REAL300009850797.mol2 46 1 O -0.67 -23.04 17.83 -20.22 -0.36 -23.40 16 2 C 0.52 16.00 5.95 36.01 0.21 16.21 16 3 O -0.66 -21.63 16.40 -26.42 -0.43 -22.06 16 4 C 0.02 0.41 0.60 -92.14 -0.06 0.36 16 5 C 0.53 12.26 5.97 -10.98 -0.07 12.19 16 6 O -0.54 -13.47 14.94 5.56 0.08 -13.39 16 7 N -0.61 -11.18 2.95 -172.97 -0.51 -11.69 16 8 C 0.10 1.72 5.34 -3.91 -0.02 1.70 16 9 C -0.12 -1.65 5.23 -26.94 -0.14 -1.79 16 10 C -0.07 -0.72 0.76 -154.33 -0.12 -0.84 16 11 C -0.13 -1.10 6.78 -26.09 -0.18 -1.28 16 12 C -0.17 -1.13 3.39 -89.74 -0.30 -1.44 16 13 C 0.39 2.22 9.38 37.16 0.35 2.57 16 14 O -0.74 -12.84 17.78 -57.73 -1.03 -13.86 16 15 O -0.72 -11.97 16.65 -57.73 -0.96 -12.93 16 16 C -0.10 -0.55 6.42 -26.07 -0.17 -0.72 16 17 C -0.11 -1.36 5.20 -26.69 -0.14 -1.49 16 18 C 0.11 1.58 6.30 -3.66 -0.02 1.55 16 19 C -0.12 -2.60 6.04 -25.16 -0.15 -2.75 16 20 C -0.15 -2.57 7.09 -25.17 -0.18 -2.75 16 21 C 0.03 0.57 7.28 37.93 0.28 0.84 16 22 O -0.33 -7.29 8.13 -54.29 -0.44 -7.73 16 23 H 0.13 2.84 3.52 -51.93 -0.18 2.66 16 24 H 0.06 0.77 8.05 -51.93 -0.42 0.35 16 25 H 0.08 0.87 8.12 -51.93 -0.42 0.45 16 26 H 0.08 1.43 8.14 -51.93 -0.42 1.00 16 27 H 0.09 0.91 8.09 -51.93 -0.42 0.49 16 28 H 0.09 0.71 7.85 -51.93 -0.41 0.31 16 29 H 0.15 1.22 6.95 -51.93 -0.36 0.86 16 30 H 0.14 0.40 7.85 -51.93 -0.41 -0.01 16 31 H 0.14 0.20 8.14 -51.93 -0.42 -0.22 16 32 H 0.32 5.06 8.90 45.56 0.41 5.46 16 33 H 0.32 4.93 8.90 45.56 0.41 5.33 16 34 H 0.10 0.35 8.03 -51.93 -0.42 -0.07 16 35 H 0.10 0.49 7.33 -51.92 -0.38 0.11 16 36 H 0.08 0.73 7.30 -51.93 -0.38 0.35 16 37 H 0.08 1.15 8.14 -51.93 -0.42 0.73 16 38 H 0.06 0.68 7.42 -51.93 -0.39 0.30 16 39 H 0.09 1.46 6.97 -51.93 -0.36 1.10 16 40 H 0.08 1.77 7.87 -51.93 -0.41 1.36 16 41 H 0.09 2.04 6.81 -51.93 -0.35 1.68 16 42 H 0.07 1.09 8.14 -51.93 -0.42 0.67 16 43 H 0.07 1.04 8.14 -51.93 -0.42 0.62 16 44 H 0.09 1.21 8.14 -51.93 -0.42 0.79 16 45 H 0.05 0.76 7.93 -51.93 -0.41 0.34 16 Total: -1.00 -46.24 353.16 -6.47 -52.71