REAL300009850818.mol2 46 1 O -0.65 -22.46 17.77 -20.67 -0.37 -22.83 16 2 C 0.56 18.09 8.03 34.07 0.27 18.37 16 3 O -0.66 -23.25 18.01 -23.81 -0.43 -23.67 16 4 C -0.01 -0.29 7.17 -36.34 -0.26 -0.55 16 5 C -0.20 -4.59 10.64 -39.13 -0.42 -5.01 16 6 C -0.16 -3.00 10.88 -39.07 -0.42 -3.42 16 7 C -0.06 -1.17 7.02 -36.33 -0.25 -1.42 16 8 C 0.04 0.64 9.64 -37.38 -0.36 0.28 16 9 C -0.24 -3.46 9.01 -37.35 -0.34 -3.79 16 10 C 0.56 7.41 7.61 -12.93 -0.10 7.31 16 11 O -0.55 -8.73 15.66 5.19 0.08 -8.65 16 12 N -0.61 -5.76 2.95 -174.56 -0.51 -6.28 16 13 C 0.10 0.77 6.18 -3.89 -0.02 0.75 16 14 C -0.12 -0.71 5.18 -26.91 -0.14 -0.85 16 15 C -0.07 -0.27 0.76 -154.33 -0.12 -0.39 16 16 C -0.12 -0.46 6.78 -26.08 -0.18 -0.64 16 17 C -0.17 -0.47 2.96 -89.73 -0.27 -0.73 16 18 C 0.39 0.99 9.53 37.16 0.35 1.34 16 19 O -0.71 -10.04 16.53 -57.73 -0.95 -10.99 16 20 O -0.74 -11.32 17.78 -57.73 -1.03 -12.35 16 21 C -0.10 -0.09 6.41 -26.07 -0.17 -0.26 16 22 C -0.12 -0.52 5.25 -26.69 -0.14 -0.66 16 23 C 0.11 0.77 6.29 -3.67 -0.02 0.75 16 24 O -0.14 -3.40 10.28 -1.80 -0.02 -3.41 16 25 H 0.15 3.25 8.06 -52.48 -0.42 2.83 16 26 H 0.15 2.12 8.06 -52.49 -0.42 1.70 16 27 H 0.15 2.06 7.53 -52.49 -0.40 1.66 16 28 H 0.14 1.94 5.56 -52.49 -0.29 1.65 16 29 H 0.10 0.92 5.26 -51.93 -0.27 0.64 16 30 H 0.07 0.41 7.41 -51.93 -0.38 0.03 16 31 H 0.08 0.47 7.30 -51.93 -0.38 0.09 16 32 H 0.08 0.62 8.14 -51.93 -0.42 0.20 16 33 H 0.09 0.20 7.85 -51.93 -0.41 -0.20 16 34 H 0.09 0.57 8.09 -51.93 -0.42 0.15 16 35 H 0.15 0.74 7.19 -51.93 -0.37 0.36 16 36 H 0.14 -0.13 8.14 -51.93 -0.42 -0.56 16 37 H 0.14 -0.12 7.84 -51.93 -0.41 -0.52 16 38 H 0.33 4.31 8.90 45.56 0.41 4.72 16 39 H 0.33 4.46 8.90 45.56 0.41 4.86 16 40 H 0.10 0.08 7.33 -51.93 -0.38 -0.30 16 41 H 0.10 -0.15 8.03 -51.93 -0.42 -0.56 16 42 H 0.08 0.17 8.12 -51.93 -0.42 -0.25 16 43 H 0.08 0.47 8.14 -51.93 -0.42 0.05 16 44 H 0.07 0.33 8.05 -51.93 -0.42 -0.09 16 45 H 0.09 0.82 7.00 -51.93 -0.36 0.46 16 Total: -1.00 -47.76 379.25 -6.73 -54.48