REAL300018526580.mol2 45 1 C -0.15 -0.97 8.89 37.16 0.33 -0.63 16 2 C 0.13 0.76 0.82 -88.57 -0.07 0.69 16 3 C -0.14 -0.83 8.99 37.16 0.33 -0.50 16 4 O -0.37 0.05 11.21 -35.23 -0.39 -0.35 16 5 C 0.01 -0.03 2.12 -96.75 -0.20 -0.23 16 6 C 0.05 -0.55 5.67 -3.82 -0.02 -0.57 16 7 N -0.50 7.04 1.59 -115.05 -0.18 6.85 16 8 H 0.44 -5.33 7.05 -39.29 -0.28 -5.61 16 9 H 0.42 -6.81 8.45 -39.29 -0.33 -7.15 16 10 C 0.04 -0.68 4.64 -4.97 -0.02 -0.70 16 11 C -0.14 1.91 5.38 -104.29 -0.56 1.35 16 12 C -0.06 0.89 9.66 -39.63 -0.38 0.51 16 13 C -0.10 1.51 10.04 -39.49 -0.40 1.12 16 14 C -0.04 0.58 10.03 -39.63 -0.40 0.19 16 15 C -0.11 1.17 9.75 -39.25 -0.38 0.79 16 16 C 0.31 -3.10 9.76 -38.73 -0.38 -3.48 16 17 O -0.58 0.85 17.25 -57.73 -1.00 -0.14 16 18 O -0.73 4.36 12.36 -57.73 -0.71 3.64 16 19 C -0.13 -0.34 7.40 -30.08 -0.22 -0.56 16 20 C -0.16 -1.42 1.20 -159.27 -0.19 -1.61 16 21 C 0.53 9.76 7.73 36.01 0.28 10.04 16 22 O -0.68 -15.39 17.96 -20.22 -0.36 -15.75 16 23 O -0.67 -14.65 15.11 -20.22 -0.31 -14.96 16 24 C -0.13 -0.46 7.17 -30.95 -0.22 -0.68 16 25 H 0.10 1.04 6.76 -51.93 -0.35 0.68 16 26 H 0.05 0.25 8.14 -51.93 -0.42 -0.18 16 27 H 0.05 0.30 6.58 -51.93 -0.34 -0.04 16 28 H 0.05 0.20 7.18 -51.93 -0.37 -0.17 16 29 H 0.06 0.20 8.14 -51.92 -0.42 -0.22 16 30 H 0.09 0.94 7.07 -51.93 -0.37 0.57 16 31 H 0.13 -1.79 8.14 -51.93 -0.42 -2.21 16 32 H 0.15 -1.64 8.14 -51.93 -0.42 -2.06 16 33 H 0.14 -2.63 8.00 -51.93 -0.42 -3.04 16 34 H 0.17 -2.18 5.77 -51.93 -0.30 -2.48 16 35 H 0.18 -3.18 8.03 -52.49 -0.42 -3.61 16 36 H 0.17 -2.67 8.06 -52.49 -0.42 -3.09 16 37 H 0.18 -2.59 8.06 -52.48 -0.42 -3.02 16 38 H 0.18 -1.75 7.77 -52.49 -0.41 -2.16 16 39 H 0.36 -1.15 8.90 45.56 0.41 -0.75 16 40 H 0.35 -1.81 8.90 45.56 0.41 -1.40 16 41 H 0.11 0.33 7.83 -51.93 -0.41 -0.08 16 42 H 0.07 0.13 7.24 -51.93 -0.38 -0.25 16 43 H 0.08 0.30 6.52 -51.93 -0.34 -0.04 16 44 H 0.10 0.36 7.83 -51.93 -0.41 -0.04 16 Total: 0.00 -39.02 353.32 -6.99 -46.01