C 0.000000 0.000000 0.000000 H 1.086700 0.000000 0.000000 C -0.677100 1.171700 0.000000 H -1.763600 1.145700 0.001500 ~0 -0.159600 2.364200 -0.000600 ~1 -0.515200 -1.193600 0.000000 1 2 1 1 3 2 1 6 1 3 4 1 3 5 1