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SYMMETRY PM7 Cyanogen I=13.36 IR=LLNBS82 H=73.8 HR=C&P1970 S=57.82 CP=13.58 N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.15678077 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.38760758 +1 180.0000000 +0 0.0000000 +0 2 1 0 N 1.15678077 +0 180.0000000 +0 0.0000000 +0 3 2 1