REAL300009850826.mol2 48 1 O -0.68 -20.33 12.62 -20.22 -0.26 -20.59 16 2 C 0.51 14.80 5.04 36.01 0.18 14.98 16 3 O -0.68 -22.03 17.12 -20.23 -0.35 -22.38 16 4 C -0.16 -3.70 0.47 -155.15 -0.07 -3.77 16 5 C 0.56 12.73 5.86 -10.98 -0.06 12.66 16 6 O -0.57 -13.76 14.83 5.55 0.08 -13.68 16 7 N -0.60 -11.18 2.75 -172.69 -0.47 -11.65 16 8 C 0.11 1.66 6.30 -3.66 -0.02 1.64 16 9 C -0.11 -1.40 5.25 -26.69 -0.14 -1.54 16 10 C -0.07 -0.77 0.75 -154.34 -0.12 -0.89 16 11 C -0.10 -0.66 6.41 -26.08 -0.17 -0.83 16 12 C -0.17 -1.32 3.12 -89.74 -0.28 -1.60 16 13 C 0.39 2.51 9.38 37.16 0.35 2.86 16 14 O -0.76 -13.79 17.78 -57.73 -1.03 -14.81 16 15 O -0.70 -12.24 17.00 -57.73 -0.98 -13.22 16 16 C -0.12 -1.20 6.70 -26.08 -0.17 -1.37 16 17 C -0.11 -1.81 4.88 -26.70 -0.13 -1.94 16 18 C 0.12 2.17 3.75 -3.68 -0.01 2.16 16 19 C -0.10 -1.98 5.02 -24.74 -0.12 -2.10 16 20 C -0.12 -2.09 6.61 -25.07 -0.17 -2.25 16 21 C -0.12 -2.10 6.80 -25.61 -0.17 -2.28 16 22 C -0.09 -2.09 5.70 -25.61 -0.15 -2.24 16 23 H 0.09 1.42 6.98 -51.93 -0.36 1.06 16 24 H 0.06 0.64 8.05 -51.93 -0.42 0.23 16 25 H 0.08 1.20 8.14 -51.93 -0.42 0.77 16 26 H 0.07 0.59 8.12 -51.93 -0.42 0.17 16 27 H 0.09 0.33 8.03 -51.93 -0.42 -0.08 16 28 H 0.10 0.62 7.33 -51.93 -0.38 0.24 16 29 H 0.14 1.36 7.60 -51.93 -0.39 0.97 16 30 H 0.13 0.38 8.14 -51.93 -0.42 -0.04 16 31 H 0.13 0.36 7.84 -51.93 -0.41 -0.04 16 32 H 0.32 5.30 8.90 45.56 0.41 5.71 16 33 H 0.33 5.23 8.90 45.56 0.41 5.63 16 34 H 0.09 1.19 8.09 -51.93 -0.42 0.77 16 35 H 0.09 0.71 7.85 -51.93 -0.41 0.30 16 36 H 0.06 0.92 7.30 -51.93 -0.38 0.55 16 37 H 0.11 2.45 5.95 -51.93 -0.31 2.14 16 38 H 0.10 2.25 3.48 -51.93 -0.18 2.07 16 39 H 0.04 0.59 7.42 -51.93 -0.39 0.20 16 40 H 0.06 1.08 6.08 -51.93 -0.32 0.77 16 41 H 0.08 1.74 7.74 -51.93 -0.40 1.34 16 42 H 0.06 0.87 8.14 -51.93 -0.42 0.45 16 43 H 0.06 0.96 8.14 -51.93 -0.42 0.54 16 44 H 0.06 0.96 8.14 -51.93 -0.42 0.54 16 45 H 0.06 0.95 8.14 -51.93 -0.42 0.53 16 46 H 0.07 1.70 7.52 -51.93 -0.39 1.31 16 47 H 0.07 1.61 6.89 -51.93 -0.36 1.26 16 Total: -1.00 -43.15 353.08 -7.02 -50.17