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PM7 CH.C.CN <N-C3> <C3-C2> <C2-C1> <C-H> GR=CCC1958 N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.15900000 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.37800000 +1 180.0000000 +0 0.0000000 +0 2 1 0 C 1.20500000 +1 180.0000000 +0 180.0000000 +0 3 2 1 H 1.05700000 +1 180.0000000 +0 180.0000000 +0 4 3 2