REAL300018501516.mol2 49 1 O -0.70 -6.59 15.34 -20.23 -0.31 -6.90 16 2 C 0.48 3.87 7.63 36.00 0.27 4.14 16 3 O -0.66 -9.99 18.00 -20.23 -0.36 -10.35 16 4 C -0.22 0.39 5.17 -27.89 -0.14 0.25 16 5 C 0.05 -0.40 1.92 -67.71 -0.13 -0.53 16 6 H 0.15 -0.93 6.09 -51.93 -0.32 -1.25 16 7 C -0.15 1.52 3.72 -26.73 -0.10 1.42 16 8 C -0.10 1.00 2.02 -90.62 -0.18 0.82 16 9 C -0.13 0.97 4.96 -26.73 -0.13 0.84 16 10 C -0.12 0.77 5.92 -26.73 -0.16 0.61 16 11 C -0.12 0.70 5.92 -26.73 -0.16 0.54 16 12 C -0.12 0.83 5.92 -26.73 -0.16 0.67 16 13 C -0.11 0.96 5.21 -26.73 -0.14 0.83 16 14 N -0.50 5.81 1.68 -108.00 -0.18 5.63 16 15 H 0.42 -6.34 7.08 -39.30 -0.28 -6.62 16 16 H 0.44 -3.85 6.50 -39.29 -0.26 -4.10 16 17 C 0.03 -0.42 4.66 -4.98 -0.02 -0.44 16 18 C -0.15 1.65 5.35 -104.53 -0.56 1.09 16 19 C -0.05 0.62 9.68 -39.63 -0.38 0.23 16 20 C -0.11 0.73 9.75 -39.25 -0.38 0.35 16 21 C 0.33 -0.94 9.80 -38.72 -0.38 -1.32 16 22 O -0.64 -3.59 17.25 -57.73 -1.00 -4.58 16 23 O -0.65 -3.35 17.25 -57.73 -1.00 -4.35 16 24 C -0.10 0.53 9.75 -39.25 -0.38 0.15 16 25 C -0.05 0.38 9.68 -39.63 -0.38 0.00 16 26 H 0.11 -0.11 8.14 -51.93 -0.42 -0.54 16 27 H 0.08 -0.36 6.06 -51.92 -0.31 -0.67 16 28 H 0.11 -0.97 8.14 -51.93 -0.42 -1.39 16 29 H 0.09 -1.06 6.13 -51.93 -0.32 -1.38 16 30 H 0.06 -0.80 6.62 -51.93 -0.34 -1.14 16 31 H 0.07 -0.53 6.49 -51.93 -0.34 -0.86 16 32 H 0.07 -0.47 8.14 -51.93 -0.42 -0.90 16 33 H 0.07 -0.34 8.14 -51.93 -0.42 -0.77 16 34 H 0.06 -0.43 8.14 -51.93 -0.42 -0.85 16 35 H 0.06 -0.31 8.14 -51.92 -0.42 -0.73 16 36 H 0.06 -0.31 8.14 -51.93 -0.42 -0.73 16 37 H 0.06 -0.45 8.14 -51.93 -0.42 -0.88 16 38 H 0.07 -0.39 8.14 -51.93 -0.42 -0.81 16 39 H 0.06 -0.60 8.14 -51.93 -0.42 -1.03 16 40 H 0.07 -0.50 8.14 -51.93 -0.42 -0.93 16 41 H 0.15 -1.81 5.91 -51.92 -0.31 -2.12 16 42 H 0.14 -2.31 6.26 -51.93 -0.32 -2.64 16 43 H 0.17 -2.52 8.06 -52.49 -0.42 -2.94 16 44 H 0.18 -1.11 7.77 -52.49 -0.41 -1.52 16 45 H 0.34 1.08 8.90 45.56 0.41 1.48 16 46 H 0.34 0.99 8.90 45.56 0.41 1.40 16 47 H 0.18 -0.72 7.77 -52.49 -0.41 -1.13 16 48 H 0.18 -1.60 8.06 -52.48 -0.42 -2.02 16 Total: 0.00 -31.30 372.75 -9.05 -40.35