C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.524941 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.200301 1 72.657045 1 0.000000 0 2 1 0 C ( 4) 1.479699 1 85.681204 1 1.970038 1 3 2 1 C ( 5) 1.425721 1 122.757126 1 52.821542 1 2 1 3 C ( 6) 1.387305 1 107.997417 1 320.487436 1 5 2 1 C ( 7) 1.524964 1 114.582223 1 272.071796 1 4 3 2 C ( 8) 1.347166 1 94.845541 1 90.594912 1 7 4 3 H ( 9) 1.091969 1 124.768120 1 178.349679 1 5 2 6 H ( 10) 1.088000 1 128.352790 1 144.750514 1 6 5 2 H ( 11) 1.082881 1 129.381078 1 179.623334 1 7 4 8 H ( 12) 1.083419 1 135.276013 1 181.550163 1 8 7 4 H ( 13) 1.105973 1 112.713603 1 226.661068 1 1 2 3 N ( 14) 1.446912 1 112.601055 1 163.023654 1 2 1 5 H ( 15) 1.097134 1 97.573721 1 240.418228 1 3 2 4 N ( 16) 1.484770 1 116.723382 1 210.067066 1 4 3 7 O ( 17) 1.183404 1 121.385316 1 185.370212 1 14 2 1 O ( 18) 1.173076 1 121.038157 1 129.658129 1 16 4 3 0.000000 0 0.000000 0 0.000000 0