REAL300009850772.mol2 47 1 O -0.68 -20.08 14.81 -20.23 -0.30 -20.38 16 2 C 0.51 14.39 4.97 36.01 0.18 14.56 16 3 O -0.68 -21.45 17.75 -20.23 -0.36 -21.81 16 4 C -0.15 -3.33 0.43 -157.42 -0.07 -3.40 16 5 C 0.58 12.23 2.64 -10.99 -0.03 12.20 16 6 O -0.55 -12.54 11.25 5.56 0.06 -12.48 16 7 N -0.61 -10.50 1.95 -172.77 -0.34 -10.84 16 8 C 0.12 1.82 3.48 -3.71 -0.01 1.80 16 9 C -0.12 -1.38 5.30 -26.61 -0.14 -1.52 16 10 C -0.14 -1.48 1.86 -90.58 -0.17 -1.65 16 11 C 0.39 3.50 9.01 37.16 0.33 3.83 16 12 O -0.71 -12.17 14.55 -57.73 -0.84 -13.01 16 13 O -0.75 -14.20 17.78 -57.73 -1.03 -15.22 16 14 C -0.14 -1.81 5.21 -26.61 -0.14 -1.95 16 15 C 0.11 1.72 6.44 -3.71 -0.02 1.70 16 16 C -0.09 -1.77 3.74 -27.43 -0.10 -1.88 16 17 C -0.13 -2.01 5.06 -25.61 -0.13 -2.14 16 18 C -0.14 -2.25 5.27 -27.44 -0.14 -2.39 16 19 C -0.11 -1.77 5.61 -27.35 -0.15 -1.92 16 20 C -0.16 -3.07 5.16 -29.60 -0.15 -3.22 16 21 C -0.07 -1.49 4.16 -29.60 -0.12 -1.61 16 22 H 0.06 0.77 6.77 -51.93 -0.35 0.42 16 23 H 0.12 2.22 2.89 -51.93 -0.15 2.07 16 24 H 0.08 0.70 8.14 -51.93 -0.42 0.28 16 25 H 0.11 1.58 7.23 -51.93 -0.38 1.21 16 26 H 0.12 1.23 8.03 -51.93 -0.42 0.81 16 27 H 0.14 0.96 8.14 -51.93 -0.42 0.53 16 28 H 0.14 0.65 8.14 -51.93 -0.42 0.23 16 29 H 0.32 5.07 8.90 45.56 0.41 5.48 16 30 H 0.32 5.44 8.90 45.56 0.41 5.85 16 31 H 0.07 1.06 8.14 -51.93 -0.42 0.63 16 32 H 0.11 1.55 5.86 -51.93 -0.30 1.25 16 33 H 0.09 1.55 7.00 -51.93 -0.36 1.18 16 34 H 0.06 0.84 8.14 -51.93 -0.42 0.42 16 35 H 0.06 1.20 5.75 -51.93 -0.30 0.90 16 36 H 0.07 1.26 6.63 -51.93 -0.34 0.92 16 37 H 0.05 0.74 8.14 -51.93 -0.42 0.32 16 38 H 0.07 0.98 4.42 -51.93 -0.23 0.75 16 39 H 0.05 0.69 8.14 -51.93 -0.42 0.26 16 40 H 0.08 1.49 4.10 -51.93 -0.21 1.28 16 41 H 0.06 0.90 6.98 -51.93 -0.36 0.53 16 42 H 0.05 0.75 8.14 -51.93 -0.42 0.32 16 43 H 0.04 0.75 8.14 -51.93 -0.42 0.33 16 44 H 0.12 2.52 4.23 -54.91 -0.23 2.29 16 45 H 0.06 1.22 7.47 -51.93 -0.39 0.83 16 46 H 0.05 1.29 7.96 -51.93 -0.41 0.87 16 Total: -1.00 -40.24 322.83 -6.25 -46.49