REAL300018644512.mol2 51 1 C -0.16 -1.49 8.02 71.98 0.58 -0.91 16 2 C 0.17 0.94 0.60 -10.70 -0.01 0.94 16 3 C -0.15 -1.77 8.26 71.98 0.59 -1.18 16 4 O -0.35 5.58 9.01 -148.98 -1.34 4.24 16 5 C 0.09 -2.21 0.88 -10.70 -0.01 -2.22 16 6 C 0.04 -1.97 4.66 86.30 0.40 -1.57 16 7 N -0.51 28.82 1.70 -517.94 -0.88 27.94 16 8 H 0.44 -25.46 6.79 -89.70 -0.61 -26.07 16 9 H 0.44 -24.28 8.09 -89.69 -0.73 -25.01 16 10 C 0.06 -3.44 5.50 85.56 0.47 -2.97 16 11 C -0.11 5.21 5.36 -19.80 -0.11 5.11 16 12 C -0.01 0.58 9.68 22.24 0.22 0.79 16 13 C -0.12 2.95 9.75 22.49 0.22 3.17 16 14 C 0.32 -4.16 9.80 22.82 0.22 -3.94 16 15 O -0.75 -11.25 17.25 -127.47 -2.20 -13.45 16 16 O -0.75 -10.87 17.25 -127.47 -2.20 -13.07 16 17 C -0.13 2.87 9.75 22.48 0.22 3.09 16 18 C -0.02 0.69 9.68 22.24 0.22 0.90 16 19 C -0.13 1.86 5.21 30.71 0.16 2.02 16 20 C -0.10 -0.96 3.95 30.76 0.12 -0.84 16 21 C -0.14 -2.17 0.31 -52.63 -0.02 -2.19 16 22 C 0.47 18.88 5.49 71.24 0.39 19.28 16 23 O -0.75 -38.15 16.91 19.03 0.32 -37.83 16 24 O -0.73 -34.48 14.93 19.07 0.28 -34.19 16 25 C -0.11 -0.53 4.69 31.25 0.15 -0.38 16 26 C -0.14 3.03 4.94 31.19 0.15 3.18 16 27 H 0.04 1.04 5.58 -2.39 -0.01 1.03 16 28 H 0.08 0.17 8.14 -2.38 -0.02 0.15 16 29 H 0.07 0.32 6.49 -2.39 -0.02 0.30 16 30 H 0.06 0.62 6.47 -2.39 -0.02 0.60 16 31 H 0.09 0.37 8.14 -2.39 -0.02 0.35 16 32 H 0.01 0.22 7.25 -2.39 -0.02 0.20 16 33 H 0.17 -9.11 8.14 -2.39 -0.02 -9.13 16 34 H 0.20 -11.26 8.14 -2.38 -0.02 -11.28 16 35 H 0.19 -11.86 8.08 -2.38 -0.02 -11.87 16 36 H 0.19 -12.88 8.08 -2.39 -0.02 -12.90 16 37 H 0.23 -11.93 8.06 -2.91 -0.02 -11.95 16 38 H 0.17 -3.08 7.77 -2.91 -0.02 -3.10 16 39 H 0.33 4.35 8.90 -74.06 -0.66 3.69 16 40 H 0.33 4.24 8.90 -74.06 -0.66 3.58 16 41 H 0.16 -2.77 7.77 -2.91 -0.02 -2.80 16 42 H 0.22 -10.85 8.06 -2.91 -0.02 -10.88 16 43 H 0.10 -1.64 8.14 -2.39 -0.02 -1.66 16 44 H 0.11 -2.37 8.14 -2.39 -0.02 -2.39 16 45 H 0.03 0.51 8.14 -2.39 -0.02 0.50 16 46 H 0.03 0.55 6.49 -2.39 -0.02 0.53 16 47 H 0.04 0.39 8.14 -2.39 -0.02 0.37 16 48 H 0.05 0.51 6.52 -2.39 -0.02 0.50 16 49 H 0.11 -3.56 6.64 -2.38 -0.02 -3.58 16 50 H 0.12 -3.51 8.14 -2.39 -0.02 -3.53 16 Total: 0.00 -163.33 382.81 -5.11 -168.44