REAL300018588344.mol2 47 1 O -0.68 -17.71 17.24 -20.53 -0.35 -18.06 16 2 C 0.51 11.74 8.01 34.53 0.28 12.01 16 3 O -0.68 -17.50 17.24 -20.53 -0.35 -17.86 16 4 C -0.12 -1.74 5.87 -105.04 -0.62 -2.35 16 5 C -0.07 -0.73 9.59 -39.09 -0.38 -1.10 16 6 C -0.13 -0.52 10.02 -39.70 -0.40 -0.92 16 7 C -0.13 -0.08 8.31 -39.16 -0.33 -0.41 16 8 C -0.10 -0.26 4.82 -104.95 -0.51 -0.77 16 9 C 0.01 -0.01 5.39 -104.89 -0.57 -0.58 16 10 C -0.09 0.04 9.62 -39.26 -0.38 -0.34 16 11 C -0.10 0.28 10.03 -39.63 -0.40 -0.12 16 12 C -0.11 0.60 10.04 -39.52 -0.40 0.21 16 13 C -0.14 1.16 8.96 -39.63 -0.36 0.80 16 14 C -0.13 0.92 5.84 -104.30 -0.61 0.31 16 15 C 0.05 -0.60 4.37 -4.98 -0.02 -0.62 16 16 N -0.50 8.30 1.03 -116.34 -0.12 8.18 16 17 H 0.44 -6.58 6.10 -39.29 -0.24 -6.82 16 18 H 0.42 -8.57 7.74 -39.29 -0.30 -8.88 16 19 C 0.04 -0.69 4.64 -4.98 -0.02 -0.71 16 20 C -0.14 2.10 5.38 -104.29 -0.56 1.54 16 21 C -0.06 0.99 9.66 -39.63 -0.38 0.61 16 22 C -0.11 1.65 10.04 -39.49 -0.40 1.26 16 23 C -0.04 0.63 10.03 -39.63 -0.40 0.24 16 24 C -0.11 1.29 9.75 -39.25 -0.38 0.90 16 25 C 0.31 -3.40 9.76 -38.72 -0.38 -3.78 16 26 O -0.58 1.23 17.25 -57.73 -1.00 0.24 16 27 O -0.72 4.29 12.39 -57.73 -0.72 3.58 16 28 C -0.06 -0.56 9.17 -38.80 -0.36 -0.91 16 29 H 0.13 1.53 7.64 -52.49 -0.40 1.13 16 30 H 0.12 0.11 8.06 -52.48 -0.42 -0.31 16 31 H 0.11 -0.46 6.94 -52.48 -0.36 -0.82 16 32 H 0.14 0.13 8.06 -52.48 -0.42 -0.29 16 33 H 0.13 -0.52 8.06 -52.49 -0.42 -0.94 16 34 H 0.13 -0.94 8.06 -52.49 -0.42 -1.36 16 35 H 0.11 -1.47 6.14 -52.48 -0.32 -1.79 16 36 H 0.14 -1.94 6.38 -51.93 -0.33 -2.27 16 37 H 0.15 -1.36 7.95 -51.93 -0.41 -1.77 16 38 H 0.14 -2.77 8.00 -51.93 -0.42 -3.19 16 39 H 0.17 -2.14 5.72 -51.93 -0.30 -2.44 16 40 H 0.17 -3.44 8.03 -52.49 -0.42 -3.86 16 41 H 0.17 -2.86 8.06 -52.48 -0.42 -3.28 16 42 H 0.17 -2.77 8.06 -52.48 -0.42 -3.19 16 43 H 0.18 -1.92 7.77 -52.49 -0.41 -2.33 16 44 H 0.36 -1.31 8.90 45.56 0.41 -0.90 16 45 H 0.35 -1.66 8.90 45.56 0.41 -1.25 16 46 H 0.13 1.39 7.64 -52.49 -0.40 0.99 16 Total: 0.00 -46.11 386.67 -10.30 -56.41