REAL300009850817.mol2 46 1 O -0.69 -24.01 17.00 -20.80 -0.35 -24.36 16 2 C 0.50 16.26 7.79 31.74 0.25 16.50 16 3 O -0.69 -25.03 17.99 -20.80 -0.37 -25.41 16 4 C -0.13 -3.31 9.49 -39.41 -0.37 -3.69 16 5 C -0.12 -2.45 9.37 -39.17 -0.37 -2.81 16 6 C 0.06 1.09 6.77 -38.92 -0.26 0.83 16 7 C -0.20 -2.73 8.36 -38.89 -0.33 -3.06 16 8 C -0.23 -3.06 5.35 -104.96 -0.56 -3.63 16 9 C 0.60 7.47 7.60 -12.48 -0.09 7.37 16 10 O -0.54 -8.34 16.50 5.28 0.09 -8.25 16 11 N -0.60 -5.23 2.95 -174.19 -0.51 -5.74 16 12 C 0.09 0.63 5.63 -3.89 -0.02 0.61 16 13 C -0.11 -0.61 5.18 -26.91 -0.14 -0.75 16 14 C -0.07 -0.22 0.76 -154.33 -0.12 -0.34 16 15 C -0.12 -0.39 6.78 -26.08 -0.18 -0.56 16 16 C -0.17 -0.39 2.96 -89.74 -0.27 -0.65 16 17 C 0.39 0.85 9.53 37.16 0.35 1.20 16 18 O -0.71 -9.77 16.53 -57.73 -0.95 -10.72 16 19 O -0.74 -11.06 17.78 -57.73 -1.03 -12.09 16 20 C -0.10 -0.04 6.41 -26.08 -0.17 -0.21 16 21 C -0.12 -0.43 5.25 -26.69 -0.14 -0.57 16 22 C 0.11 0.68 6.29 -3.67 -0.02 0.66 16 23 C 0.02 0.26 12.13 30.62 0.37 0.63 16 24 O -0.16 -2.61 10.10 5.95 0.06 -2.55 16 25 H 0.11 2.50 7.70 -52.48 -0.40 2.10 16 26 H 0.16 3.28 7.45 -52.48 -0.39 2.89 16 27 H 0.16 1.80 7.18 -52.49 -0.38 1.42 16 28 H 0.11 0.97 4.06 -51.93 -0.21 0.76 16 29 H 0.07 0.36 7.41 -51.93 -0.38 -0.02 16 30 H 0.08 0.41 7.30 -51.93 -0.38 0.03 16 31 H 0.08 0.54 8.14 -51.93 -0.42 0.11 16 32 H 0.09 0.15 7.85 -51.93 -0.41 -0.26 16 33 H 0.09 0.51 8.09 -51.93 -0.42 0.09 16 34 H 0.15 0.67 7.19 -51.93 -0.37 0.30 16 35 H 0.14 -0.17 8.14 -51.93 -0.42 -0.60 16 36 H 0.14 -0.17 7.84 -51.93 -0.41 -0.58 16 37 H 0.33 4.19 8.90 45.56 0.41 4.59 16 38 H 0.33 4.36 8.90 45.56 0.41 4.76 16 39 H 0.10 0.04 7.33 -51.93 -0.38 -0.34 16 40 H 0.10 -0.19 8.03 -51.92 -0.42 -0.61 16 41 H 0.08 0.12 8.12 -51.93 -0.42 -0.30 16 42 H 0.08 0.40 8.14 -51.93 -0.42 -0.02 16 43 H 0.07 0.30 8.05 -51.93 -0.42 -0.12 16 44 H 0.10 0.75 6.99 -51.93 -0.36 0.39 16 45 H 0.21 2.07 8.06 -52.49 -0.42 1.65 16 Total: -1.00 -49.56 375.41 -6.12 -55.68