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SYMMETRY Diacetylene GR=CS1957 <C1-C2> <C2-C3> <C-H> GWT=0.5 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.20500000 +1 0.0000000 +0 0.0000000 +0 1 0 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 C 1.37600000 +1 90.0000000 +0 180.0000000 +0 2 3 1 XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 4 2 3 C 1.20500000 +0 90.0000000 +0 180.0000000 +0 4 5 2 XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 6 4 5 H 1.04600000 +1 90.0000000 +0 180.0000000 +0 6 7 4 XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 1 2 3 H 1.04600000 +0 90.0000000 +0 180.0000000 +0 1 9 2 2 1 6 8 1 10