A1EQ2
  CCTOOLS-0410261002

 69 71  0  0  1  0  0  0  0  0999 V2000
    0.0490    4.9330   -0.0240 C   0  0  0  0  0
   -1.8140    5.3180    1.5190 N   0  0  0  0  0
   -0.9470    5.3780    2.7040 C   0  0  0  0  0
    0.2280    4.1580   -2.4340 C   0  0  0  0  0
    4.1840    1.1870   -0.8920 C   0  0  0  0  0
    0.9980   -1.7660    0.3500 C   0  0  0  0  0
   -1.5690   -1.1190   -0.3460 C   0  0  0  0  0
   -3.5290   -2.6600   -0.5620 C   0  0  0  0  0
   -5.7500   -1.9400   -0.0210 C   0  0  0  0  0
    5.1310   -3.6320    0.2680 C   0  0  0  0  0
    4.5650   -2.6860    1.3290 C   0  0  0  0  0
    3.3710   -1.9580    0.7660 C   0  0  0  0  0
    3.5200   -0.7430    0.1050 C   0  0  0  0  0
    2.3920   -0.0820   -0.4120 C   0  0  0  0  0
    1.9690    2.0570   -1.6670 C   0  0  0  0  0
    1.4140    3.0120   -0.6410 C   0  0  0  0  0
   -1.2730    4.3880    0.5190 C   0  0  0  0  0
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    4.6790    0.1090   -0.2230 C   0  0  0  0  0
    6.0510   -0.1460    0.0980 C   0  0  0  0  0
   -3.0430   -1.4080   -0.2330 C   0  0  0  0  0
   -4.8800   -2.9270   -0.4600 C   0  0  0  0  0
   -7.9160   -1.1360    0.5390 C   0  0  0  0  0
   -5.2610   -0.6830    0.3040 C   0  0  0  0  0
   -3.9090   -0.4200    0.2000 C   0  0  0  0  0
   -1.1730   -1.0830   -1.8000 C   0  0  0  0  0
    2.0830   -2.4840    0.8920 C   0  0  0  0  0
    1.8690   -3.7300    1.5640 C   0  0  0  0  0
    2.8330    1.0770   -1.0050 N   0  0  0  0  0
    0.5880    4.0060   -1.0220 N   0  0  0  0  0
    7.1390   -0.3480    0.3530 N   0  0  0  0  0
    1.1830   -0.6150   -0.2710 N   0  0  0  0  0
   -1.4020   -2.1530   -2.5870 N   0  0  0  0  0
    1.6990   -4.7190    2.0970 N   0  0  0  0  0
    1.7120    2.8860    0.5280 O   0  0  0  0  0
   -7.0800   -2.2000    0.0800 O   0  0  0  0  0
   -0.6500   -0.0910   -2.2620 O   0  0  0  0  0
   -0.6330   -2.4160    0.5020 S   0  0  0  0  0
   -0.1220    5.9050   -0.4870 H   0  0  0  0  0
    0.7610    5.0410    0.7940 H   0  0  0  0  0
    0.0460    5.7180    2.4110 H   0  0  0  0  0
   -1.3710    6.0740    3.4280 H   0  0  0  0  0
   -0.8750    4.3870    3.1520 H   0  0  0  0  0
    0.9470    4.8150   -2.9230 H   0  0  0  0  0
    0.2380    3.1820   -2.9190 H   0  0  0  0  0
   -0.7700    4.5910   -2.5100 H   0  0  0  0  0
    4.7740    2.0080   -1.2710 H   0  0  0  0  0
   -1.3510   -0.1550    0.1130 H   0  0  0  0  0
   -2.8510   -3.4280   -0.9040 H   0  0  0  0  0
    5.9950   -4.1590    0.6750 H   0  0  0  0  0
    4.3680   -4.3540   -0.0200 H   0  0  0  0  0
    5.4360   -3.0570   -0.6070 H   0  0  0  0  0
    4.2600   -3.2610    2.2030 H   0  0  0  0  0
    5.3290   -1.9640    1.6170 H   0  0  0  0  0
    1.1470    1.5410   -2.1630 H   0  0  0  0  0
    2.5470    2.6130   -2.4050 H   0  0  0  0  0
   -1.9850    4.2800   -0.3000 H   0  0  0  0  0
   -1.1020    3.4160    0.9810 H   0  0  0  0  0
   -3.1970    3.9470    2.3070 H   0  0  0  0  0
   -3.5630    5.6580    2.6310 H   0  0  0  0  0
   -3.8230    4.9850    1.0040 H   0  0  0  0  0
   -5.2590   -3.9040   -0.7210 H   0  0  0  0  0
   -7.6010   -0.8300    1.5370 H   0  0  0  0  0
   -7.8340   -0.2900   -0.1430 H   0  0  0  0  0
   -8.9510   -1.4760    0.5740 H   0  0  0  0  0
   -5.9360    0.0880    0.6460 H   0  0  0  0  0
   -3.5270    0.5570    0.4570 H   0  0  0  0  0
   -1.8980   -2.9120   -2.2410 H   0  0  0  0  0
   -1.0710   -2.1650   -3.4980 H   0  0  0  0  0
  1 30  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2 17  1  0  0  0
  3  2  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  4 30  1  0  0  0
  4 44  1  0  0  0
  4 45  1  0  0  0
  4 46  1  0  0  0
  5 19  2  0  0  0
  5 29  1  0  0  0
  5 47  1  0  0  0
  6 38  1  0  0  0
  7 21  1  0  0  0
  7 48  1  0  0  0
  8 22  2  0  0  0
  8 49  1  0  0  0
  9 22  1  0  0  0
  9 36  1  0  0  0
 10 50  1  0  0  0
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 14 32  1  0  0  0
 15 55  1  0  0  0
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 19 13  1  0  0  0
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 24  9  2  0  0  0
 24 66  1  0  0  0
 25 21  2  0  0  0
 25 24  1  0  0  0
 25 67  1  0  0  0
 26  7  1  0  0  0
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 27 28  1  0  0  0
 28 34  3  0  0  0
 29 15  1  0  0  0
 29 14  1  0  0  0
 30 16  1  0  0  0
 31 20  3  0  0  0
 32  6  2  0  0  0
 33 26  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 37 26  2  0  0  0
 38  7  1  0  0  0
M  END
$$$$
