REAL300018465683.mol2 43 1 O -0.69 -23.22 17.24 -20.58 -0.35 -23.58 16 2 C 0.52 16.82 8.00 34.35 0.27 17.10 16 3 O -0.66 -23.19 16.03 -27.60 -0.44 -23.64 16 4 C -0.07 -1.89 5.88 -104.92 -0.62 -2.51 16 5 C -0.14 -2.91 8.86 -38.89 -0.34 -3.25 16 6 C 0.20 3.11 6.65 -83.79 -0.56 2.55 16 7 N -0.75 -7.52 5.73 -59.83 -0.34 -7.86 16 8 C 0.17 1.32 5.03 -5.20 -0.03 1.29 16 9 C -0.09 -0.48 5.25 -104.53 -0.55 -1.03 16 10 C -0.05 -0.27 9.68 -39.63 -0.38 -0.65 16 11 C -0.11 -0.73 9.75 -39.25 -0.38 -1.11 16 12 C 0.33 3.01 9.80 -38.73 -0.38 2.63 16 13 O -0.68 -10.72 17.25 -57.73 -1.00 -11.71 16 14 O -0.68 -10.72 17.25 -57.73 -1.00 -11.71 16 15 C -0.11 -0.73 9.75 -39.25 -0.38 -1.11 16 16 C -0.06 -0.27 9.68 -39.63 -0.38 -0.65 16 17 C -0.18 -2.88 9.81 -39.19 -0.38 -3.27 16 18 C 0.07 1.47 6.70 -39.20 -0.26 1.21 16 19 C 0.03 0.72 6.72 -38.55 -0.26 0.46 16 20 O -0.19 -4.89 7.98 -32.14 -0.26 -5.15 16 21 C 0.07 1.37 6.70 -39.14 -0.26 1.11 16 22 C -0.11 -1.90 9.98 -39.46 -0.39 -2.29 16 23 C -0.11 -1.40 10.04 -39.56 -0.40 -1.79 16 24 C -0.13 -1.51 10.04 -39.56 -0.40 -1.90 16 25 C -0.11 -1.52 9.99 -39.45 -0.39 -1.92 16 26 C 0.04 0.75 6.71 -39.14 -0.26 0.48 16 27 O -0.25 -4.68 9.94 -19.09 -0.19 -4.87 16 28 H 0.14 2.75 6.29 -52.48 -0.33 2.42 16 29 H 0.40 3.11 8.47 -40.82 -0.35 2.76 16 30 H 0.08 0.70 7.88 -51.92 -0.41 0.29 16 31 H 0.08 0.70 7.88 -51.93 -0.41 0.29 16 32 H 0.17 0.52 8.06 -52.49 -0.42 0.10 16 33 H 0.17 1.14 7.77 -52.49 -0.41 0.73 16 34 H 0.33 4.34 8.90 45.56 0.41 4.75 16 35 H 0.33 4.34 8.90 45.56 0.41 4.75 16 36 H 0.17 1.14 7.77 -52.49 -0.41 0.73 16 37 H 0.17 0.52 8.06 -52.49 -0.42 0.10 16 38 H 0.13 1.70 8.06 -52.49 -0.42 1.27 16 39 H 0.14 2.38 8.06 -52.48 -0.42 1.96 16 40 H 0.13 1.25 8.06 -52.49 -0.42 0.83 16 41 H 0.13 1.09 8.06 -52.49 -0.42 0.66 16 42 H 0.13 1.52 8.06 -52.49 -0.42 1.09 16 Total: -1.00 -45.67 376.73 -9.11 -54.77