REAL300009850804.mol2 54 1 C -0.12 -2.18 8.37 37.16 0.31 -1.87 16 2 C -0.08 -1.75 2.70 -154.51 -0.42 -2.17 16 3 C -0.11 -2.28 8.39 37.16 0.31 -1.97 16 4 C -0.11 -2.04 1.52 -154.51 -0.23 -2.28 16 5 C -0.12 -2.20 7.77 37.16 0.29 -1.91 16 6 C -0.12 -1.79 7.18 37.16 0.27 -1.52 16 7 C -0.19 -4.47 1.22 -156.81 -0.19 -4.66 16 8 C 0.54 16.00 5.33 36.01 0.19 16.19 16 9 O -0.68 -20.54 15.11 -20.23 -0.31 -20.85 16 10 O -0.67 -22.90 16.98 -20.23 -0.34 -23.25 16 11 C 0.57 12.67 4.68 -10.98 -0.05 12.62 16 12 O -0.55 -13.18 14.19 5.55 0.08 -13.10 16 13 N -0.61 -10.42 2.40 -172.66 -0.42 -10.84 16 14 C 0.11 1.64 4.38 -3.66 -0.02 1.62 16 15 C -0.11 -1.48 5.20 -26.69 -0.14 -1.62 16 16 C -0.07 -0.63 0.75 -154.34 -0.12 -0.75 16 17 C -0.10 -0.51 6.42 -26.08 -0.17 -0.68 16 18 C -0.17 -0.97 3.81 -89.74 -0.34 -1.31 16 19 C 0.31 1.54 8.89 37.16 0.33 1.87 16 20 O -0.65 -10.99 17.78 -57.73 -1.03 -12.02 16 21 O -0.70 -12.18 17.73 -57.73 -1.02 -13.20 16 22 C -0.13 -0.95 5.54 -26.09 -0.14 -1.10 16 23 C -0.12 -1.22 5.25 -26.69 -0.14 -1.36 16 24 C 0.11 1.46 6.29 -3.67 -0.02 1.44 16 25 H 0.06 1.03 8.09 -51.93 -0.42 0.61 16 26 H 0.05 0.74 7.87 -51.93 -0.41 0.33 16 27 H 0.07 1.37 5.21 -51.93 -0.27 1.10 16 28 H 0.06 1.28 5.94 -51.93 -0.31 0.98 16 29 H 0.05 0.80 8.13 -51.93 -0.42 0.37 16 30 H 0.07 1.64 7.60 -51.93 -0.39 1.25 16 31 H 0.05 0.87 7.89 -51.93 -0.41 0.46 16 32 H 0.05 0.78 8.09 -51.93 -0.42 0.36 16 33 H 0.09 1.99 4.90 -51.92 -0.25 1.74 16 34 H 0.05 0.87 5.51 -51.93 -0.29 0.58 16 35 H 0.05 0.77 7.82 -51.93 -0.41 0.37 16 36 H 0.06 0.77 7.82 -51.93 -0.41 0.36 16 37 H 0.12 2.31 3.73 -51.93 -0.19 2.12 16 38 H 0.05 0.65 7.31 -51.93 -0.38 0.27 16 39 H 0.09 1.56 8.14 -51.93 -0.42 1.14 16 40 H 0.07 0.88 7.31 -51.93 -0.38 0.50 16 41 H 0.09 0.48 7.32 -51.93 -0.38 0.10 16 42 H 0.09 0.23 8.03 -51.93 -0.42 -0.19 16 43 H 0.14 1.01 7.61 -51.93 -0.39 0.61 16 44 H 0.14 0.29 8.14 -51.93 -0.42 -0.14 16 45 H 0.13 0.16 7.84 -51.93 -0.41 -0.25 16 46 H 0.34 5.47 9.20 45.56 0.42 5.89 16 47 H 0.31 4.12 7.65 45.56 0.35 4.47 16 48 H 0.09 0.47 7.85 -51.93 -0.41 0.07 16 49 H 0.09 0.84 8.09 -51.93 -0.42 0.42 16 50 H 0.07 0.51 8.12 -51.93 -0.42 0.09 16 51 H 0.08 1.00 8.14 -51.93 -0.42 0.58 16 52 H 0.09 1.34 7.00 -51.93 -0.36 0.98 16 53 H 0.06 0.61 8.06 -51.93 -0.42 0.19 16 Total: -1.00 -44.51 392.29 -6.90 -51.40