EC initial 1molecule 2 1 10.0000000000 0.0000000000 0.0000000000 0.0000000000 10.0000000000 0.0000000000 0.0000000000 0.0000000000 10.0000000000 C1 1 0.8456530000 -0.0001190000 -0.0000110000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 C2 2 -1.3026980000 0.7550050000 -0.1027540000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 C2 3 -1.3028900000 -0.7546750000 0.1028480000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 O5 4 0.0508700000 1.0846960000 0.2610270000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 O4 5 2.0408440000 -0.0002730000 -0.0000510000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 O5 6 0.0505770000 -1.0847250000 -0.2610130000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 H3 7 -2.0250070000 1.2944970000 0.5181470000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 H3 8 -1.4455240000 1.0233600000 -1.1552080000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 H3 9 -2.0253860000 -1.2939740000 -0.5180050000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000 H3 10 -1.4457380000 -1.0229910000 1.1553210000 -0.0528757498 0.0274836849 -0.0149230780 0.0000000000 0.0000000000 0.0000000000