REAL300018418462.mol2 44 1 C -0.19 3.86 8.29 71.98 0.60 4.46 16 2 C 0.07 -1.86 1.83 44.92 0.08 -1.78 16 3 N -0.51 16.56 1.43 -495.57 -0.71 15.85 16 4 H 0.43 -10.66 7.11 -89.69 -0.64 -11.29 16 5 H 0.44 -15.50 6.72 -89.69 -0.60 -16.10 16 6 C 0.05 -1.91 5.23 85.56 0.45 -1.46 16 7 C -0.11 3.80 5.36 -19.80 -0.11 3.70 16 8 C -0.03 0.72 9.68 22.24 0.22 0.94 16 9 C -0.12 1.62 9.75 22.49 0.22 1.84 16 10 C 0.33 -1.85 9.80 22.82 0.22 -1.63 16 11 O -0.75 -14.69 17.25 -127.47 -2.20 -16.89 16 12 O -0.74 -13.22 17.25 -127.47 -2.20 -15.42 16 13 C -0.11 1.92 9.75 22.48 0.22 2.14 16 14 C -0.01 0.38 9.69 22.24 0.22 0.60 16 15 C -0.15 0.90 0.35 -52.81 -0.02 0.88 16 16 C 0.48 6.29 3.46 71.24 0.25 6.53 16 17 O -0.72 -13.94 15.85 19.08 0.30 -13.64 16 18 O -0.72 -18.65 15.48 19.04 0.29 -18.36 16 19 C -0.12 0.24 4.09 30.69 0.13 0.36 16 20 C 0.05 0.44 6.60 72.02 0.47 0.92 16 21 O -0.40 -3.57 10.77 -148.98 -1.60 -5.17 16 22 C 0.05 0.24 6.60 72.01 0.48 0.71 16 23 C -0.13 1.18 4.25 30.69 0.13 1.31 16 24 H 0.09 -1.40 6.46 -2.39 -0.02 -1.42 16 25 H 0.13 -4.16 6.43 -2.39 -0.02 -4.18 16 26 H 0.04 -0.40 6.78 -2.38 -0.02 -0.42 16 27 H 0.20 -7.57 8.07 -2.39 -0.02 -7.59 16 28 H 0.21 -10.69 8.05 -2.39 -0.02 -10.71 16 29 H 0.17 -7.82 6.26 -2.39 -0.01 -7.83 16 30 H 0.21 -6.91 8.06 -2.91 -0.02 -6.93 16 31 H 0.17 -1.40 7.77 -2.91 -0.02 -1.42 16 32 H 0.33 5.58 8.90 -74.06 -0.66 4.92 16 33 H 0.33 5.16 8.90 -74.06 -0.66 4.50 16 34 H 0.18 -2.41 7.77 -2.91 -0.02 -2.44 16 35 H 0.24 -10.01 8.06 -2.91 -0.02 -10.03 16 36 H 0.11 -1.18 8.14 -2.38 -0.02 -1.20 16 37 H 0.08 0.07 6.20 -2.39 -0.01 0.05 16 38 H 0.01 0.17 6.88 -2.39 -0.02 0.15 16 39 H 0.10 0.55 8.14 -2.39 -0.02 0.53 16 40 H 0.01 0.14 7.01 -2.39 -0.02 0.12 16 41 H 0.11 0.04 8.14 -2.39 -0.02 0.02 16 42 H 0.09 -1.26 6.33 -2.39 -0.02 -1.27 16 43 H 0.12 -2.24 8.14 -2.39 -0.02 -2.26 16 Total: 0.00 -103.45 337.08 -5.46 -108.91