REAL300018577693.mol2 47 1 O -0.70 -24.95 15.09 19.05 0.29 -24.66 16 2 C 0.45 13.96 7.77 71.24 0.55 14.52 16 3 O -0.75 -34.76 18.00 19.03 0.34 -34.42 16 4 C -0.18 -1.43 5.13 29.85 0.15 -1.27 16 5 C 0.08 -0.69 1.93 44.92 0.09 -0.61 16 6 H 0.14 -0.65 7.79 -2.39 -0.02 -0.67 16 7 C 0.05 -0.89 5.44 71.98 0.39 -0.50 16 8 O -0.40 6.49 9.02 -148.98 -1.34 5.15 16 9 C 0.11 -1.78 6.06 71.24 0.43 -1.35 16 10 C -0.10 1.00 5.51 -19.86 -0.11 0.89 16 11 C -0.12 0.43 9.70 22.27 0.22 0.65 16 12 C -0.15 0.27 10.05 22.27 0.22 0.49 16 13 C -0.13 0.51 10.05 22.27 0.22 0.74 16 14 C -0.13 1.12 10.05 22.27 0.22 1.35 16 15 C -0.10 1.18 9.70 22.27 0.22 1.40 16 16 N -0.50 7.45 1.58 -495.59 -0.78 6.67 16 17 H 0.43 -0.79 6.17 -89.69 -0.55 -1.35 16 18 H 0.44 -10.00 8.13 -89.70 -0.73 -10.73 16 19 C 0.03 -0.68 4.89 85.56 0.42 -0.26 16 20 C -0.13 3.01 5.37 -19.65 -0.11 2.90 16 21 C -0.03 0.88 9.66 22.24 0.21 1.09 16 22 C -0.09 2.69 10.04 22.33 0.22 2.92 16 23 C -0.05 1.15 10.03 22.24 0.22 1.37 16 24 C -0.13 1.93 9.86 22.49 0.22 2.15 16 25 C 0.20 -2.10 8.82 22.82 0.20 -1.90 16 26 O -0.63 -15.37 17.89 -127.47 -2.28 -17.65 16 27 O -0.62 -9.69 16.75 -127.47 -2.14 -11.83 16 28 H 0.10 0.51 7.78 -2.39 -0.02 0.49 16 29 H 0.10 0.84 8.14 -2.39 -0.02 0.82 16 30 H 0.13 -4.03 6.30 -2.39 -0.02 -4.05 16 31 H 0.09 -1.67 8.14 -2.39 -0.02 -1.69 16 32 H 0.10 -2.55 8.09 -2.39 -0.02 -2.57 16 33 H 0.06 -0.92 8.08 -2.39 -0.02 -0.94 16 34 H 0.12 -0.48 8.06 -2.91 -0.02 -0.50 16 35 H 0.12 -0.30 8.06 -2.91 -0.02 -0.33 16 36 H 0.13 -0.73 8.06 -2.91 -0.02 -0.75 16 37 H 0.14 -1.79 8.06 -2.91 -0.02 -1.81 16 38 H 0.16 -3.44 8.06 -2.91 -0.02 -3.46 16 39 H 0.21 -7.97 6.29 -2.39 -0.02 -7.99 16 40 H 0.13 -2.45 4.62 -2.39 -0.01 -2.46 16 41 H 0.23 -9.39 8.02 -2.91 -0.02 -9.41 16 42 H 0.20 -6.99 8.06 -2.91 -0.02 -7.01 16 43 H 0.19 -5.29 8.06 -2.91 -0.02 -5.31 16 44 H 0.16 -2.05 8.06 -2.91 -0.02 -2.07 16 45 H 0.32 4.27 8.81 -74.06 -0.65 3.62 16 46 H 0.32 0.27 6.75 -74.06 -0.50 -0.23 16 Total: 0.00 -105.86 385.97 -4.71 -110.56