REAL300009850696.mol2 47 1 C -0.11 -2.66 8.21 71.98 0.59 -2.07 16 2 C -0.07 -2.44 2.70 -52.16 -0.14 -2.58 16 3 C -0.11 -3.67 8.15 71.98 0.59 -3.08 16 4 C -0.09 -3.35 2.70 -52.16 -0.14 -3.49 16 5 C -0.11 -4.40 8.07 71.98 0.58 -3.81 16 6 C -0.10 -3.23 7.97 71.98 0.57 -2.66 16 7 C -0.24 -10.52 2.31 -53.67 -0.12 -10.64 16 8 C 0.53 31.36 5.18 71.24 0.37 31.73 16 9 O -0.73 -49.90 16.92 19.07 0.32 -49.58 16 10 O -0.70 -43.97 16.45 19.06 0.31 -43.66 16 11 C 0.58 22.84 4.68 87.66 0.41 23.25 16 12 O -0.53 -22.16 11.77 -3.04 -0.04 -22.20 16 13 N -0.66 -20.58 5.28 -303.57 -1.60 -22.18 16 14 C 0.17 4.15 6.29 38.24 0.24 4.39 16 15 C -0.12 -1.75 9.69 22.67 0.22 -1.53 16 16 C -0.03 -0.36 5.74 -21.25 -0.12 -0.48 16 17 C -0.01 -0.08 9.73 22.30 0.22 0.14 16 18 C -0.11 -1.40 9.65 22.23 0.21 -1.19 16 19 C 0.32 6.75 9.78 22.86 0.22 6.97 16 20 O -0.73 -25.84 17.20 -127.47 -2.19 -28.04 16 21 O -0.75 -28.38 17.19 -127.47 -2.19 -30.57 16 22 C -0.07 -1.31 9.49 22.79 0.22 -1.10 16 23 C -0.04 -0.60 5.74 -21.28 -0.12 -0.73 16 24 C -0.07 -1.28 9.74 22.33 0.22 -1.07 16 25 C -0.12 -3.16 8.56 22.16 0.19 -2.97 16 26 H 0.09 1.71 8.09 -2.39 -0.02 1.69 16 27 H 0.09 1.75 8.06 -2.39 -0.02 1.73 16 28 H 0.05 1.21 5.78 -2.38 -0.01 1.19 16 29 H 0.03 1.27 5.92 -2.38 -0.01 1.25 16 30 H 0.09 2.32 8.14 -2.39 -0.02 2.30 16 31 H 0.06 2.13 7.51 -2.38 -0.02 2.11 16 32 H 0.06 2.20 8.09 -2.39 -0.02 2.18 16 33 H 0.08 2.68 8.12 -2.39 -0.02 2.66 16 34 H 0.03 1.45 5.17 -2.39 -0.01 1.44 16 35 H 0.06 1.92 5.85 -2.38 -0.01 1.91 16 36 H 0.08 2.07 8.11 -2.39 -0.02 2.05 16 37 H 0.05 1.81 7.02 -2.39 -0.02 1.79 16 38 H 0.42 12.38 8.80 -92.71 -0.82 11.57 16 39 H 0.18 1.29 8.06 -2.91 -0.02 1.27 16 40 H 0.23 -0.71 8.06 -2.91 -0.02 -0.73 16 41 H 0.19 2.07 7.73 -2.91 -0.02 2.05 16 42 H 0.33 10.37 8.90 -74.05 -0.66 9.71 16 43 H 0.33 10.91 8.90 -74.05 -0.66 10.25 16 44 H 0.18 3.32 7.73 -2.91 -0.02 3.30 16 45 H 0.16 2.48 8.06 -2.91 -0.02 2.46 16 46 H 0.12 4.07 6.21 -2.91 -0.02 4.05 16 Total: -1.00 -97.25 377.50 -3.66 -100.91