REAL300009850781.mol2 47 1 C -0.12 -2.47 6.73 37.16 0.25 -2.22 16 2 C -0.11 -2.68 0.82 -156.81 -0.13 -2.81 16 3 C -0.12 -2.41 8.27 37.16 0.31 -2.11 16 4 C 0.51 15.82 6.80 36.00 0.24 16.06 16 5 O -0.69 -23.76 17.07 -20.23 -0.35 -24.11 16 6 O -0.69 -22.94 15.44 -20.23 -0.31 -23.25 16 7 C 0.00 -0.09 4.67 -104.53 -0.49 -0.58 16 8 C -0.08 -1.75 7.91 -39.64 -0.31 -2.06 16 9 C -0.07 -1.30 9.66 -39.18 -0.38 -1.68 16 10 C -0.16 -2.60 5.08 -104.96 -0.53 -3.13 16 11 C 0.57 8.28 7.31 -12.33 -0.09 8.19 16 12 O -0.54 -9.17 16.37 5.32 0.09 -9.08 16 13 N -0.62 -6.26 2.97 -173.62 -0.51 -6.78 16 14 C 0.10 0.93 4.96 -3.49 -0.02 0.91 16 15 C -0.13 -1.08 5.38 -26.39 -0.14 -1.22 16 16 C -0.15 -0.69 1.95 -90.58 -0.18 -0.87 16 17 C 0.38 1.58 8.82 37.16 0.33 1.91 16 18 O -0.73 -11.80 17.78 -57.73 -1.03 -12.82 16 19 O -0.72 -10.49 16.37 -57.73 -0.94 -11.44 16 20 C -0.11 -0.35 5.36 -26.61 -0.14 -0.49 16 21 C 0.12 0.78 6.44 -3.71 -0.02 0.76 16 22 C -0.10 -1.50 7.40 -39.18 -0.29 -1.79 16 23 C -0.14 -2.45 8.96 -39.64 -0.36 -2.80 16 24 H 0.04 0.68 7.52 -51.93 -0.39 0.29 16 25 H 0.06 1.36 7.85 -51.93 -0.41 0.96 16 26 H 0.05 1.04 7.49 -51.93 -0.39 0.65 16 27 H 0.05 1.11 7.37 -51.93 -0.38 0.73 16 28 H 0.06 1.18 8.14 -51.93 -0.42 0.76 16 29 H 0.04 0.79 8.14 -51.93 -0.42 0.37 16 30 H 0.14 3.06 6.75 -52.49 -0.35 2.70 16 31 H 0.12 2.06 8.06 -52.49 -0.42 1.64 16 32 H 0.07 0.62 8.13 -51.93 -0.42 0.19 16 33 H 0.11 1.29 4.80 -51.93 -0.25 1.04 16 34 H 0.08 0.63 8.14 -51.93 -0.42 0.21 16 35 H 0.10 1.04 7.71 -51.93 -0.40 0.64 16 36 H 0.13 0.71 7.73 -51.93 -0.40 0.31 16 37 H 0.14 0.25 8.14 -51.93 -0.42 -0.17 16 38 H 0.14 -0.05 8.14 -51.93 -0.42 -0.47 16 39 H 0.33 4.78 8.90 45.56 0.41 5.19 16 40 H 0.33 4.49 8.90 45.56 0.41 4.89 16 41 H 0.09 0.27 8.14 -51.92 -0.42 -0.15 16 42 H 0.09 -0.01 8.14 -51.93 -0.42 -0.43 16 43 H 0.11 0.83 7.00 -51.93 -0.36 0.47 16 44 H 0.08 0.39 8.14 -51.93 -0.42 -0.03 16 45 H 0.12 1.45 6.72 -52.49 -0.35 1.09 16 46 H 0.13 2.06 5.87 -52.49 -0.31 1.75 16 Total: -1.00 -46.39 368.45 -6.87 -53.27