REAL300018278680.mol2 43 1 C -0.15 -1.26 9.56 37.16 0.36 -0.90 16 2 C 0.08 0.90 2.84 -26.72 -0.08 0.83 16 3 C -0.18 -1.82 9.17 37.16 0.34 -1.48 16 4 O -0.32 -4.45 9.03 -19.02 -0.17 -4.62 16 5 C 0.05 0.89 6.63 -38.85 -0.26 0.63 16 6 C -0.18 -3.25 8.21 -39.54 -0.32 -3.57 16 7 C -0.10 -2.13 9.58 -39.15 -0.38 -2.51 16 8 C -0.12 -3.13 5.87 -105.01 -0.62 -3.74 16 9 C 0.52 16.94 8.00 34.39 0.28 17.21 16 10 O -0.69 -24.26 17.23 -20.57 -0.35 -24.61 16 11 O -0.69 -23.91 17.24 -20.58 -0.35 -24.26 16 12 C -0.12 -2.60 8.85 -38.96 -0.34 -2.94 16 13 C 0.17 2.83 6.66 -83.62 -0.56 2.27 16 14 N -0.75 -9.26 5.72 -59.71 -0.34 -9.60 16 15 C 0.17 1.63 5.03 -5.19 -0.03 1.61 16 16 C -0.08 -0.59 5.26 -104.52 -0.55 -1.14 16 17 C -0.06 -0.34 9.68 -39.63 -0.38 -0.72 16 18 C -0.11 -0.84 9.75 -39.25 -0.38 -1.22 16 19 C 0.33 3.30 9.80 -38.72 -0.38 2.92 16 20 O -0.68 -11.16 17.25 -57.73 -1.00 -12.16 16 21 O -0.68 -11.16 17.25 -57.73 -1.00 -12.16 16 22 C -0.11 -0.83 9.75 -39.25 -0.38 -1.22 16 23 C -0.06 -0.34 9.68 -39.63 -0.38 -0.72 16 24 H 0.06 0.53 8.14 -51.93 -0.42 0.11 16 25 H 0.07 0.49 8.14 -51.93 -0.42 0.07 16 26 H 0.06 0.55 8.14 -51.93 -0.42 0.13 16 27 H 0.07 0.81 6.30 -51.93 -0.33 0.48 16 28 H 0.07 0.54 8.14 -51.93 -0.42 0.12 16 29 H 0.06 0.63 8.14 -51.93 -0.42 0.21 16 30 H 0.07 0.78 6.90 -51.93 -0.36 0.42 16 31 H 0.12 1.79 5.39 -52.49 -0.28 1.51 16 32 H 0.13 2.86 7.63 -52.49 -0.40 2.46 16 33 H 0.13 2.79 6.30 -52.48 -0.33 2.45 16 34 H 0.40 4.47 7.82 -40.82 -0.32 4.15 16 35 H 0.08 0.80 7.90 -51.93 -0.41 0.39 16 36 H 0.08 0.80 7.88 -51.93 -0.41 0.39 16 37 H 0.17 0.75 8.06 -52.49 -0.42 0.33 16 38 H 0.17 1.29 7.77 -52.49 -0.41 0.88 16 39 H 0.33 4.51 8.90 45.56 0.41 4.92 16 40 H 0.33 4.52 8.90 45.56 0.41 4.92 16 41 H 0.17 1.28 7.77 -52.48 -0.41 0.88 16 42 H 0.17 0.74 8.06 -52.49 -0.42 0.32 16 Total: -1.00 -43.89 364.36 -7.60 -51.48