A1ER5
  CCTOOLS-0619261019

 35 35  0  0  1  0  0  0  0  0999 V2000
    0.4550    3.2650    0.8740 O   0  0  0  0  0
    1.3230    2.8080    0.1690 C   0  0  0  0  0
    2.2000    3.6280   -0.4330 O   0  0  0  0  0
    1.4260    1.3180   -0.0310 C   0  0  0  0  0
    2.7380    0.8120    0.5710 C   0  0  0  0  0
    2.8990   -0.6550    0.2650 C   0  0  0  0  0
    3.5440   -1.0530   -0.8910 C   0  0  0  0  0
    3.6910   -2.3980   -1.1720 C   0  0  0  0  0
    3.1920   -3.3460   -0.2970 C   0  0  0  0  0
    2.5480   -2.9470    0.8590 C   0  0  0  0  0
    2.4060   -1.6020    1.1430 C   0  0  0  0  0
   -3.5760    1.0770   -0.8710 N   0  0  0  0  0
   -3.1280   -0.2780   -0.5230 C   0  0  0  0  0
   -4.2820   -1.0570    0.0510 C   0  0  0  0  0
   -5.2440   -0.4750    0.4950 O   0  0  0  0  0
   -2.0050   -0.1920    0.5130 C   0  0  0  0  0
   -0.8040    0.4800   -0.1020 C   0  0  0  0  0
   -0.8430    0.8520   -1.2510 O   0  0  0  0  0
    0.3080    0.6640    0.6270 O   0  0  0  0  0
    2.0960    4.5760   -0.2730 H   0  0  0  0  0
    1.4030    1.0920   -1.0970 H   0  0  0  0  0
    3.5720    1.3670    0.1410 H   0  0  0  0  0
    2.7230    0.9590    1.6510 H   0  0  0  0  0
    3.9330   -0.3130   -1.5740 H   0  0  0  0  0
    4.1940   -2.7100   -2.0750 H   0  0  0  0  0
    3.3060   -4.3970   -0.5160 H   0  0  0  0  0
    2.1580   -3.6870    1.5430 H   0  0  0  0  0
    1.9020   -1.2910    2.0460 H   0  0  0  0  0
   -4.2730    1.0510   -1.6010 H   0  0  0  0  0
   -3.9230    1.5640   -0.0580 H   0  0  0  0  0
   -2.7590   -0.7790   -1.4180 H   0  0  0  0  0
   -2.3450    0.3870    1.3710 H   0  0  0  0  0
   -1.7330   -1.1970    0.8370 H   0  0  0  0  0
   -4.2430   -2.3990    0.0700 O   0  0  0  0  0
   -5.0080   -2.8550    0.4480 H   0  0  0  0  0
  2  1  2  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  4  2  1  0  0  0
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  5  4  1  0  0  0
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  5 23  1  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  7 24  1  0  0  0
  8  7  1  0  0  0
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  9  8  2  0  0  0
  9 10  1  0  0  0
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 10 11  2  0  0  0
 10 27  1  0  0  0
 11  6  1  0  0  0
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 12 13  1  0  0  0
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 16 33  1  0  0  0
 17 18  2  0  0  0
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 19  4  1  0  0  0
 34 35  1  0  0  0
M  END
$$$$
