REAL300009850859.mol2 46 1 O -0.67 -23.41 17.40 -26.63 -0.46 -23.88 16 2 C 0.50 16.05 8.13 36.00 0.29 16.34 16 3 O -0.69 -23.81 18.00 -20.22 -0.36 -24.17 16 4 C -0.01 -0.20 5.30 36.00 0.19 -0.01 16 5 O -0.28 -6.38 9.67 -39.30 -0.38 -6.76 16 6 C 0.13 2.40 6.68 -39.27 -0.26 2.14 16 7 C -0.19 -2.99 9.03 -39.35 -0.36 -3.35 16 8 C -0.09 -1.12 10.03 -39.67 -0.40 -1.52 16 9 C -0.11 -1.56 9.59 -39.17 -0.38 -1.93 16 10 C -0.10 -1.42 5.67 -104.98 -0.59 -2.01 16 11 C 0.58 7.91 7.64 -12.32 -0.09 7.82 16 12 O -0.54 -8.67 16.94 5.32 0.09 -8.58 16 13 N -0.62 -6.21 3.34 -171.88 -0.57 -6.78 16 14 C 0.09 0.78 5.01 -2.35 -0.01 0.76 16 15 C -0.11 -0.63 6.26 -25.11 -0.16 -0.78 16 16 C -0.10 -0.39 0.94 -154.37 -0.14 -0.53 16 17 C -0.09 -0.13 6.87 -26.46 -0.18 -0.31 16 18 C -0.17 -0.41 3.36 -89.58 -0.30 -0.71 16 19 C 0.39 0.96 9.36 37.16 0.35 1.31 16 20 O -0.74 -11.20 17.78 -57.73 -1.03 -12.23 16 21 O -0.71 -9.59 16.90 -57.73 -0.98 -10.56 16 22 C -0.11 -0.40 6.78 -26.33 -0.18 -0.58 16 23 C 0.13 0.88 6.38 -3.52 -0.02 0.85 16 24 C -0.14 -2.12 8.02 -39.02 -0.31 -2.44 16 25 H 0.06 1.34 7.66 -51.93 -0.40 0.94 16 26 H 0.06 1.34 7.66 -51.92 -0.40 0.95 16 27 H 0.13 2.01 6.28 -52.49 -0.33 1.69 16 28 H 0.13 1.31 8.06 -52.49 -0.42 0.88 16 29 H 0.13 1.61 7.84 -52.49 -0.41 1.20 16 30 H 0.09 0.88 6.86 -51.93 -0.36 0.53 16 31 H 0.08 0.67 6.81 -51.93 -0.35 0.32 16 32 H 0.09 0.42 8.06 -51.93 -0.42 0.00 16 33 H 0.09 0.52 8.14 -51.93 -0.42 0.10 16 34 H 0.10 -0.07 7.97 -51.93 -0.41 -0.48 16 35 H 0.10 0.14 8.12 -51.93 -0.42 -0.28 16 36 H 0.14 0.54 8.14 -51.93 -0.42 0.12 16 37 H 0.14 -0.08 8.14 -51.93 -0.42 -0.50 16 38 H 0.14 -0.15 7.88 -51.93 -0.41 -0.56 16 39 H 0.33 4.39 8.90 45.56 0.41 4.79 16 40 H 0.33 4.09 8.90 45.56 0.41 4.49 16 41 H 0.09 0.55 8.12 -51.93 -0.42 0.13 16 42 H 0.10 0.24 7.92 -51.93 -0.41 -0.17 16 43 H 0.08 0.59 8.09 -51.93 -0.42 0.17 16 44 H 0.07 0.46 7.86 -51.93 -0.41 0.05 16 45 H 0.14 1.97 4.61 -52.49 -0.24 1.73 16 Total: -1.00 -48.88 377.08 -7.26 -56.14