File: c5or.mop

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mopac 22.0.6%2Bdfsg-1
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file content (13 lines) | stat: -rw-r--r-- 530 bytes parent folder | download | duplicates (3)
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*    50.205
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 PM7
C-C-C-C-C-O
 <C1-O> <C1-C2> <C2-C3> <C3-C4> <C4-C5> GR=RJ2001
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15550000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.28280000 +1  180.0000000 +0    0.0000000 +0     2     1     0
  C     1.25920000 +1  180.0000000 +0    0.0000000 +0     3     2     1
  C     1.28970000 +1  180.0000000 +0    0.0000000 +0     4     3     2
  C     1.27440000 +1  180.0000000 +0    0.0000000 +0     5     4     3