REAL300018588345.mol2 47 1 O -0.67 -14.51 17.24 -20.53 -0.35 -14.87 16 2 C 0.51 8.96 8.01 34.53 0.28 9.24 16 3 O -0.68 -14.17 17.24 -20.53 -0.35 -14.52 16 4 C -0.12 -0.95 5.87 -105.04 -0.62 -1.56 16 5 C -0.07 -0.30 9.59 -39.09 -0.37 -0.67 16 6 C -0.13 0.22 10.02 -39.69 -0.40 -0.18 16 7 C -0.13 0.61 7.95 -39.15 -0.31 0.29 16 8 C -0.12 0.41 3.69 -104.95 -0.39 0.03 16 9 C 0.00 -0.01 5.33 -104.90 -0.56 -0.56 16 10 C -0.10 0.38 9.62 -39.26 -0.38 0.00 16 11 C -0.08 0.42 10.03 -39.63 -0.40 0.02 16 12 C -0.12 0.90 10.04 -39.52 -0.40 0.50 16 13 C -0.09 0.89 9.66 -39.63 -0.38 0.51 16 14 C -0.16 1.79 5.40 -104.30 -0.56 1.22 16 15 C 0.04 -0.71 4.96 -4.97 -0.02 -0.73 16 16 N -0.51 9.51 1.74 -116.34 -0.20 9.30 16 17 H 0.43 -6.75 7.19 -39.29 -0.28 -7.03 16 18 H 0.43 -9.09 8.70 -39.29 -0.34 -9.43 16 19 C 0.05 -0.90 5.49 -4.98 -0.03 -0.93 16 20 C -0.16 2.30 5.36 -104.53 -0.56 1.74 16 21 C -0.04 0.43 9.68 -39.63 -0.38 0.04 16 22 C -0.10 0.50 9.75 -39.25 -0.38 0.11 16 23 C 0.33 -0.97 9.80 -38.73 -0.38 -1.35 16 24 O -0.65 -3.38 17.25 -57.73 -1.00 -4.38 16 25 O -0.62 -3.91 17.25 -57.73 -1.00 -4.91 16 26 C -0.11 0.83 9.75 -39.25 -0.38 0.45 16 27 C -0.05 0.73 9.68 -39.63 -0.38 0.35 16 28 C -0.07 -0.19 9.15 -38.80 -0.35 -0.54 16 29 H 0.14 0.86 7.64 -52.49 -0.40 0.46 16 30 H 0.12 -0.46 8.06 -52.49 -0.42 -0.89 16 31 H 0.12 -0.94 6.95 -52.48 -0.36 -1.30 16 32 H 0.14 -0.28 8.06 -52.48 -0.42 -0.70 16 33 H 0.13 -0.77 8.06 -52.49 -0.42 -1.20 16 34 H 0.13 -1.10 8.06 -52.49 -0.42 -1.53 16 35 H 0.13 -1.76 8.00 -52.49 -0.42 -2.18 16 36 H 0.14 -2.80 7.95 -51.93 -0.41 -3.21 16 37 H 0.14 -2.34 5.06 -51.93 -0.26 -2.60 16 38 H 0.15 -3.31 8.08 -51.93 -0.42 -3.73 16 39 H 0.15 -2.87 8.06 -51.93 -0.42 -3.29 16 40 H 0.17 -1.85 8.06 -52.49 -0.42 -2.27 16 41 H 0.18 -0.46 7.77 -52.49 -0.41 -0.87 16 42 H 0.34 1.04 8.90 45.56 0.41 1.45 16 43 H 0.35 1.27 8.90 45.56 0.41 1.68 16 44 H 0.18 -1.24 7.77 -52.49 -0.41 -1.65 16 45 H 0.17 -2.95 8.06 -52.48 -0.42 -3.37 16 46 H 0.13 0.58 7.64 -52.49 -0.40 0.18 16 Total: 0.00 -46.35 396.50 -10.56 -56.91