REAL300018493437.mol2 44 1 O -0.67 -5.06 16.46 -20.23 -0.33 -5.39 16 2 C 0.49 2.45 6.11 36.00 0.22 2.67 16 3 O -0.63 -7.46 18.00 -20.23 -0.36 -7.82 16 4 C -0.05 0.27 2.25 -68.87 -0.15 0.11 16 5 C -0.12 0.63 4.33 -26.73 -0.12 0.51 16 6 C -0.10 0.68 2.11 -90.40 -0.19 0.49 16 7 C -0.09 0.52 4.94 -28.17 -0.14 0.38 16 8 C -0.16 0.68 9.80 -35.90 -0.35 0.33 16 9 C -0.15 0.58 9.80 -35.85 -0.35 0.22 16 10 C -0.09 0.43 6.13 -28.13 -0.17 0.26 16 11 C -0.12 0.59 5.29 -26.52 -0.14 0.45 16 12 N -0.49 5.45 1.50 -109.22 -0.16 5.29 16 13 H 0.43 -4.83 7.98 -39.29 -0.31 -5.15 16 14 H 0.41 -6.17 6.69 -39.29 -0.26 -6.44 16 15 C 0.05 -0.51 5.21 -4.97 -0.03 -0.54 16 16 C -0.14 1.53 5.36 -104.52 -0.56 0.97 16 17 C -0.04 0.39 9.68 -39.63 -0.38 0.00 16 18 C -0.11 0.59 9.75 -39.25 -0.38 0.21 16 19 C 0.33 -1.00 9.80 -38.72 -0.38 -1.38 16 20 O -0.65 -3.33 17.25 -57.73 -1.00 -4.33 16 21 O -0.65 -3.44 17.25 -57.73 -1.00 -4.44 16 22 C -0.11 0.72 9.75 -39.25 -0.38 0.34 16 23 C -0.06 0.60 9.68 -39.63 -0.38 0.22 16 24 H 0.13 -0.84 6.59 -51.93 -0.34 -1.18 16 25 H 0.11 -0.24 8.09 -51.93 -0.42 -0.66 16 26 H 0.09 -0.46 8.14 -51.93 -0.42 -0.88 16 27 H 0.06 -0.63 6.40 -51.93 -0.33 -0.96 16 28 H 0.09 -0.35 8.06 -51.93 -0.42 -0.77 16 29 H 0.07 -0.53 7.04 -51.93 -0.37 -0.89 16 30 H 0.11 -0.44 8.06 -52.48 -0.42 -0.86 16 31 H 0.10 -0.38 8.06 -52.49 -0.42 -0.80 16 32 H 0.07 -0.40 8.14 -51.93 -0.42 -0.82 16 33 H 0.08 -0.31 8.14 -51.93 -0.42 -0.74 16 34 H 0.07 -0.39 8.14 -51.93 -0.42 -0.82 16 35 H 0.07 -0.27 8.13 -51.93 -0.42 -0.69 16 36 H 0.14 -1.84 8.05 -51.93 -0.42 -2.26 16 37 H 0.15 -1.15 6.67 -51.93 -0.35 -1.50 16 38 H 0.18 -1.72 8.06 -52.48 -0.42 -2.14 16 39 H 0.18 -0.85 7.77 -52.49 -0.41 -1.25 16 40 H 0.34 0.97 8.90 45.56 0.41 1.38 16 41 H 0.34 1.01 8.90 45.56 0.41 1.42 16 42 H 0.18 -1.07 7.77 -52.49 -0.41 -1.48 16 43 H 0.17 -2.39 8.06 -52.48 -0.42 -2.81 16 Total: 0.00 -27.97 352.33 -8.47 -36.44