A1JRB
  CCTOOLS-0515260948

 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.9030   -0.1640   -0.1840 C   0  0  0  0  0
    2.1230    1.7000   -0.2450 C   0  0  0  0  0
    1.4960   -0.4630    0.0930 C   0  0  0  0  0
    4.0050   -0.0570    0.2720 C   0  0  0  0  0
    0.4140    0.3030   -0.1490 N   0  0  0  0  0
    1.4870   -1.9450    0.3680 C   0  0  0  0  0
   -0.1490    2.7440   -0.6550 C   0  0  0  0  0
   -2.4260   -1.7190   -0.9490 C   0  0  0  0  0
   -3.4580   -1.0970   -0.2740 C   0  0  0  0  0
   -3.1940    0.0460    0.4670 C   0  0  0  0  0
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    0.7880    1.6020   -0.3560 C   0  0  0  0  0
   -1.1960   -1.2450   -0.8880 N   0  0  0  0  0
    4.2690   -1.2170    0.5130 O   0  0  0  0  0
    2.7170    2.5950   -0.3510 H   0  0  0  0  0
    4.7960    0.6760    0.2160 H   0  0  0  0  0
    1.5780   -2.4890   -0.5720 H   0  0  0  0  0
    2.3250   -2.1990    1.0170 H   0  0  0  0  0
    0.5520   -2.2180    0.8570 H   0  0  0  0  0
   -0.5400    3.1470    0.2790 H   0  0  0  0  0
    0.3900    3.5260   -1.1910 H   0  0  0  0  0
   -0.9750    2.3850   -1.2690 H   0  0  0  0  0
   -2.6260   -2.6090   -1.5270 H   0  0  0  0  0
   -4.4600   -1.4970   -0.3230 H   0  0  0  0  0
   -4.3700    0.3390    2.2240 H   0  0  0  0  0
   -4.0730    1.8150    1.2740 H   0  0  0  0  0
   -5.2410    0.6040    0.6950 H   0  0  0  0  0
   -1.6500    1.3970    1.0890 H   0  0  0  0  0
  1 15  2  0  0  0
  2 13  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
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  5 14  1  0  0  0
  5  1  1  0  0  0
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 10 12  2  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
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 14  2  2  0  0  0
 15  8  1  0  0  0
 16  4  2  0  0  0
M  END
$$$$
