C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.409747 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.087731 1 99.651682 1 0.000000 0 2 1 0 C ( 4) 1.409764 1 80.076458 1 353.275007 1 3 2 1 H ( 5) 1.092341 1 119.666034 1 260.701482 1 2 1 3 H ( 6) 1.104921 1 100.127335 1 242.654340 1 3 2 4 H ( 7) 1.092345 1 119.662433 1 265.223915 1 4 3 2 H ( 8) 1.104923 1 118.409132 1 100.752324 1 1 2 3 N ( 9) 1.474050 1 122.385069 1 151.722805 1 1 2 8 H ( 10) 1.094341 1 121.836317 1 201.938790 1 2 1 5 N ( 11) 1.473991 1 113.870107 1 238.489008 1 3 2 6 H ( 12) 1.094348 1 121.835062 1 201.962386 1 4 3 7 O ( 17) 1.217519 1 119.442481 1 268.442404 1 11 3 2 O ( 18) 1.215115 1 118.440554 1 181.419065 1 9 1 2 O ( 19) 1.215120 1 118.443572 1 179.803803 1 11 3 13 O ( 20) 1.217502 1 119.442697 1 180.190364 1 9 1 14 0.000000 0 0.000000 0 0.000000 0