REAL300019828760.mol2 56 1 C 0.09 1.52 10.27 59.85 0.61 2.14 16 2 N -0.49 -9.60 3.10 -124.40 -0.39 -9.99 16 3 C 0.53 9.88 6.85 -10.98 -0.08 9.80 16 4 O -0.51 -9.76 16.28 5.56 0.09 -9.67 16 5 C 0.12 2.15 1.42 -69.08 -0.10 2.05 16 6 C 0.29 4.93 9.17 37.16 0.34 5.27 16 7 O -0.50 -10.83 13.34 -59.50 -0.79 -11.63 16 8 C 0.15 2.84 1.56 -89.97 -0.14 2.70 16 9 C -0.14 -2.27 7.78 37.16 0.29 -1.98 16 10 C -0.16 -2.94 7.77 37.16 0.29 -2.65 16 11 C 0.16 2.99 1.57 -89.97 -0.14 2.85 16 12 C -0.14 -2.23 7.78 37.16 0.29 -1.94 16 13 C -0.16 -2.75 7.79 37.16 0.29 -2.46 16 14 O -0.56 -12.27 14.24 -59.50 -0.85 -13.12 16 15 N -0.68 -11.76 4.33 -59.86 -0.26 -12.02 16 16 C 0.67 12.41 8.01 54.05 0.43 12.84 16 17 O -0.56 -11.79 11.54 -19.29 -0.22 -12.01 16 18 O -0.36 -5.92 9.94 -40.31 -0.40 -6.32 16 19 C 0.14 1.87 1.13 -90.62 -0.10 1.77 16 20 C -0.18 -2.45 8.37 37.16 0.31 -2.14 16 21 C -0.14 -1.41 8.85 37.16 0.33 -1.08 16 22 C -0.18 -2.54 8.37 37.16 0.31 -2.23 16 23 C 0.26 5.91 7.99 -320.42 -2.56 3.35 16 24 N -0.40 -9.43 6.62 30.09 0.20 -9.23 16 25 N -0.15 -3.90 13.46 60.35 0.81 -3.09 16 26 N -0.16 -4.34 13.46 60.35 0.81 -3.53 16 27 N -0.38 -9.38 11.76 30.09 0.35 -9.03 16 28 H 0.06 0.90 8.14 -51.92 -0.42 0.47 16 29 H 0.08 1.14 7.65 -51.93 -0.40 0.74 16 30 H 0.09 1.50 7.55 -51.93 -0.39 1.11 16 31 H 0.18 4.02 5.63 -51.93 -0.29 3.73 16 32 H 0.12 1.48 8.14 -51.93 -0.42 1.05 16 33 H 0.15 2.69 5.87 -51.93 -0.30 2.38 16 34 H 0.06 0.76 6.90 -51.93 -0.36 0.41 16 35 H 0.06 0.94 8.14 -51.93 -0.42 0.51 16 36 H 0.06 0.99 6.72 -51.93 -0.35 0.64 16 37 H 0.09 1.95 6.73 -51.93 -0.35 1.60 16 38 H 0.05 1.04 8.14 -51.92 -0.42 0.62 16 39 H 0.05 0.83 6.91 -51.93 -0.36 0.47 16 40 H 0.06 0.90 8.14 -51.93 -0.42 0.48 16 41 H 0.06 0.73 7.00 -51.93 -0.36 0.36 16 42 H 0.06 0.98 6.60 -51.93 -0.34 0.64 16 43 H 0.08 1.62 6.62 -51.92 -0.34 1.27 16 44 H 0.05 0.82 7.01 -51.93 -0.36 0.45 16 45 H 0.06 0.95 8.14 -51.93 -0.42 0.53 16 46 H 0.41 6.15 8.71 -40.82 -0.36 5.79 16 47 H 0.06 0.76 8.14 -51.93 -0.42 0.33 16 48 H 0.07 0.74 8.14 -51.93 -0.42 0.32 16 49 H 0.09 1.46 5.88 -51.93 -0.31 1.15 16 50 H 0.07 0.67 8.14 -51.93 -0.42 0.24 16 51 H 0.08 0.62 8.14 -51.93 -0.42 0.20 16 52 H 0.07 0.63 8.14 -51.93 -0.42 0.21 16 53 H 0.09 1.54 5.88 -51.93 -0.31 1.24 16 54 H 0.07 0.75 8.14 -51.93 -0.42 0.33 16 55 H 0.06 0.84 8.14 -51.93 -0.42 0.41 16 Total: -1.00 -32.68 430.29 -4.46 -37.13