MKC
  CCTOOLS-0919241035

 44 45  0  0  0  0  0  0  0  0999 V2000
    1.6450    0.7070   -1.0480 C   0  0  0  0  0
    1.2590    0.7080   -2.3760 C   0  0  0  0  0
    1.9140   -0.0980   -3.2870 C   0  0  0  0  0
    2.9550   -0.9060   -2.8710 C   0  0  0  0  0
    3.3420   -0.9070   -1.5440 C   0  0  0  0  0
    2.6900   -0.0960   -0.6340 C   0  0  0  0  0
   -0.1170    0.7810    0.6660 C   0  0  0  0  0
   -1.3810    0.6810    0.1510 N   0  0  0  0  0
   -2.3250   -0.0350    0.7860 C   0  0  0  0  0
   -3.4400   -0.1160    0.3080 O   0  0  0  0  0
   -2.0520   -0.6650    1.9440 N   0  0  0  0  0
   -0.8210   -0.5870    2.4870 C   0  0  0  0  0
   -0.5730   -1.1570    3.5340 O   0  0  0  0  0
    0.1810    0.1640    1.8280 C   0  0  0  0  0
    0.9320    1.5870   -0.0550 C   0  0  0  0  0
    1.5660    0.2680    2.4140 C   0  0  0  0  0
    1.4970    0.9950    3.7590 C   0  0  0  0  0
    2.1380   -1.1340    2.6220 C   0  0  0  0  0
   -1.7070    1.3560   -1.1070 C   0  0  0  0  0
   -1.3900    0.4970   -2.2040 O   0  0  0  0  0
   -2.4600   -0.4420   -2.3150 C   0  0  0  0  0
   -2.2510   -1.3090   -3.5590 C   0  0  0  0  0
    0.4450    1.3400   -2.7000 H   0  0  0  0  0
    1.6110   -0.0970   -4.3240 H   0  0  0  0  0
    3.4660   -1.5370   -3.5830 H   0  0  0  0  0
    4.1560   -1.5390   -1.2190 H   0  0  0  0  0
    2.9930   -0.0970    0.4020 H   0  0  0  0  0
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    0.4570    2.4160   -0.5790 H   0  0  0  0  0
    1.6500    1.9770    0.6660 H   0  0  0  0  0
    2.2080    0.8250    1.7320 H   0  0  0  0  0
    2.4990    1.0710    4.1820 H   0  0  0  0  0
    1.0900    1.9950    3.6100 H   0  0  0  0  0
    0.8550    0.4380    4.4410 H   0  0  0  0  0
    1.4960   -1.6910    3.3040 H   0  0  0  0  0
    2.1870   -1.6530    1.6640 H   0  0  0  0  0
    3.1400   -1.0590    3.0460 H   0  0  0  0  0
   -1.1280    2.2760   -1.1870 H   0  0  0  0  0
   -2.7710    1.5930   -1.1270 H   0  0  0  0  0
   -3.4070    0.0910   -2.4000 H   0  0  0  0  0
   -2.4800   -1.0770   -1.4290 H   0  0  0  0  0
   -3.0670   -2.0260   -3.6430 H   0  0  0  0  0
   -2.2310   -0.6750   -4.4450 H   0  0  0  0  0
   -1.3050   -1.8440   -3.4740 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 14  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
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 16 31  1  0  0  0
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 22 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
M  END
$$$$
