REAL300018443955.mol2 46 1 O -0.66 -13.12 14.67 -20.23 -0.30 -13.41 16 2 C 0.51 9.49 6.84 36.00 0.25 9.73 16 3 O -0.66 -15.02 16.16 -20.23 -0.33 -15.35 16 4 C -0.14 -1.56 1.00 -154.84 -0.15 -1.72 16 5 C -0.08 -0.43 4.50 -26.73 -0.12 -0.55 16 6 C -0.13 -0.26 4.79 -26.73 -0.13 -0.39 16 7 C -0.14 0.93 5.44 -26.73 -0.15 0.79 16 8 C 0.00 0.03 5.37 -3.82 -0.02 0.01 16 9 N -0.50 7.92 1.59 -115.06 -0.18 7.74 16 10 H 0.43 -6.17 7.02 -39.29 -0.28 -6.45 16 11 H 0.41 -8.18 8.66 -39.29 -0.34 -8.52 16 12 C 0.05 -0.68 4.64 -4.97 -0.02 -0.71 16 13 C -0.14 1.89 5.38 -104.29 -0.56 1.33 16 14 C -0.06 0.95 9.66 -39.63 -0.38 0.57 16 15 C -0.11 1.54 10.04 -39.48 -0.40 1.14 16 16 C -0.05 0.61 10.03 -39.63 -0.40 0.21 16 17 C -0.11 1.12 9.75 -39.25 -0.38 0.74 16 18 C 0.31 -2.84 9.76 -38.72 -0.38 -3.22 16 19 O -0.74 3.36 12.34 -57.73 -0.71 2.64 16 20 O -0.61 0.12 17.25 -57.73 -1.00 -0.87 16 21 C -0.12 -1.10 7.06 -25.91 -0.18 -1.28 16 22 C -0.13 -1.36 7.63 -25.92 -0.20 -1.56 16 23 C -0.12 -1.25 7.22 -25.92 -0.19 -1.43 16 24 H 0.06 0.39 8.14 -51.93 -0.42 -0.04 16 25 H 0.05 0.13 7.94 -51.93 -0.41 -0.28 16 26 H 0.06 0.09 8.14 -51.93 -0.42 -0.33 16 27 H 0.12 0.85 5.28 -51.93 -0.27 0.58 16 28 H 0.08 -0.49 8.14 -51.93 -0.42 -0.91 16 29 H 0.07 -0.65 8.14 -51.93 -0.42 -1.08 16 30 H 0.13 -1.68 8.14 -51.93 -0.42 -2.11 16 31 H 0.14 -1.25 8.14 -51.93 -0.42 -1.67 16 32 H 0.17 -1.92 5.80 -51.93 -0.30 -2.22 16 33 H 0.14 -2.48 8.00 -51.93 -0.42 -2.90 16 34 H 0.17 -3.11 8.03 -52.48 -0.42 -3.53 16 35 H 0.16 -2.57 8.06 -52.49 -0.42 -3.00 16 36 H 0.17 -2.47 8.06 -52.48 -0.42 -2.89 16 37 H 0.18 -1.59 7.77 -52.49 -0.41 -2.00 16 38 H 0.34 -1.16 8.90 45.56 0.41 -0.75 16 39 H 0.35 -0.64 8.90 45.56 0.41 -0.24 16 40 H 0.07 0.38 7.96 -51.93 -0.41 -0.03 16 41 H 0.06 0.68 8.10 -51.93 -0.42 0.26 16 42 H 0.10 1.30 7.03 -51.93 -0.37 0.94 16 43 H 0.05 0.40 8.14 -51.93 -0.42 -0.02 16 44 H 0.06 0.76 8.09 -51.93 -0.42 0.34 16 45 H 0.07 0.49 8.10 -51.93 -0.42 0.07 16 Total: 0.00 -38.55 359.83 -8.39 -46.94