@<TRIPOS>MOLECULE
BindingDB_8726
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4822   95.0780   34.0914  C     
2    C        49.3894   96.4865   34.1267  C     
3    C        50.1657   97.2209   35.0420  C     
4    C        51.0361   96.5506   35.9237  C     
5    C        51.1288   95.1425   35.8888  C     
6    C        50.3689   94.4004   34.9580  C     
7    O        48.7318   94.3649   33.2140  O     
8    Cl       50.0587   98.9131   35.0779  Cl    
9    O        50.4070   93.0295   34.9373  O     
10   C        51.5149   92.4193   34.4006  C     
11   C        51.9344   91.1800   34.9447  C     
12   C        52.1928   92.9125   33.2555  C     
13   C        53.2745   92.2068   32.6903  C     
14   C        53.6897   90.9856   33.2541  C     
15   C        53.0150   90.4709   34.3818  C     
16   Cl       51.1321   90.5051   36.2729  Cl    
17   Cl       54.9662   90.1176   32.5566  Cl    
18   H        48.7498   96.9721   33.4910  H     
19   H        51.6009   97.0740   36.5953  H     
20   H        51.7617   94.6632   36.5322  H     
21   H        48.4923   94.9862   32.4908  H     
22   H        51.9078   93.7897   32.8242  H     
23   H        53.7510   92.5897   31.8675  H     
24   H        53.3163   89.5798   34.7865  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    3    8 1
     7    4    5 2
     8    5    6 1
     9    6    9 1
    10    9   10 1
    11   10   11 2
    12   10   12 1
    13   11   15 1
    14   11   16 1
    15   12   13 2
    16   13   14 1
    17   14   15 2
    18   14   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    7   21 1
    23   12   22 1
    24   13   23 1
    25   15   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5004
  Crash		| -0.5318
  Polar		| 0.0030
  FragIndex	| 1
  FragRMSD	| 0.111