REAL300018648554.mol2 45 1 O -0.74 -37.42 16.94 19.06 0.32 -37.10 16 2 C 0.47 19.43 6.76 71.23 0.48 19.91 16 3 O -0.74 -38.05 17.79 19.02 0.34 -37.71 16 4 C -0.15 -2.50 0.72 -52.62 -0.04 -2.54 16 5 C -0.10 -0.52 5.09 31.17 0.16 -0.36 16 6 C -0.14 3.04 4.93 31.11 0.15 3.20 16 7 C 0.08 -2.18 0.88 -10.70 -0.01 -2.19 16 8 C 0.04 -1.99 4.66 86.30 0.40 -1.59 16 9 N -0.51 28.84 1.70 -517.95 -0.88 27.96 16 10 H 0.44 -25.57 6.79 -89.69 -0.61 -26.17 16 11 H 0.44 -24.14 8.07 -89.69 -0.72 -24.86 16 12 C 0.06 -3.47 5.50 85.56 0.47 -3.00 16 13 C -0.11 5.22 5.36 -19.80 -0.11 5.11 16 14 C -0.01 0.56 9.68 22.24 0.22 0.78 16 15 C -0.12 2.94 9.75 22.48 0.22 3.16 16 16 C 0.32 -4.12 9.80 22.82 0.22 -3.89 16 17 O -0.75 -11.39 17.25 -127.47 -2.20 -13.59 16 18 O -0.75 -10.89 17.25 -127.47 -2.20 -13.08 16 19 C -0.13 2.85 9.75 22.48 0.22 3.07 16 20 C -0.02 0.71 9.68 22.24 0.22 0.93 16 21 C -0.13 1.90 5.22 30.72 0.16 2.06 16 22 C -0.10 -0.92 5.00 30.78 0.15 -0.76 16 23 O -0.37 5.43 9.70 -148.98 -1.45 3.99 16 24 C 0.12 0.95 5.31 72.08 0.38 1.33 16 25 H 0.04 0.52 8.14 -2.39 -0.02 0.50 16 26 H 0.04 0.39 8.14 -2.39 -0.02 0.37 16 27 H 0.11 -3.61 6.64 -2.39 -0.02 -3.63 16 28 H 0.13 -3.68 8.14 -2.38 -0.02 -3.70 16 29 H 0.17 -9.06 8.14 -2.39 -0.02 -9.08 16 30 H 0.20 -11.46 8.14 -2.39 -0.02 -11.48 16 31 H 0.18 -11.80 8.08 -2.39 -0.02 -11.82 16 32 H 0.20 -12.98 8.08 -2.39 -0.02 -13.00 16 33 H 0.23 -12.01 8.06 -2.91 -0.02 -12.03 16 34 H 0.17 -3.10 7.77 -2.91 -0.02 -3.12 16 35 H 0.33 4.39 8.90 -74.05 -0.66 3.73 16 36 H 0.33 4.24 8.90 -74.05 -0.66 3.59 16 37 H 0.16 -2.72 7.77 -2.91 -0.02 -2.74 16 38 H 0.22 -10.74 8.06 -2.91 -0.02 -10.76 16 39 H 0.12 -2.60 8.14 -2.39 -0.02 -2.62 16 40 H 0.10 -1.76 8.14 -2.39 -0.02 -1.78 16 41 H 0.03 0.43 8.14 -2.38 -0.02 0.41 16 42 H 0.04 0.65 8.14 -2.39 -0.02 0.64 16 43 H 0.04 0.63 8.11 -2.38 -0.02 0.61 16 44 H 0.05 0.67 8.12 -2.38 -0.02 0.65 16 Total: 0.00 -164.85 355.38 -5.77 -170.62