REAL300018448840.mol2 47 1 O -0.76 -41.84 18.00 19.05 0.34 -41.50 16 2 C 0.47 19.95 7.38 71.24 0.53 20.47 16 3 O -0.72 -32.04 17.18 19.05 0.33 -31.71 16 4 C -0.22 -4.70 3.78 -10.95 -0.04 -4.74 16 5 C -0.08 -0.66 6.75 30.98 0.21 -0.45 16 6 C -0.52 6.18 0.91 -10.73 -0.01 6.17 16 7 C -0.06 0.14 6.05 30.98 0.19 0.32 16 8 C -0.12 4.04 4.47 30.41 0.14 4.18 16 9 C 0.03 -1.42 2.02 44.69 0.09 -1.33 16 10 N -0.49 30.99 1.56 -496.77 -0.78 30.21 16 11 H 0.45 -30.38 8.59 -89.69 -0.77 -31.15 16 12 H 0.45 -29.79 8.54 -89.69 -0.77 -30.55 16 13 C 0.04 -2.64 5.22 85.56 0.45 -2.19 16 14 C -0.10 5.42 5.36 -19.80 -0.11 5.31 16 15 C -0.01 0.53 9.68 22.24 0.22 0.75 16 16 C -0.12 3.39 9.75 22.49 0.22 3.61 16 17 C 0.33 -5.20 9.80 22.82 0.22 -4.98 16 18 O -0.76 -9.78 17.25 -127.47 -2.20 -11.98 16 19 O -0.75 -9.03 17.25 -127.47 -2.20 -11.22 16 20 C -0.13 3.29 9.75 22.48 0.22 3.50 16 21 C -0.02 0.71 9.68 22.24 0.22 0.92 16 22 C -0.15 6.93 4.99 30.47 0.15 7.08 16 23 C -0.56 17.90 6.37 72.01 0.46 18.36 16 24 S 2.38 -22.18 4.63 -56.49 -0.26 -22.44 16 25 O -0.97 2.72 18.04 -127.39 -2.30 0.42 16 26 O -1.00 -7.42 16.16 -127.39 -2.06 -9.47 16 27 H 0.08 2.01 6.79 -2.39 -0.02 2.00 16 28 H 0.10 0.95 7.57 -2.39 -0.02 0.93 16 29 H 0.05 0.56 8.09 -2.39 -0.02 0.54 16 30 H 0.10 -0.92 8.09 -2.39 -0.02 -0.94 16 31 H 0.12 -0.59 7.97 -2.39 -0.02 -0.61 16 32 H 0.13 -4.65 8.10 -2.39 -0.02 -4.67 16 33 H 0.13 -4.46 8.07 -2.39 -0.02 -4.48 16 34 H 0.19 -10.12 7.52 -2.38 -0.02 -10.13 16 35 H 0.19 -12.79 8.05 -2.39 -0.02 -12.81 16 36 H 0.19 -13.30 5.94 -2.39 -0.01 -13.31 16 37 H 0.23 -13.14 8.06 -2.91 -0.02 -13.16 16 38 H 0.17 -3.66 7.77 -2.91 -0.02 -3.68 16 39 H 0.33 3.75 8.90 -74.05 -0.66 3.09 16 40 H 0.33 3.51 8.90 -74.06 -0.66 2.85 16 41 H 0.16 -3.12 7.77 -2.91 -0.02 -3.14 16 42 H 0.22 -11.63 8.06 -2.91 -0.02 -11.66 16 43 H 0.18 -10.89 5.81 -2.39 -0.01 -10.90 16 44 H 0.12 -5.87 8.02 -2.39 -0.02 -5.89 16 45 H 0.18 -6.71 8.12 -2.39 -0.02 -6.73 16 46 H 0.17 -5.50 8.14 -2.38 -0.02 -5.52 16 Total: 0.00 -191.46 384.94 -9.18 -200.64