A1MHR
  CCTOOLS-0717261001

 50 50  0  0  0  0  0  0  0  0999 V2000
    0.6630    1.1570   -0.3690 C   0  0  0  0  0
   -3.4340    1.2720   -0.5580 C   0  0  0  0  0
    2.8880    0.0540   -0.0300 C   0  0  0  0  0
    3.4330   -1.3520    0.2280 C   0  0  0  0  0
    4.8610    1.0350    1.1470 C   0  0  0  0  0
    3.4260    0.5730   -1.3650 C   0  0  0  0  0
   -3.4330   -0.5520    1.1500 C   0  0  0  0  0
   -3.3370   -1.1180   -1.2810 C   0  0  0  0  0
    3.1150   -2.2500   -0.9700 C   0  0  0  0  0
   -0.7230    1.1150   -0.4140 C   0  0  0  0  0
   -4.9620    1.2250   -0.6070 C   0  0  0  0  0
   -2.9880    0.4490    2.2180 C   0  0  0  0  0
   -1.3860   -0.0710   -0.1650 C   0  0  0  0  0
   -0.6660   -1.2190    0.1320 C   0  0  0  0  0
    0.7190   -1.1770    0.1760 C   0  0  0  0  0
    1.3830    0.0080   -0.0790 C   0  0  0  0  0
    3.3330    0.9880    1.0970 C   0  0  0  0  0
   -2.8920   -0.1170   -0.2130 C   0  0  0  0  0
   -1.3190   -2.3850    0.3830 O   0  0  0  0  0
    1.3150    2.3250   -0.6140 O   0  0  0  0  0
   -3.0480    1.5810   -1.5290 H   0  0  0  0  0
   -3.1160    1.9850    0.2030 H   0  0  0  0  0
    4.5130   -1.3030    0.3680 H   0  0  0  0  0
    2.9690   -1.7630    1.1240 H   0  0  0  0  0
    5.1790    1.7000    1.9500 H   0  0  0  0  0
    5.2500    0.0330    1.3310 H   0  0  0  0  0
    5.2450    1.4050    0.1960 H   0  0  0  0  0
    3.1090   -0.0920   -2.1680 H   0  0  0  0  0
    3.0380    1.5750   -1.5480 H   0  0  0  0  0
    4.5150    0.6070   -1.3290 H   0  0  0  0  0
   -3.0470   -1.5410    1.3960 H   0  0  0  0  0
   -4.5220   -0.5850    1.1150 H   0  0  0  0  0
   -2.9510   -2.1070   -1.0360 H   0  0  0  0  0
   -4.4260   -1.1510   -1.3170 H   0  0  0  0  0
   -2.9510   -0.8080   -2.2530 H   0  0  0  0  0
    3.3970   -3.2770   -0.7390 H   0  0  0  0  0
    2.0470   -2.2050   -1.1840 H   0  0  0  0  0
    3.6740   -1.9060   -1.8400 H   0  0  0  0  0
   -1.2840    2.0090   -0.6450 H   0  0  0  0  0
   -5.3480    2.2140   -0.8530 H   0  0  0  0  0
   -5.2790    0.5120   -1.3680 H   0  0  0  0  0
   -5.3480    0.9150    0.3640 H   0  0  0  0  0
   -3.3730    0.1390    3.1900 H   0  0  0  0  0
   -1.8990    0.4820    2.2540 H   0  0  0  0  0
   -3.3740    1.4380    1.9730 H   0  0  0  0  0
    1.2790   -2.0700    0.4110 H   0  0  0  0  0
    2.9440    1.9900    0.9140 H   0  0  0  0  0
    2.9500    0.6180    2.0480 H   0  0  0  0  0
   -1.5420   -2.5180    1.3140 H   0  0  0  0  0
    1.4700    2.8620    0.1740 H   0  0  0  0  0
  1 10  2  0  0  0
  1 20  1  0  0  0
  2 11  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3  6  1  0  0  0
  4  9  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 12  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
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 11 41  1  0  0  0
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 13 18  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 14 13  2  0  0  0
 15 46  1  0  0  0
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 16 15  2  0  0  0
 17  5  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18  2  1  0  0  0
 18  8  1  0  0  0
 18  7  1  0  0  0
 19 49  1  0  0  0
 20 50  1  0  0  0
M  END
$$$$
