C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.453414 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.019932 1 98.903288 1 0.000000 0 2 1 0 C ( 4) 1.453426 1 81.086412 1 0.702751 1 3 2 1 C ( 5) 1.486728 1 121.402815 1 279.588742 1 2 1 3 C ( 6) 1.347058 1 102.625804 1 94.995682 1 5 2 1 C ( 7) 1.486750 1 121.401996 1 279.074481 1 4 3 2 C ( 8) 1.347055 1 102.622669 1 95.005208 1 7 4 3 N ( 9) 1.436694 1 115.728614 1 232.737840 1 1 2 3 H ( 10) 1.101040 1 119.096741 1 192.535100 1 2 1 5 N ( 11) 1.436669 1 126.862464 1 115.570643 1 3 2 4 H ( 12) 1.101042 1 119.095201 1 192.551745 1 4 3 7 H ( 13) 1.086872 1 125.641136 1 182.147947 1 5 2 6 H ( 14) 1.087746 1 130.870615 1 175.487169 1 6 5 2 H ( 15) 1.086870 1 125.642506 1 182.147775 1 7 4 8 H ( 16) 1.087742 1 130.873820 1 175.491466 1 8 7 4 O ( 17) 1.183204 1 121.925525 1 89.852710 1 11 3 2 O ( 18) 1.183197 1 121.925221 1 188.256728 1 9 1 2 0.000000 0 0.000000 0 0.000000 0