File: spiranr.mop

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mopac 22.0.6%2Bdfsg-1
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  • size: 102,028 kB
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file content (20 lines) | stat: -rw-r--r-- 1,012 bytes parent folder | download | duplicates (3)
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*    39.188
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 PM7
Spiropentane
 <C2-C3> GR=DVT1968
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47614231 +1   61.5599840 +0    0.0000000 +0     1     2     0
  C     1.48939600 +0  137.5714480 +0  130.6671490 +0     1     2     3
  C     1.48939600 +0  137.5714480 +0 -130.6671490 +0     1     2     3
  H     1.09390300 +0  119.7262190 +0  109.3203010 +0     2     1     3
  H     1.09390300 +0  119.7262190 +0 -109.3203010 +0     2     1     3
  H     1.09390300 +0  119.7262190 +0 -109.3203010 +0     3     1     2
  H     1.08621985 +1  119.7274079 +1  109.3203010 +0     3     1     2
  H     1.09390300 +0  119.7262190 +0 -120.0125500 +0     4     1     2
  H     1.09390300 +0  119.7262190 +0   21.3468490 +0     4     1     2
  H     1.09390300 +0  119.7262190 +0  120.0125500 +0     5     1     2
  H     1.08596699 +1  119.7262190 +0  -21.3468490 +0     5     1     2