REAL300018338934.mol2 44 1 O -0.67 -18.41 17.40 -26.63 -0.46 -18.88 16 2 C 0.50 12.02 8.13 36.01 0.29 12.31 16 3 O -0.68 -18.48 18.00 -20.22 -0.36 -18.84 16 4 C -0.01 -0.15 5.30 36.01 0.19 0.04 16 5 O -0.27 -3.58 9.67 -39.28 -0.38 -3.96 16 6 C 0.16 0.95 6.69 -39.22 -0.26 0.68 16 7 C -0.16 -0.28 9.99 -39.43 -0.39 -0.67 16 8 C -0.07 0.32 9.69 -39.61 -0.38 -0.06 16 9 C -0.18 1.44 5.14 -104.60 -0.54 0.90 16 10 C -0.09 1.45 5.57 -27.88 -0.16 1.29 16 11 C -0.01 0.22 5.35 -3.82 -0.02 0.20 16 12 N -0.51 14.12 1.74 -115.06 -0.20 13.92 16 13 H 0.43 -12.55 8.67 -39.29 -0.34 -12.89 16 14 H 0.43 -12.58 8.66 -39.29 -0.34 -12.92 16 15 C 0.05 -1.22 5.50 -4.98 -0.03 -1.24 16 16 C -0.16 3.45 5.36 -104.52 -0.56 2.89 16 17 C -0.05 0.98 9.68 -39.63 -0.38 0.59 16 18 C -0.11 1.40 9.75 -39.25 -0.38 1.02 16 19 C 0.32 -3.06 9.80 -38.73 -0.38 -3.44 16 20 O -0.64 -0.12 17.25 -57.73 -1.00 -1.11 16 21 O -0.64 -0.13 17.25 -57.73 -1.00 -1.12 16 22 C -0.11 1.40 9.75 -39.25 -0.38 1.02 16 23 C -0.05 0.98 9.68 -39.63 -0.38 0.60 16 24 C -0.06 0.28 9.69 -39.60 -0.38 -0.11 16 25 C -0.22 -0.44 9.04 -39.43 -0.36 -0.80 16 26 H 0.06 0.80 7.66 -51.93 -0.40 0.40 16 27 H 0.06 0.76 7.66 -51.93 -0.40 0.36 16 28 H 0.14 0.33 8.06 -52.49 -0.42 -0.09 16 29 H 0.12 -1.05 8.06 -52.48 -0.42 -1.47 16 30 H 0.09 -1.64 8.08 -51.93 -0.42 -2.06 16 31 H 0.09 -1.61 8.08 -51.93 -0.42 -2.03 16 32 H 0.14 -3.02 8.14 -51.93 -0.42 -3.45 16 33 H 0.14 -3.05 8.14 -51.93 -0.42 -3.48 16 34 H 0.15 -3.93 8.08 -51.93 -0.42 -4.35 16 35 H 0.15 -3.91 8.08 -51.93 -0.42 -4.33 16 36 H 0.17 -3.71 8.06 -52.49 -0.42 -4.13 16 37 H 0.18 -2.09 7.77 -52.49 -0.41 -2.49 16 38 H 0.35 -0.63 8.90 45.56 0.41 -0.22 16 39 H 0.35 -0.62 8.90 45.56 0.41 -0.22 16 40 H 0.18 -2.10 7.77 -52.49 -0.41 -2.50 16 41 H 0.17 -3.73 8.06 -52.49 -0.42 -4.15 16 42 H 0.12 -0.93 8.06 -52.49 -0.42 -1.35 16 43 H 0.13 0.41 6.30 -52.48 -0.33 0.08 16 Total: 0.00 -61.71 376.63 -8.68 -70.40