C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.444722 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.019432 1 100.086595 1 0.000000 0 2 1 0 C ( 4) 1.452071 1 79.713990 1 0.461905 1 3 2 1 C ( 5) 1.487087 1 122.107051 1 278.826047 1 2 1 3 C ( 6) 1.348161 1 102.345134 1 96.255860 1 5 2 1 C ( 7) 1.486871 1 121.846349 1 278.239980 1 4 3 2 C ( 8) 1.347797 1 102.222025 1 96.260375 1 7 4 3 C ( 9) 1.465695 1 119.324315 1 233.335741 1 1 2 3 H ( 10) 1.100519 1 118.502933 1 192.983052 1 2 1 5 C ( 11) 1.462337 1 127.322971 1 121.306462 1 3 2 4 H ( 12) 1.101113 1 118.210378 1 193.364019 1 4 3 7 H ( 13) 1.086467 1 125.773020 1 182.995605 1 5 2 6 H ( 14) 1.087260 1 130.726401 1 175.633478 1 6 5 2 H ( 15) 1.086226 1 125.869641 1 181.922293 1 7 4 8 H ( 16) 1.087304 1 131.090069 1 174.877546 1 8 7 4 O ( 17) 1.215618 1 123.600497 1 273.108483 1 11 3 2 O ( 18) 1.212453 1 123.974976 1 190.976014 1 9 1 2 H ( 19) 1.101984 1 116.200297 1 178.796404 1 11 3 17 H ( 20) 1.104110 1 116.136168 1 180.980409 1 9 1 18 0.000000 0 0.000000 0 0.000000 0