REAL300009850798.mol2 46 1 O -0.67 -19.55 12.45 -20.23 -0.25 -19.80 16 2 C 0.51 14.50 5.06 36.01 0.18 14.69 16 3 O -0.68 -21.44 17.04 -20.23 -0.34 -21.79 16 4 C -0.16 -3.70 0.51 -155.10 -0.08 -3.78 16 5 C 0.56 12.69 6.08 -10.98 -0.07 12.62 16 6 O -0.57 -13.73 14.92 5.56 0.08 -13.65 16 7 N -0.59 -11.00 2.75 -172.63 -0.47 -11.48 16 8 C 0.11 1.66 6.29 -3.66 -0.02 1.64 16 9 C -0.11 -1.33 5.20 -26.69 -0.14 -1.47 16 10 C -0.07 -0.72 0.75 -154.34 -0.12 -0.83 16 11 C -0.11 -0.65 6.41 -26.08 -0.17 -0.81 16 12 C -0.18 -1.06 2.50 -89.74 -0.22 -1.29 16 13 C 0.32 1.83 9.53 37.16 0.35 2.18 16 14 O -0.70 -12.48 17.75 -57.73 -1.02 -13.50 16 15 O -0.66 -11.43 17.78 -57.73 -1.03 -12.46 16 16 C -0.13 -1.09 6.63 -26.09 -0.17 -1.26 16 17 C -0.12 -1.73 4.90 -26.65 -0.13 -1.86 16 18 C 0.12 2.11 4.05 -3.63 -0.01 2.09 16 19 C -0.07 -1.41 4.90 -26.83 -0.13 -1.54 16 20 C -0.18 -3.25 10.78 -35.69 -0.38 -3.63 16 21 C -0.15 -2.79 10.78 -35.69 -0.38 -3.18 16 22 C -0.07 -1.58 5.69 -26.83 -0.15 -1.74 16 23 H 0.09 1.45 6.98 -51.93 -0.36 1.08 16 24 H 0.06 0.66 7.41 -51.93 -0.38 0.28 16 25 H 0.08 1.19 8.14 -51.93 -0.42 0.77 16 26 H 0.07 0.64 7.31 -51.93 -0.38 0.26 16 27 H 0.09 0.51 7.32 -51.93 -0.38 0.13 16 28 H 0.09 0.42 8.04 -51.93 -0.42 0.00 16 29 H 0.14 0.84 6.35 -51.93 -0.33 0.51 16 30 H 0.13 0.28 8.14 -51.93 -0.42 -0.14 16 31 H 0.14 0.42 7.84 -51.93 -0.41 0.01 16 32 H 0.31 4.20 6.29 45.56 0.29 4.49 16 33 H 0.34 5.59 9.20 45.56 0.42 6.01 16 34 H 0.09 0.74 7.85 -51.92 -0.41 0.34 16 35 H 0.09 0.85 8.09 -51.93 -0.42 0.43 16 36 H 0.06 0.77 8.12 -51.93 -0.42 0.35 16 37 H 0.11 2.27 5.92 -51.93 -0.31 1.97 16 38 H 0.10 2.15 3.61 -51.93 -0.19 1.96 16 39 H 0.04 0.55 8.05 -51.93 -0.42 0.13 16 40 H 0.06 1.07 6.76 -51.93 -0.35 0.72 16 41 H 0.09 1.88 7.53 -51.93 -0.39 1.49 16 42 H 0.12 1.70 8.06 -52.49 -0.42 1.27 16 43 H 0.12 1.83 8.06 -52.49 -0.42 1.41 16 44 H 0.08 1.99 7.57 -51.93 -0.39 1.59 16 45 H 0.08 1.74 7.01 -51.93 -0.36 1.37 16 Total: -1.00 -42.43 342.40 -6.84 -49.27