C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.411432 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.085086 1 101.638747 1 0.000000 0 2 1 0 C ( 4) 1.411434 1 78.360522 1 0.005098 1 3 2 1 H ( 5) 1.093250 1 121.512943 1 257.929901 1 2 1 3 H ( 6) 1.102112 1 104.665131 1 242.147155 1 3 2 4 H ( 7) 1.092124 1 119.745632 1 258.868431 1 4 3 2 H ( 8) 1.102112 1 119.589295 1 259.613817 1 1 2 3 N ( 9) 1.435889 1 116.868949 1 206.060715 1 1 2 8 H ( 10) 1.092123 1 119.745850 1 203.199528 1 2 1 5 N ( 11) 1.435894 1 109.099794 1 232.498827 1 3 2 6 H ( 12) 1.093247 1 121.512286 1 203.203287 1 4 3 7 O ( 18) 1.184859 1 120.738922 1 168.662470 1 9 1 2 O ( 19) 1.184858 1 120.737496 1 105.028230 1 11 3 2 0.000000 0 0.000000 0 0.000000 0