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SYMMETRY Acetylene GR=HERZ1966 <C-C> <C-H> gwt=0.5 XX 1.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0 C 1.20730000 +1 90.0000000 +0 0.0000000 +0 2 1 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 3 2 1 H 1.06300000 +1 90.0000000 +0 180.0000000 +0 3 4 1 H 1.06300000 +0 90.0000000 +0 180.0000000 +0 2 1 4 5 1 6