C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.448345 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.065356 1 79.340698 1 0.000000 0 2 1 0 C ( 4) 1.448610 1 100.814225 1 359.953733 1 3 2 1 C ( 5) 1.490442 1 115.910134 1 67.993755 1 2 1 3 C ( 6) 1.347815 1 104.449742 1 291.705494 1 5 2 1 C ( 7) 1.489983 1 115.930410 1 292.252774 1 4 3 2 C ( 8) 1.347913 1 104.564249 1 68.032343 1 7 4 3 H ( 9) 1.089164 1 124.754674 1 182.391292 1 5 2 6 H ( 10) 1.088307 1 131.126734 1 176.250230 1 6 5 2 H ( 11) 1.089431 1 124.687810 1 177.550640 1 7 4 8 H ( 12) 1.088118 1 131.074272 1 183.752001 1 8 7 4 H ( 13) 1.101355 1 120.433747 1 251.375510 1 1 2 3 C ( 14) 1.426453 1 121.862660 1 169.237940 1 2 1 5 H ( 15) 1.101087 1 100.285262 1 236.069231 1 3 2 4 C ( 16) 1.425410 1 121.890931 1 190.676551 1 4 3 7 H ( 17) 1.106141 1 111.368557 1 8.203332 1 14 2 1 H ( 18) 1.106100 1 111.388602 1 352.138483 1 16 4 3 S ( 19) 1.580323 1 127.857683 1 179.174569 1 14 2 17 S ( 20) 1.581051 1 127.802525 1 180.808170 1 16 4 18 0.000000 0 0.000000 0 0.000000 0