REAL300018648553.mol2 45 1 O -0.74 -38.59 16.94 19.08 0.32 -38.27 16 2 C 0.47 21.19 6.76 71.24 0.48 21.67 16 3 O -0.74 -40.14 17.79 19.04 0.34 -39.80 16 4 C -0.15 -3.34 0.72 -52.61 -0.04 -3.38 16 5 C -0.10 -1.30 5.09 31.17 0.16 -1.14 16 6 C -0.14 1.09 4.79 31.12 0.15 1.24 16 7 C 0.09 -1.32 0.89 -10.69 -0.01 -1.33 16 8 C 0.04 -1.28 4.68 86.30 0.40 -0.87 16 9 N -0.50 18.38 1.47 -517.92 -0.76 17.62 16 10 H 0.43 -13.29 5.03 -89.70 -0.45 -13.74 16 11 H 0.44 -18.04 8.24 -89.69 -0.74 -18.78 16 12 C 0.05 -1.96 4.64 85.56 0.40 -1.57 16 13 C -0.12 4.17 5.38 -19.65 -0.11 4.06 16 14 C -0.03 1.04 9.66 22.24 0.21 1.26 16 15 C -0.09 3.29 10.04 22.33 0.22 3.52 16 16 C -0.04 1.19 10.03 22.24 0.22 1.41 16 17 C -0.13 2.88 9.75 22.49 0.22 3.10 16 18 C 0.32 -7.04 9.76 22.82 0.22 -6.81 16 19 O -0.76 -3.64 17.25 -127.47 -2.20 -5.84 16 20 O -0.70 10.43 12.36 -127.47 -1.58 8.86 16 21 C -0.13 0.78 5.27 30.90 0.16 0.94 16 22 C -0.10 -1.47 5.02 30.96 0.16 -1.31 16 23 O -0.36 2.46 9.88 -148.98 -1.47 0.99 16 24 C 0.12 1.51 5.31 72.08 0.38 1.89 16 25 H 0.04 0.75 8.14 -2.39 -0.02 0.73 16 26 H 0.05 0.90 8.14 -2.39 -0.02 0.88 16 27 H 0.11 -1.28 8.14 -2.39 -0.02 -1.30 16 28 H 0.09 -1.35 6.57 -2.39 -0.02 -1.37 16 29 H 0.18 -7.23 8.14 -2.39 -0.02 -7.25 16 30 H 0.17 -5.80 8.14 -2.39 -0.02 -5.82 16 31 H 0.20 -10.19 8.00 -2.39 -0.02 -10.21 16 32 H 0.15 -5.16 5.77 -2.39 -0.01 -5.18 16 33 H 0.23 -11.38 8.03 -2.91 -0.02 -11.41 16 34 H 0.20 -8.00 8.06 -2.91 -0.02 -8.03 16 35 H 0.19 -6.20 8.06 -2.91 -0.02 -6.22 16 36 H 0.16 -2.48 7.77 -2.91 -0.02 -2.51 16 37 H 0.33 0.99 8.90 -74.06 -0.66 0.33 16 38 H 0.35 -4.21 8.90 -74.06 -0.66 -4.87 16 39 H 0.11 -1.14 8.14 -2.38 -0.02 -1.16 16 40 H 0.11 -1.22 8.14 -2.39 -0.02 -1.24 16 41 H 0.05 0.93 8.14 -2.39 -0.02 0.91 16 42 H 0.04 0.75 8.14 -2.39 -0.02 0.73 16 43 H 0.06 0.95 8.12 -2.39 -0.02 0.93 16 44 H 0.05 0.95 8.11 -2.38 -0.02 0.94 16 Total: 0.00 -122.42 346.33 -4.97 -127.39