REAL300018577694.mol2 47 1 O -0.70 -6.76 15.35 -20.22 -0.31 -7.07 16 2 C 0.48 4.44 7.64 36.01 0.28 4.72 16 3 O -0.66 -10.96 18.00 -20.23 -0.36 -11.32 16 4 C -0.21 0.03 5.14 -27.88 -0.14 -0.12 16 5 C 0.06 -0.47 1.93 -67.71 -0.13 -0.60 16 6 H 0.15 -1.23 7.69 -51.93 -0.40 -1.63 16 7 C 0.03 -0.33 5.43 37.16 0.20 -0.13 16 8 O -0.39 2.87 9.02 -35.23 -0.32 2.56 16 9 C 0.11 -0.73 6.06 36.01 0.22 -0.51 16 10 C -0.10 0.39 5.51 -104.63 -0.58 -0.19 16 11 C -0.09 0.22 9.70 -39.58 -0.38 -0.16 16 12 C -0.12 0.22 10.05 -39.58 -0.40 -0.18 16 13 C -0.11 0.23 10.05 -39.58 -0.40 -0.17 16 14 C -0.12 0.36 10.05 -39.58 -0.40 -0.03 16 15 C -0.10 0.42 9.70 -39.59 -0.38 0.03 16 16 N -0.50 5.63 1.58 -107.98 -0.17 5.46 16 17 H 0.42 -5.46 8.14 -39.29 -0.32 -5.78 16 18 H 0.44 -3.70 6.54 -39.29 -0.26 -3.96 16 19 C 0.04 -0.64 5.13 -4.97 -0.03 -0.66 16 20 C -0.15 1.77 5.35 -104.52 -0.56 1.22 16 21 C -0.05 0.59 9.68 -39.63 -0.38 0.21 16 22 C -0.11 0.73 9.75 -39.24 -0.38 0.35 16 23 C 0.33 -1.01 9.80 -38.72 -0.38 -1.39 16 24 O -0.64 -3.47 17.25 -57.73 -1.00 -4.46 16 25 O -0.65 -3.31 17.25 -57.73 -1.00 -4.31 16 26 C -0.11 0.61 9.75 -39.25 -0.38 0.22 16 27 C -0.04 0.42 9.68 -39.63 -0.38 0.04 16 28 H 0.09 -0.04 7.77 -51.93 -0.40 -0.44 16 29 H 0.11 0.04 8.14 -51.93 -0.42 -0.38 16 30 H 0.07 -0.93 6.29 -51.93 -0.33 -1.26 16 31 H 0.09 -0.87 8.14 -51.93 -0.42 -1.29 16 32 H 0.06 -0.56 8.08 -51.93 -0.42 -0.98 16 33 H 0.07 -0.45 8.08 -51.93 -0.42 -0.87 16 34 H 0.12 -0.41 8.06 -52.48 -0.42 -0.83 16 35 H 0.13 -0.37 8.06 -52.49 -0.42 -0.79 16 36 H 0.13 -0.42 8.06 -52.48 -0.42 -0.84 16 37 H 0.13 -0.55 8.06 -52.48 -0.42 -0.98 16 38 H 0.12 -0.82 8.06 -52.48 -0.42 -1.24 16 39 H 0.15 -2.27 7.96 -51.93 -0.41 -2.69 16 40 H 0.14 -2.37 6.39 -51.93 -0.33 -2.70 16 41 H 0.17 -2.46 8.06 -52.49 -0.42 -2.89 16 42 H 0.18 -1.09 7.77 -52.49 -0.41 -1.50 16 43 H 0.34 1.03 8.90 45.56 0.41 1.43 16 44 H 0.34 0.97 8.90 45.56 0.41 1.38 16 45 H 0.18 -0.85 7.77 -52.49 -0.41 -1.26 16 46 H 0.18 -1.99 8.06 -52.49 -0.42 -2.41 16 Total: 0.00 -33.54 391.83 -8.96 -42.50