REAL300009850769.mol2 47 1 C -0.12 -2.18 8.37 37.16 0.31 -1.87 16 2 C -0.08 -1.72 2.70 -154.51 -0.42 -2.14 16 3 C -0.11 -2.29 8.39 37.16 0.31 -1.97 16 4 C -0.11 -2.09 1.53 -154.51 -0.24 -2.33 16 5 C -0.12 -2.29 7.79 37.16 0.29 -2.00 16 6 C -0.12 -1.90 7.15 37.16 0.27 -1.63 16 7 C -0.19 -4.57 1.22 -156.81 -0.19 -4.76 16 8 C 0.54 16.02 5.32 36.01 0.19 16.21 16 9 O -0.67 -20.71 15.06 -20.22 -0.30 -21.01 16 10 O -0.67 -22.78 16.98 -20.23 -0.34 -23.13 16 11 C 0.58 12.64 4.69 -10.99 -0.05 12.59 16 12 O -0.54 -12.84 14.22 5.55 0.08 -12.76 16 13 N -0.62 -10.61 2.43 -172.77 -0.42 -11.03 16 14 C 0.11 1.78 4.50 -3.71 -0.02 1.76 16 15 C -0.13 -1.92 5.39 -26.45 -0.14 -2.06 16 16 C -0.15 -1.49 1.96 -90.42 -0.18 -1.67 16 17 C 0.39 3.32 8.82 37.15 0.33 3.65 16 18 O -0.73 -14.21 17.78 -57.73 -1.03 -15.24 16 19 O -0.72 -12.83 16.38 -57.73 -0.95 -13.78 16 20 C -0.11 -0.98 5.36 -26.61 -0.14 -1.12 16 21 C 0.12 1.46 6.42 -3.71 -0.02 1.44 16 22 H 0.06 1.03 8.09 -51.93 -0.42 0.61 16 23 H 0.05 0.76 7.87 -51.93 -0.41 0.35 16 24 H 0.07 1.36 5.21 -51.93 -0.27 1.09 16 25 H 0.06 1.30 5.94 -51.93 -0.31 0.99 16 26 H 0.05 0.81 8.13 -51.93 -0.42 0.38 16 27 H 0.07 1.64 7.60 -51.93 -0.39 1.25 16 28 H 0.05 0.94 7.89 -51.93 -0.41 0.53 16 29 H 0.05 0.81 8.09 -51.93 -0.42 0.39 16 30 H 0.09 2.03 4.90 -51.93 -0.25 1.78 16 31 H 0.05 0.90 5.50 -51.93 -0.29 0.61 16 32 H 0.06 0.82 7.82 -51.93 -0.41 0.41 16 33 H 0.06 0.87 7.76 -51.93 -0.40 0.47 16 34 H 0.06 0.88 7.90 -51.93 -0.41 0.47 16 35 H 0.12 2.55 3.80 -51.93 -0.20 2.35 16 36 H 0.10 1.58 7.72 -51.93 -0.40 1.18 16 37 H 0.08 1.43 8.14 -51.93 -0.42 1.01 16 38 H 0.12 1.27 7.73 -51.93 -0.40 0.87 16 39 H 0.14 0.94 8.14 -51.93 -0.42 0.52 16 40 H 0.14 0.46 8.14 -51.93 -0.42 0.03 16 41 H 0.32 5.64 8.90 45.56 0.41 6.04 16 42 H 0.32 5.35 8.90 45.56 0.41 5.76 16 43 H 0.09 0.83 8.14 -51.93 -0.42 0.40 16 44 H 0.09 0.39 8.14 -51.93 -0.42 -0.03 16 45 H 0.10 1.38 7.03 -51.93 -0.37 1.01 16 46 H 0.07 0.71 8.14 -51.93 -0.42 0.29 16 Total: -1.00 -43.52 348.13 -5.32 -48.84