C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.455116 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.014610 1 97.885984 1 0.000000 0 2 1 0 C ( 4) 1.455114 1 82.112708 1 359.562252 1 3 2 1 C ( 5) 1.485780 1 120.892067 1 279.859408 1 2 1 3 C ( 6) 1.346040 1 102.481422 1 94.119934 1 5 2 1 C ( 7) 1.485779 1 120.891836 1 280.175184 1 4 3 2 C ( 8) 1.346039 1 102.480959 1 94.121539 1 7 4 3 N ( 9) 1.477039 1 120.523139 1 231.627914 1 1 2 3 H ( 10) 1.103206 1 119.443341 1 192.454606 1 2 1 5 N ( 11) 1.477036 1 127.088028 1 122.550489 1 3 2 4 H ( 12) 1.103206 1 119.443509 1 192.454482 1 4 3 7 H ( 13) 1.087554 1 125.757899 1 181.506748 1 5 2 6 H ( 14) 1.088479 1 131.271077 1 175.483183 1 6 5 2 H ( 15) 1.087554 1 125.758151 1 181.506920 1 7 4 8 H ( 16) 1.088479 1 131.270911 1 175.482296 1 8 7 4 O ( 17) 1.218772 1 118.670852 1 262.506118 1 11 3 2 O ( 18) 1.213692 1 119.636418 1 186.186596 1 9 1 2 O ( 19) 1.213692 1 119.636633 1 179.460064 1 11 3 17 O ( 20) 1.218770 1 118.670867 1 180.539663 1 9 1 18 0.000000 0 0.000000 0 0.000000 0