REAL300018632691.mol2 49 1 C 0.10 0.16 11.47 59.85 0.69 0.84 16 2 N -0.37 -2.02 4.01 -68.16 -0.27 -2.29 16 3 C 0.11 0.65 11.07 -17.22 -0.19 0.46 16 4 C -0.24 -1.14 4.89 -105.05 -0.51 -1.66 16 5 C 0.19 0.64 3.47 -25.83 -0.09 0.55 16 6 O -0.36 1.28 11.23 -35.23 -0.40 0.88 16 7 C 0.01 -0.06 2.07 -96.75 -0.20 -0.26 16 8 C 0.04 -0.73 5.67 -3.82 -0.02 -0.76 16 9 N -0.51 10.72 1.74 -115.06 -0.20 10.52 16 10 H 0.44 -9.18 8.52 -39.29 -0.33 -9.52 16 11 H 0.43 -9.33 8.64 -39.29 -0.34 -9.67 16 12 C 0.05 -1.03 5.50 -4.98 -0.03 -1.05 16 13 C -0.16 2.83 5.36 -104.52 -0.56 2.27 16 14 C -0.05 0.77 9.68 -39.63 -0.38 0.39 16 15 C -0.11 1.07 9.75 -39.25 -0.38 0.69 16 16 C 0.33 -2.13 9.80 -38.73 -0.38 -2.51 16 17 O -0.64 -1.70 17.25 -57.73 -1.00 -2.70 16 18 O -0.64 -1.69 17.25 -57.73 -1.00 -2.69 16 19 C -0.11 1.07 9.75 -39.25 -0.38 0.69 16 20 C -0.05 0.78 9.68 -39.63 -0.38 0.40 16 21 C -0.13 0.03 7.27 -28.61 -0.21 -0.18 16 22 C -0.15 -0.91 1.62 -158.28 -0.26 -1.17 16 23 C 0.53 8.73 7.82 36.01 0.28 9.01 16 24 O -0.67 -13.51 16.97 -20.23 -0.34 -13.85 16 25 O -0.68 -14.17 17.98 -20.22 -0.36 -14.53 16 26 C -0.14 0.24 7.48 -26.75 -0.20 0.04 16 27 C 0.06 0.17 10.54 -17.36 -0.18 -0.02 16 28 N -0.31 -1.73 12.58 30.63 0.39 -1.34 16 29 H 0.07 -0.03 8.14 -51.93 -0.42 -0.45 16 30 H 0.09 0.05 8.14 -51.93 -0.42 -0.38 16 31 H 0.09 0.10 8.14 -51.93 -0.42 -0.32 16 32 H 0.18 0.96 8.06 -52.49 -0.42 0.54 16 33 H 0.10 0.50 8.14 -51.93 -0.42 0.08 16 34 H 0.15 -2.81 8.14 -51.93 -0.42 -3.23 16 35 H 0.14 -2.60 8.14 -51.93 -0.42 -3.03 16 36 H 0.15 -3.52 8.08 -51.93 -0.42 -3.94 16 37 H 0.15 -3.48 8.08 -51.93 -0.42 -3.90 16 38 H 0.17 -3.14 8.06 -52.49 -0.42 -3.56 16 39 H 0.18 -1.57 7.77 -52.49 -0.41 -1.98 16 40 H 0.35 0.19 8.90 45.56 0.41 0.59 16 41 H 0.34 0.18 8.90 45.56 0.41 0.59 16 42 H 0.18 -1.57 7.77 -52.49 -0.41 -1.98 16 43 H 0.17 -3.18 8.06 -52.49 -0.42 -3.60 16 44 H 0.08 0.02 8.10 -51.93 -0.42 -0.40 16 45 H 0.11 -0.05 7.89 -51.93 -0.41 -0.46 16 46 H 0.11 -0.21 7.89 -51.93 -0.41 -0.62 16 47 H 0.07 -0.18 5.86 -51.93 -0.30 -0.48 16 48 H 0.17 -0.38 7.03 -52.48 -0.37 -0.75 16 Total: 0.00 -50.93 408.36 -7.66 -58.60