REAL300018577694.mol2 47 1 O -0.71 -12.55 15.35 19.06 0.29 -12.26 16 2 C 0.46 8.19 7.64 71.24 0.54 8.74 16 3 O -0.75 -26.45 18.00 19.04 0.34 -26.11 16 4 C -0.19 0.61 5.14 29.85 0.15 0.77 16 5 C 0.08 -1.84 1.93 44.92 0.09 -1.76 16 6 H 0.16 -3.86 7.69 -2.39 -0.02 -3.88 16 7 C 0.04 -1.01 5.43 71.98 0.39 -0.62 16 8 O -0.40 8.89 9.02 -148.98 -1.34 7.55 16 9 C 0.11 -2.24 6.06 71.24 0.43 -1.81 16 10 C -0.10 1.21 5.51 -19.87 -0.11 1.10 16 11 C -0.12 0.67 9.70 22.27 0.22 0.88 16 12 C -0.15 0.42 10.05 22.27 0.22 0.64 16 13 C -0.13 0.51 10.05 22.27 0.22 0.74 16 14 C -0.14 1.09 10.05 22.27 0.22 1.31 16 15 C -0.10 1.26 9.70 22.27 0.22 1.48 16 16 N -0.50 15.22 1.58 -495.55 -0.78 14.44 16 17 H 0.44 -14.86 8.14 -89.69 -0.73 -15.59 16 18 H 0.43 -9.78 6.54 -89.69 -0.59 -10.37 16 19 C 0.05 -1.78 5.13 85.56 0.44 -1.34 16 20 C -0.11 3.56 5.35 -19.80 -0.11 3.45 16 21 C -0.01 0.33 9.68 22.24 0.22 0.55 16 22 C -0.11 1.85 9.75 22.49 0.22 2.07 16 23 C 0.33 -1.68 9.80 22.83 0.22 -1.46 16 24 O -0.75 -14.98 17.25 -127.47 -2.20 -17.18 16 25 O -0.74 -13.14 17.25 -127.47 -2.20 -15.34 16 26 C -0.12 1.46 9.75 22.48 0.22 1.68 16 27 C -0.02 0.60 9.68 22.24 0.22 0.82 16 28 H 0.09 -0.35 7.77 -2.39 -0.02 -0.36 16 29 H 0.10 -0.16 8.14 -2.38 -0.02 -0.18 16 30 H 0.13 -5.26 6.29 -2.39 -0.02 -5.27 16 31 H 0.09 -2.35 8.14 -2.39 -0.02 -2.36 16 32 H 0.10 -2.80 8.08 -2.39 -0.02 -2.82 16 33 H 0.06 -1.17 8.08 -2.39 -0.02 -1.19 16 34 H 0.12 -0.84 8.06 -2.91 -0.02 -0.87 16 35 H 0.12 -0.44 8.06 -2.91 -0.02 -0.46 16 36 H 0.12 -0.64 8.06 -2.91 -0.02 -0.66 16 37 H 0.14 -1.49 8.06 -2.91 -0.02 -1.51 16 38 H 0.16 -3.44 8.06 -2.91 -0.02 -3.46 16 39 H 0.17 -7.31 7.96 -2.39 -0.02 -7.33 16 40 H 0.19 -9.40 6.39 -2.39 -0.02 -9.41 16 41 H 0.23 -9.68 8.06 -2.91 -0.02 -9.70 16 42 H 0.18 -2.46 7.77 -2.91 -0.02 -2.48 16 43 H 0.33 5.67 8.90 -74.05 -0.66 5.01 16 44 H 0.33 5.14 8.90 -74.06 -0.66 4.49 16 45 H 0.17 -1.15 7.77 -2.91 -0.02 -1.18 16 46 H 0.21 -5.94 8.06 -2.91 -0.02 -5.97 16 Total: 0.00 -102.37 391.83 -4.87 -107.24