REAL300009850825.mol2 54 1 C -0.12 -2.40 7.04 37.16 0.26 -2.14 16 2 C -0.12 -2.67 0.77 -156.81 -0.12 -2.80 16 3 C -0.11 -2.31 8.20 37.16 0.30 -2.00 16 4 C 0.51 15.75 6.58 36.00 0.24 15.99 16 5 O -0.68 -23.33 16.00 -20.22 -0.32 -23.65 16 6 O -0.69 -23.72 17.67 -20.23 -0.36 -24.08 16 7 C 0.01 0.17 4.39 -104.53 -0.46 -0.29 16 8 C -0.09 -1.81 7.90 -39.64 -0.31 -2.12 16 9 C -0.07 -1.22 9.63 -39.19 -0.38 -1.60 16 10 C -0.16 -2.55 5.17 -104.96 -0.54 -3.09 16 11 C 0.57 8.35 7.33 -12.33 -0.09 8.26 16 12 O -0.54 -9.78 16.31 5.32 0.09 -9.69 16 13 N -0.61 -5.88 2.94 -173.78 -0.51 -6.40 16 14 C 0.11 0.81 6.29 -3.66 -0.02 0.79 16 15 C -0.11 -0.52 5.20 -26.69 -0.14 -0.66 16 16 C -0.07 -0.19 0.76 -154.25 -0.12 -0.31 16 17 C -0.11 0.00 6.42 -26.08 -0.17 -0.17 16 18 C -0.18 -0.14 2.48 -89.74 -0.22 -0.36 16 19 C 0.32 0.44 9.52 37.16 0.35 0.79 16 20 O -0.70 -9.87 17.75 -57.73 -1.02 -10.90 16 21 O -0.64 -9.05 17.78 -57.73 -1.03 -10.08 16 22 C -0.13 -0.27 6.56 -26.00 -0.17 -0.44 16 23 C -0.12 -0.50 5.26 -26.69 -0.14 -0.64 16 24 C 0.10 0.62 4.78 -3.67 -0.02 0.60 16 25 C -0.10 -1.40 7.35 -39.19 -0.29 -1.69 16 26 C -0.14 -2.38 8.96 -39.64 -0.36 -2.73 16 27 H 0.04 0.69 7.50 -51.93 -0.39 0.30 16 28 H 0.06 1.27 8.09 -51.93 -0.42 0.85 16 29 H 0.05 0.98 7.50 -51.93 -0.39 0.59 16 30 H 0.05 0.97 7.37 -51.93 -0.38 0.59 16 31 H 0.06 1.30 8.09 -51.93 -0.42 0.88 16 32 H 0.04 0.69 8.14 -51.93 -0.42 0.27 16 33 H 0.12 2.72 7.50 -52.49 -0.39 2.32 16 34 H 0.12 2.09 8.05 -52.49 -0.42 1.66 16 35 H 0.10 0.93 6.97 -51.93 -0.36 0.56 16 36 H 0.07 0.35 7.42 -51.93 -0.39 -0.03 16 37 H 0.08 0.50 8.14 -51.93 -0.42 0.08 16 38 H 0.08 0.24 7.31 -51.93 -0.38 -0.14 16 39 H 0.09 0.00 7.32 -51.93 -0.38 -0.38 16 40 H 0.10 -0.16 8.04 -51.93 -0.42 -0.58 16 41 H 0.14 0.19 6.44 -51.93 -0.33 -0.15 16 42 H 0.13 -0.23 8.14 -51.93 -0.42 -0.65 16 43 H 0.13 -0.19 7.88 -51.93 -0.41 -0.60 16 44 H 0.30 2.94 6.22 45.56 0.28 3.22 16 45 H 0.34 4.56 9.20 45.56 0.42 4.98 16 46 H 0.10 0.12 7.87 -51.93 -0.41 -0.29 16 47 H 0.09 0.32 8.04 -51.93 -0.42 -0.10 16 48 H 0.08 0.18 8.12 -51.93 -0.42 -0.24 16 49 H 0.08 0.46 8.14 -51.93 -0.42 0.04 16 50 H 0.11 0.88 4.55 -51.93 -0.24 0.65 16 51 H 0.07 0.31 8.05 -51.93 -0.42 -0.11 16 52 H 0.12 1.30 6.50 -52.49 -0.34 0.96 16 53 H 0.13 1.89 5.87 -52.49 -0.31 1.59 16 Total: -1.00 -48.54 411.50 -8.37 -56.91