C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.414309 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.078876 1 102.434118 1 0.000000 0 2 1 0 C ( 4) 1.414311 1 77.564140 1 0.019871 1 3 2 1 H ( 5) 1.093408 1 120.950884 1 257.018697 1 2 1 3 H ( 6) 1.102203 1 103.377255 1 243.227992 1 3 2 4 H ( 7) 1.093028 1 120.129891 1 258.921795 1 4 3 2 H ( 8) 1.102203 1 118.540127 1 261.376540 1 1 2 3 C ( 9) 1.430757 1 121.638248 1 203.290100 1 1 2 8 H ( 10) 1.093027 1 120.129652 1 204.050385 1 2 1 5 C ( 11) 1.430747 1 108.876482 1 236.265351 1 3 2 6 H ( 12) 1.093407 1 120.948777 1 204.056677 1 4 3 7 H ( 13) 1.105506 1 112.973110 1 282.934358 1 11 3 2 S ( 14) 1.577993 1 125.832975 1 171.215854 1 9 1 2 S ( 15) 1.577999 1 125.832345 1 179.101281 1 11 3 13 H ( 16) 1.105507 1 112.972634 1 179.100540 1 9 1 14 0.000000 0 0.000000 0 0.000000 0