File: melamine.mop

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mopac 22.0.6%2Bdfsg-1
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file content (22 lines) | stat: -rw-r--r-- 883 bytes parent folder | download | duplicates (3)
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*
*    32.469
*
 PM7
Melamine
 H=12.4 HR=C&P1970
  N     0.01166422 +1   0.02202960 +1   0.00357228 +1
  C     1.38358785 +1  -0.00162396 +1  -0.00128038 +1
  N     2.19072739 +1   1.10776406 +1  -0.01471238 +1
  C     1.52516517 +1   2.30756884 +1  -0.02353267 +1
  N     0.16062947 +1   2.45199626 +1  -0.01981970 +1
  C    -0.54589145 +1   1.27581658 +1  -0.00618928 +1
  N     1.99277916 +1  -1.22188060 +1   0.00805335 +1
  N     2.27962439 +1   3.44374409 +1  -0.03695415 +1
  N    -1.90737900 +1   1.35888509 +1  -0.00189517 +1
  H     2.99107594 +1  -1.28341962 +1   0.00468662 +1
  H     1.44278386 +1  -2.05702258 +1   0.01765213 +1
  H     1.83645380 +1   4.34022656 +1  -0.04359997 +1
  H     3.27791306 +1   3.38203346 +1  -0.03982267 +1
  H    -2.46057273 +1   0.52576839 +1   0.00781614 +1
  H    -2.35562473 +1   2.25286126 +1  -0.00880619 +1