C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0
C ( 2) 1.442861 1 0.000000 0 0.000000 0 1 0 0
C ( 3) 2.094782 1 77.452140 1 0.000000 0 2 1 0
C ( 4) 1.435666 1 100.380365 1 0.064186 1 3 2 1
C ( 5) 1.476862 1 116.736094 1 65.681177 1 2 1 3
C ( 6) 1.351617 1 105.423470 1 296.151616 1 5 2 1
C ( 7) 1.485169 1 116.653590 1 291.236144 1 4 3 2
C ( 8) 1.349081 1 103.875904 1 68.282686 1 7 4 3
H ( 9) 1.088727 1 124.864335 1 182.492967 1 5 2 6
H ( 10) 1.087336 1 130.914795 1 173.616629 1 6 5 2
H ( 11) 1.087687 1 125.428147 1 178.066389 1 7 4 8
H ( 12) 1.086944 1 131.426138 1 185.162945 1 8 7 4
H ( 13) 1.101663 1 120.286185 1 250.490548 1 1 2 3
C ( 14) 1.456236 1 121.214962 1 169.290230 1 2 1 5
H ( 15) 1.101048 1 98.309862 1 236.616344 1 3 2 4
C ( 16) 1.463383 1 121.447274 1 190.529516 1 4 3 7
H ( 17) 1.103432 1 116.119278 1 7.893062 1 14 2 1
H ( 18) 1.103579 1 116.018504 1 352.542112 1 16 4 3
O ( 19) 1.214632 1 123.904455 1 179.310097 1 14 2 17
O ( 20) 1.212643 1 123.701675 1 180.525936 1 16 4 18
0.000000 0 0.000000 0 0.000000 0