C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.402788 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.094012 1 101.703881 1 0.000000 0 2 1 0 C ( 4) 1.411472 1 76.757240 1 0.677963 1 3 2 1 H ( 5) 1.091463 1 120.755848 1 260.203503 1 2 1 3 H ( 6) 1.097043 1 105.813426 1 243.897828 1 3 2 4 H ( 7) 1.092215 1 120.090539 1 257.740790 1 4 3 2 H ( 8) 1.099494 1 119.016131 1 100.312212 1 1 2 3 C ( 9) 1.467882 1 120.423902 1 154.747594 1 1 2 8 H ( 10) 1.093477 1 120.896725 1 201.765980 1 2 1 5 C ( 11) 1.455888 1 109.099737 1 235.573606 1 3 2 6 H ( 12) 1.094017 1 120.385177 1 205.309104 1 4 3 7 O ( 17) 1.218692 1 123.987167 1 290.563006 1 11 3 2 O ( 18) 1.213141 1 122.603887 1 192.583912 1 9 1 2 H ( 19) 1.101662 1 116.320668 1 178.637325 1 11 3 13 H ( 20) 1.103806 1 117.099905 1 180.814622 1 9 1 14 0.000000 0 0.000000 0 0.000000 0