Q82
  CCTOOLS-0919241035

 82 86  0  0  1  0  0  0  0  0999 V2000
   -0.6940   -2.2100   -0.9010 N   0  0  0  0  0
    0.5380    2.9990    1.0480 O   0  0  0  0  0
    0.5680    0.9870    3.2950 O   0  0  0  0  0
   -0.1670   -1.2190    1.2080 N   0  0  0  0  0
   -0.6550    0.0920   -0.6140 N   0  0  0  0  0
   -0.5140   -1.1400   -0.1460 C   0  0  0  0  0
   -1.8810    0.4270   -1.3450 C   0  0  0  0  0
    0.3610    1.1350   -0.4380 C   0  0  0  0  0
    0.1960    1.6130    0.9850 C   0  0  0  0  0
    1.0850    0.8350    1.9720 C   0  0  0  0  0
    1.1000   -0.6550    1.5990 C   0  0  0  0  0
   -1.0530   -1.8540    2.1870 C   0  0  0  0  0
   -1.6840    0.1450   -2.8120 C   0  0  0  0  0
   -1.9940   -1.1000   -3.3240 C   0  0  0  0  0
   -1.8130   -1.3580   -4.6700 C   0  0  0  0  0
   -1.3230   -0.3710   -5.5040 C   0  0  0  0  0
   -1.0130    0.8750   -4.9920 C   0  0  0  0  0
   -1.1980    1.1340   -3.6460 C   0  0  0  0  0
    1.7610    0.5550   -0.6450 C   0  0  0  0  0
    2.2850    0.9740   -1.9940 C   0  0  0  0  0
    3.0040    2.1480   -2.1220 C   0  0  0  0  0
    3.4850    2.5320   -3.3600 C   0  0  0  0  0
    3.2460    1.7430   -4.4690 C   0  0  0  0  0
    2.5280    0.5690   -4.3410 C   0  0  0  0  0
    2.0510    0.1820   -3.1030 C   0  0  0  0  0
    1.6210   -1.4400    2.8040 C   0  0  0  0  0
    3.0310   -1.0070    3.1140 C   0  0  0  0  0
    3.2580   -0.0150    4.0500 C   0  0  0  0  0
    4.5510    0.3820    4.3350 C   0  0  0  0  0
    5.6170   -0.2110    3.6840 C   0  0  0  0  0
    5.3890   -1.2030    2.7490 C   0  0  0  0  0
    4.0960   -1.6040    2.4670 C   0  0  0  0  0
   -2.0860   -0.8590    2.6490 C   0  0  0  0  0
   -3.2890   -0.7500    1.9760 C   0  0  0  0  0
   -4.2370    0.1620    2.4000 C   0  0  0  0  0
   -3.9830    0.9640    3.4960 C   0  0  0  0  0
   -2.7780    0.8580    4.1660 C   0  0  0  0  0
   -1.8320   -0.0560    3.7450 C   0  0  0  0  0
   -0.5360   -3.4470   -0.3710 C   0  0  0  0  0
   -0.4040   -4.4840    0.0720 N   0  0  0  0  0
   -5.0170    1.9580    3.9580 C   0  0  0  0  0
   -1.1250   -0.6530   -6.9710 C   0  0  0  0  0
   -5.8810    1.3380    4.9120 O   0  0  0  0  0
   -2.3200   -0.3270   -7.6840 O   0  0  0  0  0
    0.3790    3.2850    1.9580 H   0  0  0  0  0
    0.5750    1.9340    3.4910 H   0  0  0  0  0
   -2.7050   -0.1760   -0.9660 H   0  0  0  0  0
   -2.1100    1.4830   -1.2050 H   0  0  0  0  0
    0.1860    1.9550   -1.1350 H   0  0  0  0  0
   -0.8460    1.4930    1.2790 H   0  0  0  0  0
    2.1010    1.2280    1.9320 H   0  0  0  0  0
    1.8020   -0.7930    0.7760 H   0  0  0  0  0
   -0.4670   -2.1920    3.0420 H   0  0  0  0  0
   -1.5500   -2.7080    1.7270 H   0  0  0  0  0
   -2.3770   -1.8710   -2.6730 H   0  0  0  0  0
   -2.0550   -2.3320   -5.0700 H   0  0  0  0  0
   -0.6300    1.6460   -5.6430 H   0  0  0  0  0
   -0.9560    2.1080   -3.2460 H   0  0  0  0  0
    2.4270    0.9260    0.1340 H   0  0  0  0  0
    1.7150   -0.5320   -0.5950 H   0  0  0  0  0
    3.1900    2.7640   -1.2550 H   0  0  0  0  0
    4.0460    3.4500   -3.4600 H   0  0  0  0  0
    3.6210    2.0440   -5.4370 H   0  0  0  0  0
    2.3420   -0.0470   -5.2080 H   0  0  0  0  0
    1.4900   -0.7340   -3.0020 H   0  0  0  0  0
    0.9840   -1.2480    3.6670 H   0  0  0  0  0
    1.6110   -2.5060    2.5750 H   0  0  0  0  0
    2.4260    0.4480    4.5590 H   0  0  0  0  0
    4.7290    1.1570    5.0660 H   0  0  0  0  0
    6.6270    0.0990    3.9060 H   0  0  0  0  0
    6.2210   -1.6670    2.2400 H   0  0  0  0  0
    3.9180   -2.3790    1.7370 H   0  0  0  0  0
   -3.4880   -1.3770    1.1200 H   0  0  0  0  0
   -5.1770    0.2470    1.8740 H   0  0  0  0  0
   -2.5790    1.4850    5.0220 H   0  0  0  0  0
   -0.8920   -0.1410    4.2700 H   0  0  0  0  0
   -5.6030    2.2970    3.1040 H   0  0  0  0  0
   -4.5200    2.8120    4.4190 H   0  0  0  0  0
   -0.3000   -0.0490   -7.3490 H   0  0  0  0  0
   -0.8950   -1.7090   -7.1100 H   0  0  0  0  0
   -6.5260    2.0070    5.1820 H   0  0  0  0  0
   -2.1510   -0.5220   -8.6160 H   0  0  0  0  0
  1  6  2  0  0  0
  1 39  1  0  0  0
  2  9  1  0  0  0
  2 45  1  0  0  0
  3 10  1  0  0  0
  3 46  1  0  0  0
  4  6  1  0  0  0
  4 11  1  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5  8  1  0  0  0
  7 13  1  0  0  0
  7 47  1  0  0  0
  7 48  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 49  1  0  0  0
  9 10  1  0  0  0
  9 50  1  0  0  0
 10 11  1  0  0  0
 10 51  1  0  0  0
 11 26  1  0  0  0
 11 52  1  0  0  0
 12 33  1  0  0  0
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 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
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 31 32  2  0  0  0
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 42 44  1  0  0  0
 42 79  1  0  0  0
 42 80  1  0  0  0
 43 81  1  0  0  0
 44 82  1  0  0  0
M  END
$$$$
