REAL300018443956.mol2 46 1 O -0.72 -29.10 14.67 19.03 0.28 -28.82 16 2 C 0.49 19.11 6.84 71.23 0.49 19.59 16 3 O -0.75 -37.39 16.16 19.04 0.31 -37.08 16 4 C -0.15 -3.25 1.00 -52.40 -0.05 -3.31 16 5 C -0.08 -0.44 4.50 30.59 0.14 -0.30 16 6 C -0.14 0.48 4.79 30.59 0.15 0.63 16 7 C -0.14 3.71 5.44 30.59 0.17 3.88 16 8 C 0.01 -0.54 5.37 86.30 0.46 -0.07 16 9 N -0.49 27.68 1.74 -517.93 -0.90 26.78 16 10 H 0.44 -27.14 8.66 -89.69 -0.78 -27.92 16 11 H 0.44 -25.92 8.66 -89.69 -0.78 -26.70 16 12 C 0.05 -3.01 5.50 85.56 0.47 -2.54 16 13 C -0.11 4.88 5.36 -19.80 -0.11 4.77 16 14 C -0.01 0.55 9.68 22.24 0.22 0.76 16 15 C -0.12 2.92 9.75 22.48 0.22 3.14 16 16 C 0.33 -4.41 9.80 22.83 0.22 -4.18 16 17 O -0.75 -10.46 17.25 -127.47 -2.20 -12.66 16 18 O -0.75 -9.97 17.25 -127.47 -2.20 -12.17 16 19 C -0.12 2.84 9.75 22.49 0.22 3.06 16 20 C -0.02 0.72 9.68 22.24 0.22 0.94 16 21 C -0.10 -1.65 7.06 31.12 0.22 -1.43 16 22 C -0.14 -2.94 7.64 31.12 0.24 -2.71 16 23 C -0.12 -2.38 7.22 31.13 0.22 -2.16 16 24 H 0.04 0.36 8.14 -2.39 -0.02 0.34 16 25 H 0.08 -0.21 7.94 -2.39 -0.02 -0.23 16 26 H 0.05 -0.21 8.14 -2.39 -0.02 -0.23 16 27 H 0.06 0.58 5.28 -2.39 -0.01 0.57 16 28 H 0.08 -2.24 8.14 -2.39 -0.02 -2.26 16 29 H 0.11 -3.52 8.14 -2.39 -0.02 -3.53 16 30 H 0.13 -5.17 8.14 -2.39 -0.02 -5.19 16 31 H 0.15 -6.73 8.14 -2.39 -0.02 -6.75 16 32 H 0.17 -9.75 8.08 -2.39 -0.02 -9.77 16 33 H 0.18 -10.68 8.08 -2.39 -0.02 -10.70 16 34 H 0.23 -11.40 8.06 -2.91 -0.02 -11.42 16 35 H 0.17 -3.24 7.77 -2.91 -0.02 -3.26 16 36 H 0.33 3.98 8.90 -74.06 -0.66 3.32 16 37 H 0.33 3.82 8.90 -74.06 -0.66 3.16 16 38 H 0.17 -2.89 7.77 -2.91 -0.02 -2.91 16 39 H 0.22 -10.38 8.06 -2.91 -0.02 -10.40 16 40 H 0.12 0.64 7.96 -2.38 -0.02 0.62 16 41 H 0.03 0.75 8.10 -2.39 -0.02 0.73 16 42 H 0.04 1.39 7.03 -2.39 -0.02 1.37 16 43 H 0.08 1.11 8.14 -2.39 -0.02 1.09 16 44 H 0.02 0.61 8.09 -2.39 -0.02 0.59 16 45 H 0.11 1.14 8.10 -2.39 -0.02 1.12 16 Total: 0.00 -147.75 368.89 -4.49 -152.24