A1E6E
  CCTOOLS-0410261002

 36 36  0  0  0  0  0  0  0  0999 V2000
   -3.5180    0.7030    0.0480 N   0  0  0  0  0
   -5.4500    1.9710   -0.1900 N   0  0  0  0  0
    0.5350   -1.9590    0.0670 C   0  0  0  0  0
   -0.8410   -1.8680    0.0760 C   0  0  0  0  0
   -1.4550   -0.6150    0.0470 C   0  0  0  0  0
   -1.6800   -3.1190    0.1160 C   0  0  0  0  0
   -2.9290   -0.5090    0.0570 C   0  0  0  0  0
    2.4950    1.9470    1.5800 C   0  0  0  0  0
   -0.6700    0.5390    0.0090 C   0  0  0  0  0
    3.4760   -1.3810   -1.6870 C   0  0  0  0  0
    0.7060    0.4340    0.0000 C   0  0  0  0  0
    1.3080   -0.8110    0.0350 C   0  0  0  0  0
   -4.8900    0.8020   -0.0660 C   0  0  0  0  0
   -5.6660   -0.3330   -0.0480 N   0  0  0  0  0
   -3.6100   -1.5160    0.0730 O   0  0  0  0  0
    0.7610    2.9480   -0.1830 O   0  0  0  0  0
    2.6570    1.6250   -1.0630 O   0  0  0  0  0
    3.3450   -2.0190    0.9010 O   0  0  0  0  0
    3.5120    0.3800    0.3180 O   0  0  0  0  0
    1.6980    1.8890   -0.0480 S   0  0  0  0  0
    3.0650   -0.9370    0.0230 S   0  0  0  0  0
   -2.9780    1.5050    0.1250 H   0  0  0  0  0
   -4.9030    2.7720   -0.2020 H   0  0  0  0  0
    1.0110   -2.9280    0.0890 H   0  0  0  0  0
   -2.0170   -3.2980    1.1380 H   0  0  0  0  0
   -2.5460   -2.9980   -0.5350 H   0  0  0  0  0
   -1.0860   -3.9670   -0.2240 H   0  0  0  0  0
    3.4680    2.4300    1.4910 H   0  0  0  0  0
    1.8700    2.5140    2.2700 H   0  0  0  0  0
    2.6260    0.9330    1.9570 H   0  0  0  0  0
   -1.1380    1.5120   -0.0140 H   0  0  0  0  0
    3.1970   -0.5630   -2.3520 H   0  0  0  0  0
    4.5470   -1.5650   -1.7670 H   0  0  0  0  0
    2.9300   -2.2810   -1.9690 H   0  0  0  0  0
   -6.5410   -0.3290   -0.4660 H   0  0  0  0  0
   -5.3370   -1.1370    0.3830 H   0  0  0  0  0
  1  7  1  0  0  0
  1 22  1  0  0  0
  2 13  2  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  4  6  1  0  0  0
  4  3  2  0  0  0
  5  4  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  5  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9  5  2  0  0  0
  9 11  1  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
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 13  1  1  0  0  0
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 14 36  1  0  0  0
 15  7  2  0  0  0
 17 20  2  0  0  0
 18 21  2  0  0  0
 20 16  2  0  0  0
 20 11  1  0  0  0
 20  8  1  0  0  0
 21 19  2  0  0  0
 21 10  1  0  0  0
M  END
$$$$
