REAL300018569255.mol2 46 1 O -0.74 -34.56 17.82 19.05 0.34 -34.23 16 2 C 0.50 18.57 7.33 71.24 0.52 19.09 16 3 O -0.73 -33.72 15.46 19.05 0.29 -33.43 16 4 C -0.22 -2.76 1.61 -54.89 -0.09 -2.85 16 5 C -0.13 1.02 7.61 27.56 0.21 1.23 16 6 C 0.07 -1.47 2.17 -14.01 -0.03 -1.50 16 7 C 0.07 -3.32 5.69 86.30 0.49 -2.83 16 8 N -0.51 28.14 1.74 -517.93 -0.90 27.24 16 9 H 0.44 -24.71 8.46 -89.69 -0.76 -25.46 16 10 H 0.44 -25.09 8.67 -89.70 -0.78 -25.87 16 11 C 0.06 -3.34 5.50 85.55 0.47 -2.87 16 12 C -0.11 5.15 5.36 -19.80 -0.11 5.04 16 13 C -0.01 0.60 9.68 22.24 0.22 0.82 16 14 C -0.12 2.89 9.75 22.49 0.22 3.11 16 15 C 0.33 -4.19 9.80 22.82 0.22 -3.97 16 16 O -0.75 -10.95 17.25 -127.47 -2.20 -13.15 16 17 O -0.75 -10.82 17.25 -127.47 -2.20 -13.02 16 18 C -0.12 2.89 9.75 22.48 0.22 3.11 16 19 C -0.02 0.63 9.68 22.24 0.22 0.84 16 20 C -0.14 0.27 7.11 27.01 0.19 0.46 16 21 O -0.31 4.01 11.54 -148.98 -1.72 2.29 16 22 C 0.13 0.74 0.80 -10.91 -0.01 0.74 16 23 C -0.14 -1.69 7.58 30.57 0.23 -1.46 16 24 C -0.13 -0.96 8.09 31.29 0.25 -0.70 16 25 C -0.14 -1.40 7.53 30.58 0.23 -1.16 16 26 H 0.09 -0.95 8.14 -2.39 -0.02 -0.97 16 27 H 0.12 -1.18 7.78 -2.39 -0.02 -1.20 16 28 H 0.19 -10.03 8.14 -2.39 -0.02 -10.05 16 29 H 0.18 -9.30 8.14 -2.39 -0.02 -9.32 16 30 H 0.19 -12.26 8.08 -2.38 -0.02 -12.28 16 31 H 0.19 -12.08 8.08 -2.39 -0.02 -12.10 16 32 H 0.23 -11.22 8.06 -2.92 -0.02 -11.25 16 33 H 0.17 -2.96 7.77 -2.91 -0.02 -2.99 16 34 H 0.33 4.23 8.90 -74.05 -0.66 3.57 16 35 H 0.33 4.18 8.90 -74.06 -0.66 3.52 16 36 H 0.17 -2.91 7.77 -2.91 -0.02 -2.93 16 37 H 0.23 -11.27 8.06 -2.91 -0.02 -11.30 16 38 H 0.11 -0.25 7.78 -2.38 -0.02 -0.27 16 39 H 0.06 0.07 8.06 -2.39 -0.02 0.05 16 40 H 0.04 0.99 7.58 -2.38 -0.02 0.97 16 41 H 0.09 0.50 8.14 -2.38 -0.02 0.48 16 42 H 0.11 -0.06 8.14 -2.39 -0.02 -0.08 16 43 H 0.05 0.58 8.14 -2.39 -0.02 0.56 16 44 H 0.10 0.12 8.14 -2.39 -0.02 0.10 16 45 H 0.07 1.58 5.97 -2.39 -0.01 1.57 16 Total: 0.00 -156.31 373.03 -6.14 -162.44