GCR
  CCTOOLS-0807261402

 95100  0  0  1  0  0  0  0  0999 V2000
    2.4580   -1.8700   -0.2990 C   0  0  0  0  0
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    2.4530   -2.3950   -1.5390 N   0  0  0  0  0
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    2.8530   -2.5000    0.6970 O   0  0  0  0  0
   -1.3040   -5.9940   -2.1870 O   0  0  0  0  0
    3.2100    3.6130    1.6880 O   0  0  0  0  0
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   -1.4590    4.0490    1.5980 O   0  0  0  0  0
    1.4970    4.1080   -0.9310 O   0  5  0  0  0
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    0.3320   -6.9250   -4.1550 O   0  0  0  0  0
    1.8040   -0.0910   -1.0740 H   0  0  0  0  0
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    4.2640    0.8540   -1.2030 H   0  0  0  0  0
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   -3.6170    2.0550   -2.8030 H   0  0  0  0  0
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    0.8080    6.0750    3.0150 H   0  0  0  0  0
    1.3170    6.1650    4.5100 H   0  0  0  0  0
    3.0970    6.1470   -0.1780 H   0  0  0  0  0
    4.1420    6.0250    1.0040 H   0  0  0  0  0
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    0.5600   -5.5000   -5.5010 H   0  0  0  0  0
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    1.0760   -3.3200   -3.6950 H   0  0  0  0  0
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    2.2040   -1.8870   -2.2210 H   0  0  0  0  0
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    0.4720   -7.5380   -4.7210 H   0  0  0  0  0
  1 10  1  0  0  0
  1 36  1  0  0  0
  1 39  2  0  0  0
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 38 94  1  0  0  0
 51 95  1  0  0  0
M  CHG  1  29   3
M  CHG  1  47  -1
M  CHG  1  48  -1
M  CHG  1  49  -1
M  END
$$$$
