File: urea.mop

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*
*   -51.109
*
 PM7
Urea
 HR=C&P1970 H=-58.7
  O     0.01668047 +1  -0.00000938 +1   0.00003446 +1
  C     1.23369003 +1  -0.00003971 +1  -0.00017514 +1
  N     1.96279801 +1   1.18236920 +1  -0.04923947 +1
  N     1.96259799 +1  -1.18275494 +1   0.04838983 +1
  H     1.46117669 +1   2.04796720 +1  -0.07191692 +1
  H     2.95228543 +1   1.22463221 +1  -0.03921990 +1
  H     1.46097799 +1  -2.04826063 +1   0.07143868 +1
  H     2.95207643 +1  -1.22502771 +1   0.03838944 +1