REAL300008430922.mol2 58 1 C -0.14 -1.61 7.78 37.16 0.29 -1.32 16 2 C 0.15 1.89 1.57 -89.98 -0.14 1.75 16 3 C -0.15 -1.45 7.79 37.16 0.29 -1.16 16 4 O -0.56 -8.87 14.24 -59.50 -0.85 -9.71 16 5 C 0.31 1.97 6.43 -26.69 -0.17 1.80 16 6 C -0.17 -1.08 5.38 -26.61 -0.14 -1.22 16 7 C 0.13 0.76 6.44 -3.71 -0.02 0.74 16 8 N -0.63 -4.99 2.98 -173.03 -0.52 -5.50 16 9 C 0.53 6.94 7.07 -10.98 -0.08 6.86 16 10 O -0.51 -8.89 14.84 5.55 0.08 -8.81 16 11 C -0.11 -1.58 2.29 -90.03 -0.21 -1.78 16 12 C -0.11 -1.22 5.57 -24.66 -0.14 -1.35 16 13 C -0.08 -1.21 6.58 -25.22 -0.17 -1.38 16 14 C -0.12 -2.34 2.43 -154.26 -0.38 -2.71 16 15 C -0.16 -3.37 9.94 -26.91 -0.27 -3.63 16 16 C -0.19 -4.78 6.11 -91.96 -0.56 -5.35 16 17 C 0.52 16.95 7.59 36.01 0.27 17.22 16 18 O -0.70 -25.35 18.00 -20.23 -0.36 -25.71 16 19 O -0.68 -23.41 14.74 -20.23 -0.30 -23.71 16 20 C -0.09 -1.91 5.48 -25.75 -0.14 -2.05 16 21 C 0.12 0.57 5.51 -3.93 -0.02 0.54 16 22 C -0.18 -1.01 6.06 -26.83 -0.16 -1.17 16 23 O -0.55 -8.79 13.64 -59.50 -0.81 -9.61 16 24 C 0.15 1.89 1.56 -89.98 -0.14 1.75 16 25 C -0.14 -1.65 7.78 37.16 0.29 -1.36 16 26 C -0.15 -1.48 7.78 37.16 0.29 -1.19 16 27 H 0.06 0.65 8.14 -51.93 -0.42 0.23 16 28 H 0.06 0.49 7.00 -51.93 -0.36 0.12 16 29 H 0.06 0.79 6.61 -51.92 -0.34 0.45 16 30 H 0.06 0.53 6.62 -51.93 -0.34 0.18 16 31 H 0.06 0.44 7.01 -51.93 -0.36 0.07 16 32 H 0.06 0.57 8.14 -51.93 -0.42 0.14 16 33 H 0.13 0.36 8.14 -51.93 -0.42 -0.06 16 34 H 0.11 0.63 8.14 -51.93 -0.42 0.21 16 35 H 0.11 0.97 8.14 -51.93 -0.42 0.54 16 36 H 0.08 0.26 8.14 -51.93 -0.42 -0.16 16 37 H 0.12 1.00 7.00 -51.93 -0.36 0.63 16 38 H 0.10 1.30 7.58 -51.93 -0.39 0.90 16 39 H 0.07 0.77 8.05 -51.93 -0.42 0.35 16 40 H 0.07 0.48 6.31 -51.93 -0.33 0.16 16 41 H 0.06 0.82 8.11 -51.93 -0.42 0.39 16 42 H 0.07 0.97 8.14 -51.93 -0.42 0.55 16 43 H 0.09 1.95 8.14 -51.93 -0.42 1.53 16 44 H 0.08 1.45 8.14 -51.93 -0.42 1.03 16 45 H 0.09 2.15 8.14 -51.93 -0.42 1.73 16 46 H 0.13 3.22 5.06 -51.93 -0.26 2.96 16 47 H 0.07 1.53 6.85 -51.93 -0.36 1.17 16 48 H 0.13 0.60 4.48 -51.93 -0.23 0.37 16 49 H 0.09 0.16 8.14 -51.93 -0.42 -0.26 16 50 H 0.12 0.62 8.14 -51.93 -0.42 0.20 16 51 H 0.11 0.82 8.14 -51.93 -0.42 0.40 16 52 H 0.06 0.50 6.90 -51.93 -0.36 0.14 16 53 H 0.06 0.67 8.14 -51.93 -0.42 0.25 16 54 H 0.06 0.81 6.72 -51.92 -0.35 0.46 16 55 H 0.06 0.53 6.73 -51.93 -0.35 0.18 16 56 H 0.06 0.58 8.14 -51.93 -0.42 0.16 16 57 H 0.06 0.45 6.91 -51.93 -0.36 0.09 16 Total: -1.00 -46.96 425.65 -9.59 -56.56