32.4211  C     
13   C        53.6037   88.6327   33.0166  C     
14   C        53.0662   87.9329   34.1124  C     
15   Cl       51.1762   87.3858   35.9252  Cl    
16   Cl       55.1204   88.2127   32.3959  Cl    
17   C        48.8550   94.6004   36.4906  C     
18   N        48.6516   95.6391   36.9321  N     
19   H        47.8582   93.6586   34.2779  H     
20   H        50.3233   92.7504   37.5932  H     
21   H        50.7068   90.5536   36.6939  H     
22   H        47.1875   91.1037   33.3995  H     
23   H        51.0649   90.7545   32.4689  H     
24   H        53.2483   90.1892   31.6266  H     
25   H        53.6031   87.1762   34.5432  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 3
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.3483
  Crash		| -0.6044
  Polar		| 1.9040
  FragIndex	| 1
  FragRMSD	| 0.761