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SYMMETRY PM7 Cyanogen GR=HERZ1966 <C-N> <C-C> N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.15400000 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.38900000 +1 180.0000000 +0 0.0000000 +0 2 1 0 N 1.15400000 +0 180.0000000 +0 0.0000000 +0 3 2 1 2 1 4