@<TRIPOS>MOLECULE
BindingDB_68262
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.4704   -3.0667   -5.0774  C     
2    C        19.6095   -3.9010   -5.1223  C     
3    C        19.9863   -4.6356   -3.9870  C     
4    C        19.2447   -4.5463   -2.8013  C     
5    C        18.0975   -3.7172   -2.7444  C     
6    C        17.7027   -2.9463   -3.8765  C     
7    C        18.1188   -2.3808   -6.2574  C     
8    O        20.3398   -4.0211   -6.2653  O     
9    O        19.6704   -5.3057   -1.7514  O     
10   O        17.5615   -3.0671   -7.2909  O     
11   O        18.3868   -1.0558   -6.3481  O     
12   C        17.1184   -2.5477   -8.5581  C     
13   C        15.6266   -2.8880   -8.8202  C     
14   C        14.7347   -2.6585   -7.6917  C     
15   C        14.7378   -1.5217   -6.9738  C     
16   C        16.4151   -2.1632   -3.8683  C     
17   C        15.2681   -2.9359   -4.3425  C     
18   C        13.9744   -2.3369   -4.6437  C     
19   O        15.3304   -4.1666   -4.3752  O     
20   Cl       17.1861   -3.7406   -1.3080  Cl    
21   C        13.9276   -1.2816   -5.7910  C     
22   H        20.8017   -5.2423   -4.0229  H     
23   H        21.1232   -4.5805   -6.0327  H     
24   H        19.0607   -5.1394   -1.0027  H     
25   H        17.2631   -1.4644   -8.6121  H     
26   H        17.7357   -2.9954   -9.3397  H     
27   H        15.2787   -2.2964   -9.6717  H     
28   H        15.5639   -3.9413   -9.1102  H     
29   H        14.1277   -3.3969   -7.4177  H     
30   H        15.3531   -0.7914   -7.2527  H     
31   H        16.1864   -1.7833   -2.8672  H     
32   H        16.5307   -1.2632   -4.4794  H     
33   H        13.2557   -3.1231   -4.8996  H     
34   H        13.6010   -1.8646   -3.7318  H     
35   H        14.2301   -0.3181   -5.3675  H     
36   H        12.8881   -1.1627   -6.1141  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   21 1
    23    3   22 1
    24    8   23 1
    25    9   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   21   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5564
  Crash		| -1.1250
  Polar		| 1.4792
  FragIndex	| 1
  FragRMSD	| 1.486