HLA
  CCTOOLS-0418250950

 31 32  0  0  1  0  0  0  0  0999 V2000
   -0.1470    0.3700   -0.5780 C   0  0  0  0  0
   -0.3530   -1.1410   -0.7260 C   0  0  0  0  0
    1.0140   -1.8310   -0.6430 C   0  0  0  0  0
   -1.5050    1.0720   -0.5370 C   0  0  0  0  0
   -2.4800   -1.0310    0.3830 C   0  0  0  0  0
   -2.3470    0.4800    0.5970 C   0  0  0  0  0
    1.8360   -0.0270    0.7040 C   0  0  0  0  0
    2.4950    0.2820    2.0500 C   0  0  0  0  0
    2.7180    0.4710   -0.4120 C   0  0  0  0  0
   -3.6440    1.0790    0.5930 O   0  0  0  0  0
   -1.3130    2.4700   -0.3100 O   0  0  0  0  0
    0.5660    0.6270    0.6340 O   0  0  0  0  0
   -1.1780   -1.6170    0.3390 O   0  0  0  0  0
    1.6560   -1.4390    0.5740 O   0  0  0  0  0
    2.2740    1.2300   -1.2410 O   0  0  0  0  0
    3.9970    0.0700   -0.4860 O   0  0  0  0  0
    0.4300    0.7430   -1.4240 H   0  0  0  0  0
   -0.8150   -1.3560   -1.6900 H   0  0  0  0  0
    0.8790   -2.9130   -0.6520 H   0  0  0  0  0
    1.6280   -1.5310   -1.4920 H   0  0  0  0  0
   -2.0190    0.9250   -1.4870 H   0  0  0  0  0
   -3.0470   -1.4660    1.2060 H   0  0  0  0  0
   -1.8580    0.6710    1.5520 H   0  0  0  0  0
    2.6340    1.3590    2.1480 H   0  0  0  0  0
    1.8570   -0.0780    2.8570 H   0  0  0  0  0
    3.4640   -0.2150    2.1030 H   0  0  0  0  0
   -4.2340    0.7450    1.2830 H   0  0  0  0  0
   -2.1350    2.9780   -0.2730 H   0  0  0  0  0
    4.5240    0.4160   -1.2200 H   0  0  0  0  0
   -3.1580   -1.2800   -0.8490 O   0  0  0  0  0
   -3.2770   -2.2180   -1.0500 H   0  0  0  0  0
  1 12  1  0  0  0
  1 17  1  0  0  0
  2  1  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 14  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 11  1  0  0  0
  4  1  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 22  1  0  0  0
  5 30  1  0  0  0
  6  4  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 15  2  0  0  0
  9 16  1  0  0  0
 10  6  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 12  7  1  0  0  0
 13  2  1  0  0  0
 14  7  1  0  0  0
 16 29  1  0  0  0
 30 31  1  0  0  0
M  END
$$$$
