REAL300020159474.mol2 44 1 O -0.52 -8.21 13.67 5.55 0.08 -8.14 16 2 C 0.52 6.42 7.57 -10.98 -0.08 6.34 16 3 C -0.14 -1.11 5.68 -27.88 -0.16 -1.27 16 4 C -0.07 -0.55 4.62 -27.89 -0.13 -0.67 16 5 C -0.08 -0.49 5.16 -104.37 -0.54 -1.03 16 6 C -0.08 -0.24 9.68 -39.58 -0.38 -0.62 16 7 C -0.10 -0.15 10.04 -39.48 -0.40 -0.55 16 8 C -0.10 -0.28 10.04 -39.63 -0.40 -0.68 16 9 C -0.08 -0.50 6.31 -104.36 -0.66 -1.16 16 10 C 0.26 2.24 9.97 -38.81 -0.39 1.85 16 11 O -0.54 -7.84 17.75 -56.57 -1.00 -8.85 16 12 O -0.46 -6.63 15.05 -56.57 -0.85 -7.48 16 13 C 0.09 0.79 7.74 35.91 0.28 1.07 16 14 N -0.67 -8.72 5.34 -9.86 -0.05 -8.77 16 15 C 0.13 2.26 6.28 -83.69 -0.53 1.73 16 16 C -0.13 -2.24 8.66 -39.39 -0.34 -2.58 16 17 C -0.11 -1.81 10.04 -39.61 -0.40 -2.21 16 18 C -0.12 -2.19 9.70 -39.55 -0.38 -2.58 16 19 C -0.04 -0.80 5.11 -104.65 -0.54 -1.33 16 20 C 0.03 0.72 5.97 -29.04 -0.17 0.54 16 21 C 0.06 1.60 7.63 -155.99 -1.19 0.41 16 22 N -0.38 -11.78 12.45 32.58 0.41 -11.38 16 23 N -0.20 -6.46 13.46 60.35 0.81 -5.65 16 24 N -0.20 -6.46 13.46 60.35 0.81 -5.65 16 25 N -0.39 -11.73 12.45 32.58 0.41 -11.33 16 26 C -0.13 -2.33 9.62 -39.39 -0.38 -2.71 16 27 H 0.10 0.50 8.14 -51.93 -0.42 0.08 16 28 H 0.10 0.92 8.14 -51.93 -0.42 0.49 16 29 H 0.10 1.13 7.30 -51.93 -0.38 0.75 16 30 H 0.10 0.65 8.01 -51.93 -0.42 0.24 16 31 H 0.16 0.07 8.06 -52.49 -0.42 -0.36 16 32 H 0.15 -0.20 8.06 -52.49 -0.42 -0.63 16 33 H 0.16 -0.02 8.06 -52.48 -0.42 -0.44 16 34 H 0.36 4.36 9.30 45.56 0.42 4.79 16 35 H 0.07 0.49 8.14 -51.93 -0.42 0.07 16 36 H 0.07 0.50 8.14 -51.93 -0.42 0.08 16 37 H 0.41 4.20 8.82 -40.82 -0.36 3.84 16 38 H 0.13 2.20 6.42 -52.48 -0.34 1.86 16 39 H 0.12 1.75 8.06 -52.49 -0.42 1.33 16 40 H 0.12 2.22 8.06 -52.49 -0.42 1.80 16 41 H 0.08 1.49 8.09 -51.93 -0.42 1.07 16 42 H 0.08 1.55 8.08 -51.93 -0.42 1.13 16 43 H 0.13 2.11 8.06 -52.49 -0.42 1.69 16 Total: -1.00 -42.59 380.37 -6.58 -49.17