@<TRIPOS>MOLECULE
BindingDB_25402
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4252   90.9305   34.1031  C     
2    C        47.9285   92.2455   34.1005  C     
3    C        48.5237   93.2470   34.9053  C     
4    C        49.6065   92.8895   35.7433  C     
5    C        50.0844   91.5685   35.7721  C     
6    C        49.5244   90.5966   34.9175  C     
7    O        47.8658   90.0058   33.2799  O     
8    O        50.0032   89.3198   34.8783  O     
9    C        51.1985   89.1060   34.2272  C     
10   C        52.0048   88.0516   34.7007  C     
11   C        51.6183   89.8269   33.0748  C     
12   C        52.8454   89.5288   32.4506  C     
13   C        53.6547   88.4885   32.9496  C     
14   C        53.2256   87.7505   34.0675  C     
15   Cl       51.5289   87.1223   36.0348  Cl    
16   Cl       55.1302   88.1280   32.1989  Cl    
17   C        48.0395   94.5793   34.8642  C     
18   C        48.9205   95.6672   34.6369  C     
19   C        48.4348   96.9875   34.5989  C     
20   C        47.0669   97.2397   34.7890  C     
21   C        46.1816   96.1747   35.0201  C     
22   C        46.6631   94.8539   35.0503  C     
23   H        47.1407   92.4740   33.4934  H     
24   H        50.0443   93.5849   36.3534  H     
25   H        50.8607   91.3224   36.3915  H     
26   H        48.5743   89.7620   32.6478  H     
27   H        51.0391   90.5752   32.6874  H     
28   H        53.1431   90.0620   31.6360  H     
29   H        53.8067   86.9825   34.4195  H     
30   H        49.9178   95.5042   34.4829  H     
31   H        49.0800   97.7624   34.4334  H     
32   H        46.7125   98.2015   34.7723  H     
33   H        45.1887   96.3569   35.1678  H     
34   H        46.0042   94.0918   35.2267  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 1
    20   17   22 2
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28    7   26 1
    29   11   27 1
    30   12   28 1
    31   14   29 1
    32   18   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4491
  Crash		| -1.1071
  Polar		| 1.2713
  FragIndex	| 1
  FragRMSD	| 0.124