REAL300019970580.mol2 52 1 C -0.14 -1.46 7.78 37.16 0.29 -1.17 16 2 C 0.15 1.71 1.57 -89.97 -0.14 1.57 16 3 C -0.15 -1.37 7.79 37.16 0.29 -1.08 16 4 O -0.52 -8.08 14.24 -59.50 -0.85 -8.93 16 5 C 0.28 1.91 7.55 -24.58 -0.19 1.72 16 6 C -0.17 -0.72 6.47 -24.90 -0.16 -0.88 16 7 C 0.10 0.51 4.86 -3.07 -0.01 0.50 16 8 N -0.62 -6.41 3.33 -175.86 -0.59 -7.00 16 9 C 0.58 9.21 7.81 -12.32 -0.10 9.11 16 10 O -0.50 -10.41 16.60 5.32 0.09 -10.32 16 11 C -0.11 -1.70 5.87 -104.99 -0.62 -2.32 16 12 C -0.18 -2.05 8.61 -39.16 -0.34 -2.39 16 13 C -0.10 -1.08 10.02 -39.67 -0.40 -1.47 16 14 C -0.16 -2.22 9.93 -39.30 -0.39 -2.61 16 15 C 0.21 3.91 6.48 -83.77 -0.54 3.36 16 16 N -0.63 -13.47 5.50 -11.39 -0.06 -13.53 16 17 C 0.28 7.84 8.75 -321.05 -2.81 5.03 16 18 N -0.40 -11.89 9.57 30.00 0.29 -11.60 16 19 N -0.18 -5.72 13.45 60.35 0.81 -4.91 16 20 N -0.18 -5.74 13.45 60.35 0.81 -4.93 16 21 N -0.41 -12.17 12.48 30.00 0.37 -11.80 16 22 C -0.08 -1.69 8.39 -38.97 -0.33 -2.01 16 23 C 0.07 0.70 6.94 -2.53 -0.02 0.68 16 24 O -0.54 -7.55 13.65 -59.50 -0.81 -8.36 16 25 C 0.15 1.69 1.56 -89.98 -0.14 1.55 16 26 C -0.14 -1.38 7.78 37.16 0.29 -1.09 16 27 C -0.15 -1.25 7.77 37.15 0.29 -0.96 16 28 H 0.07 0.66 8.14 -51.93 -0.42 0.24 16 29 H 0.06 0.45 7.00 -51.93 -0.36 0.09 16 30 H 0.07 0.74 6.60 -51.93 -0.34 0.40 16 31 H 0.06 0.52 6.62 -51.93 -0.34 0.18 16 32 H 0.06 0.41 7.01 -51.93 -0.36 0.05 16 33 H 0.06 0.60 8.14 -51.93 -0.42 0.18 16 34 H 0.16 0.59 8.14 -51.93 -0.42 0.16 16 35 H 0.13 0.72 7.97 -51.93 -0.41 0.31 16 36 H 0.12 0.20 8.14 -51.93 -0.42 -0.22 16 37 H 0.10 0.37 6.75 -51.93 -0.35 0.02 16 38 H 0.11 0.50 6.74 -51.93 -0.35 0.15 16 39 H 0.15 1.02 2.74 -57.96 -0.16 0.86 16 40 H 0.12 0.94 8.06 -52.49 -0.42 0.52 16 41 H 0.12 1.43 8.06 -52.49 -0.42 1.00 16 42 H 0.41 7.47 8.90 -40.82 -0.36 7.11 16 43 H 0.16 4.09 5.43 -52.49 -0.28 3.80 16 44 H 0.11 1.13 8.14 -51.93 -0.42 0.71 16 45 H 0.12 1.25 7.98 -51.93 -0.41 0.84 16 46 H 0.06 0.43 6.90 -51.93 -0.36 0.07 16 47 H 0.06 0.57 8.14 -51.93 -0.42 0.15 16 48 H 0.07 0.71 6.72 -51.92 -0.35 0.36 16 49 H 0.06 0.48 6.73 -51.92 -0.35 0.13 16 50 H 0.06 0.50 8.14 -51.92 -0.42 0.07 16 51 H 0.06 0.38 6.91 -51.93 -0.36 0.02 16 Total: -1.00 -42.70 402.32 -7.86 -50.56