REAL300018500229.mol2 49 1 O -0.70 -6.06 14.96 -20.23 -0.30 -6.37 16 2 C 0.48 3.79 7.90 36.01 0.28 4.07 16 3 O -0.66 -9.96 18.00 -20.23 -0.36 -10.32 16 4 C -0.22 0.41 4.89 -27.88 -0.14 0.28 16 5 C 0.05 -0.41 1.98 -67.71 -0.13 -0.55 16 6 H 0.14 -0.93 6.21 -51.93 -0.32 -1.25 16 7 C -0.15 1.50 4.03 -26.73 -0.11 1.39 16 8 C -0.10 0.97 2.07 -90.62 -0.19 0.78 16 9 C -0.13 0.94 4.99 -26.73 -0.13 0.80 16 10 C -0.12 0.74 5.92 -26.73 -0.16 0.58 16 11 C -0.12 0.68 5.92 -26.73 -0.16 0.52 16 12 C -0.12 0.81 5.92 -26.75 -0.16 0.65 16 13 C -0.11 0.95 5.20 -26.76 -0.14 0.81 16 14 N -0.50 5.70 1.72 -107.98 -0.19 5.52 16 15 H 0.44 -3.86 6.48 -39.29 -0.25 -4.12 16 16 H 0.41 -6.21 6.61 -39.30 -0.26 -6.47 16 17 C 0.03 -0.42 4.67 -4.98 -0.02 -0.44 16 18 C -0.14 1.61 5.35 -104.52 -0.56 1.05 16 19 C -0.04 0.39 9.68 -39.63 -0.38 0.00 16 20 C -0.10 0.56 9.75 -39.25 -0.38 0.18 16 21 C 0.33 -0.99 9.80 -38.72 -0.38 -1.37 16 22 O -0.65 -3.27 17.25 -57.73 -1.00 -4.26 16 23 O -0.64 -3.48 17.25 -57.73 -1.00 -4.48 16 24 C -0.11 0.74 9.75 -39.25 -0.38 0.36 16 25 C -0.06 0.63 9.68 -39.63 -0.38 0.24 16 26 H 0.08 -0.38 6.00 -51.93 -0.31 -0.69 16 27 H 0.11 -0.11 8.14 -51.93 -0.42 -0.53 16 28 H 0.08 -1.04 6.08 -51.93 -0.32 -1.36 16 29 H 0.11 -0.97 8.14 -51.93 -0.42 -1.39 16 30 H 0.06 -0.77 6.38 -51.93 -0.33 -1.10 16 31 H 0.07 -0.46 8.14 -51.93 -0.42 -0.89 16 32 H 0.07 -0.51 6.50 -51.93 -0.34 -0.84 16 33 H 0.07 -0.33 8.14 -51.93 -0.42 -0.75 16 34 H 0.06 -0.41 8.14 -51.93 -0.42 -0.83 16 35 H 0.06 -0.30 8.14 -51.92 -0.42 -0.72 16 36 H 0.06 -0.30 8.14 -51.93 -0.42 -0.72 16 37 H 0.06 -0.44 8.14 -51.93 -0.42 -0.86 16 38 H 0.07 -0.38 8.14 -51.93 -0.42 -0.80 16 39 H 0.07 -0.50 8.14 -51.93 -0.42 -0.92 16 40 H 0.06 -0.60 8.14 -51.93 -0.42 -1.02 16 41 H 0.14 -2.16 5.90 -51.93 -0.31 -2.47 16 42 H 0.15 -1.59 6.21 -51.93 -0.32 -1.92 16 43 H 0.18 -1.63 8.06 -52.49 -0.42 -2.06 16 44 H 0.18 -0.77 7.77 -52.49 -0.41 -1.18 16 45 H 0.34 0.95 8.90 45.56 0.41 1.35 16 46 H 0.34 1.02 8.90 45.56 0.41 1.43 16 47 H 0.18 -1.13 7.77 -52.48 -0.41 -1.54 16 48 H 0.17 -2.50 8.06 -52.49 -0.42 -2.92 16 Total: 0.00 -30.50 372.08 -9.02 -39.52