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view data/caffeine.mol @ 0:4816e4a8ae95 draft default tip

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author deepakjadmin
date Wed, 20 Jan 2016 09:23:18 -0500
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caffeine
  MayaChem07151112042D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.6792  -10.5917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6792  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912  -11.8250    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.3912  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8813  -11.6704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669  -11.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859  -10.3403    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.1032  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1003  -11.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435   -9.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -9.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635  -10.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653  -11.8302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932  -12.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
  8  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  4 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  2 13  2  0  0  0  0
  6  7  1  0  0  0  0
  3 14  1  0  0  0  0
M  END