@<TRIPOS>MOLECULE
BindingDB_25417
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4583   90.8537   34.2099  C     
2    C        48.1501   92.2221   34.0940  C     
3    C        48.7611   93.1799   34.9421  C     
4    C        49.5841   92.7116   35.9979  C     
5    C        49.8844   91.3439   36.1233  C     
6    C        49.3793   90.4195   35.1854  C     
7    O        47.9255   89.9677   33.3401  O     
8    O        49.8127   89.1201   35.1695  O     
9    C        50.9940   88.9009   34.4802  C     
10   C        51.8651   87.8890   34.9467  C     
11   C        51.3316   89.5815   33.2813  C     
12   C        52.5390   89.3176   32.6142  C     
13   C        53.4210   88.3455   33.1176  C     
14   C        53.0769   87.6249   34.2754  C     
15   Cl       51.4658   86.9630   36.3102  Cl    
16   C        48.6747   94.5728   34.6488  C     
17   C        48.6543   95.5571   35.6633  C     
18   C        48.7647   96.9232   35.3427  C     
19   C        48.8859   97.3484   34.0009  C     
20   C        48.8662   96.3733   32.9846  C     
21   C        48.7520   95.0112   33.3058  C     
22   Cl       54.8905   88.0489   32.3287  Cl    
23   C        49.0769   98.7798   33.6785  C     
24   H        47.5081   92.5218   33.3538  H     
25   H        50.0324   93.3677   36.6423  H     
26   H        50.5332   91.0331   36.8554  H     
27   H        48.4606   90.0598   32.5233  H     
28   H        50.7063   90.2897   32.8917  H     
29   H        52.7725   89.8372   31.7672  H     
30   H        53.7115   86.9062   34.6310  H     
31   H        48.6014   95.2876   36.6490  H     
32   H        48.8113   97.6045   36.1018  H     
33   H        48.9845   96.6404   32.0039  H     
34   H        48.7834   94.3369   32.5423  H     
35   H        48.1915   99.3435   33.9780  H     
36   H        49.2402   98.9425   32.6103  H     
37   H        49.9478   99.1631   34.2113  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   16 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   22 1
    19   16   17 1
    20   16   21 2
    21   17   18 2
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3843
  Crash		| -2.4763
  Polar		| 1.2939
  FragIndex	| 1
  FragRMSD	| 1.045