REAL300018645762.mol2 47 1 O -0.70 -5.65 15.06 -20.23 -0.30 -5.95 16 2 C 0.50 3.46 6.12 36.01 0.22 3.68 16 3 O -0.64 -8.17 14.55 -20.22 -0.29 -8.46 16 4 C -0.15 0.16 0.35 -155.63 -0.05 0.10 16 5 C 0.02 -0.14 3.89 -3.82 -0.01 -0.16 16 6 N -0.50 5.82 1.58 -115.06 -0.18 5.64 16 7 H 0.44 -3.53 5.86 -39.29 -0.23 -3.76 16 8 H 0.42 -5.44 6.80 -39.29 -0.27 -5.71 16 9 C 0.04 -0.67 5.49 -4.98 -0.03 -0.70 16 10 C -0.15 1.78 5.36 -104.53 -0.56 1.22 16 11 C -0.05 0.45 9.68 -39.63 -0.38 0.07 16 12 C -0.10 0.61 9.75 -39.25 -0.38 0.23 16 13 C 0.33 -1.01 9.80 -38.72 -0.38 -1.39 16 14 O -0.64 -3.45 17.25 -57.73 -1.00 -4.45 16 15 O -0.65 -3.31 17.25 -57.73 -1.00 -4.31 16 16 C -0.11 0.72 9.75 -39.25 -0.38 0.34 16 17 C -0.05 0.61 9.68 -39.63 -0.38 0.22 16 18 C -0.10 0.20 4.50 -26.73 -0.12 0.08 16 19 C -0.08 0.09 3.19 -90.60 -0.29 -0.20 16 20 C -0.11 0.32 5.71 -26.73 -0.15 0.17 16 21 C -0.12 0.33 5.35 -26.73 -0.14 0.19 16 22 C -0.05 -0.02 1.89 -90.59 -0.17 -0.19 16 23 C -0.13 -0.46 5.39 -26.73 -0.14 -0.60 16 24 C -0.11 -0.23 5.71 -26.71 -0.15 -0.38 16 25 H 0.12 -1.42 6.43 -51.93 -0.33 -1.75 16 26 H 0.12 -1.10 8.14 -51.93 -0.42 -1.52 16 27 H 0.14 -2.50 8.08 -51.93 -0.42 -2.92 16 28 H 0.14 -2.32 8.08 -51.93 -0.42 -2.74 16 29 H 0.17 -2.08 8.06 -52.48 -0.42 -2.50 16 30 H 0.18 -0.88 7.77 -52.49 -0.41 -1.29 16 31 H 0.34 1.02 8.90 45.56 0.41 1.42 16 32 H 0.34 0.97 8.90 45.56 0.41 1.37 16 33 H 0.18 -1.09 7.77 -52.49 -0.41 -1.50 16 34 H 0.17 -2.52 8.06 -52.48 -0.42 -2.94 16 35 H 0.08 0.11 7.46 -51.93 -0.39 -0.28 16 36 H 0.05 -0.31 6.29 -51.93 -0.33 -0.64 16 37 H 0.07 -0.10 8.14 -51.92 -0.42 -0.53 16 38 H 0.06 -0.12 8.14 -51.93 -0.42 -0.55 16 39 H 0.06 -0.27 8.14 -51.93 -0.42 -0.69 16 40 H 0.05 -0.30 6.43 -51.93 -0.33 -0.64 16 41 H 0.07 -0.11 8.14 -51.93 -0.42 -0.53 16 42 H 0.08 0.14 8.10 -51.93 -0.42 -0.28 16 43 H 0.11 0.85 5.51 -51.93 -0.29 0.57 16 44 H 0.05 0.17 8.14 -51.93 -0.42 -0.25 16 45 H 0.06 0.23 8.14 -51.93 -0.42 -0.20 16 46 H 0.06 0.08 8.14 -51.93 -0.42 -0.34 16 Total: 0.00 -29.09 350.97 -8.66 -37.75