REAL300009850701.mol2 44 1 O -0.67 -20.32 14.99 -20.23 -0.30 -20.62 16 2 C 0.50 13.92 7.52 36.01 0.27 14.19 16 3 O -0.69 -20.32 15.92 -20.23 -0.32 -20.64 16 4 C -0.18 -3.76 1.96 -92.92 -0.18 -3.95 16 5 C 0.55 10.75 6.09 -10.99 -0.07 10.68 16 6 O -0.53 -10.78 12.39 5.56 0.07 -10.71 16 7 N -0.66 -11.11 4.59 -9.89 -0.05 -11.16 16 8 C 0.21 3.07 6.25 -83.75 -0.52 2.54 16 9 C -0.16 -1.75 9.69 -38.96 -0.38 -2.13 16 10 C -0.02 -0.23 5.74 -106.77 -0.61 -0.85 16 11 C -0.06 -0.43 9.73 -39.53 -0.38 -0.82 16 12 C -0.11 -1.05 9.65 -39.64 -0.38 -1.44 16 13 C 0.31 3.86 9.78 -38.67 -0.38 3.48 16 14 O -0.69 -12.32 17.20 -57.73 -0.99 -13.31 16 15 O -0.69 -12.53 17.19 -57.73 -0.99 -13.53 16 16 C -0.07 -0.81 9.49 -38.78 -0.37 -1.17 16 17 C -0.05 -0.48 5.74 -106.81 -0.61 -1.09 16 18 C -0.08 -0.88 9.74 -39.48 -0.38 -1.26 16 19 C -0.09 -1.33 8.55 -39.76 -0.34 -1.67 16 20 C -0.05 -0.96 2.01 -89.50 -0.18 -1.14 16 21 C -0.09 -1.74 4.71 -25.03 -0.12 -1.86 16 22 C -0.13 -1.98 6.91 -24.70 -0.17 -2.15 16 23 C -0.13 -1.80 6.83 -25.07 -0.17 -1.97 16 24 C -0.11 -1.82 5.10 -25.61 -0.13 -1.95 16 25 H 0.09 1.83 8.13 -51.93 -0.42 1.41 16 26 H 0.42 6.91 7.99 -40.82 -0.33 6.58 16 27 H 0.14 1.17 8.06 -52.49 -0.42 0.74 16 28 H 0.17 0.67 8.06 -52.49 -0.42 0.25 16 29 H 0.17 1.45 7.73 -52.48 -0.41 1.05 16 30 H 0.33 4.95 8.90 45.56 0.41 5.36 16 31 H 0.33 5.03 8.90 45.56 0.41 5.44 16 32 H 0.18 1.79 7.73 -52.49 -0.41 1.39 16 33 H 0.14 1.26 8.06 -52.48 -0.42 0.83 16 34 H 0.15 2.47 6.40 -52.48 -0.34 2.13 16 35 H 0.07 1.49 8.12 -51.93 -0.42 1.07 16 36 H 0.06 1.22 7.77 -51.93 -0.40 0.82 16 37 H 0.08 1.63 7.37 -51.93 -0.38 1.25 16 38 H 0.06 0.86 8.14 -51.93 -0.42 0.44 16 39 H 0.06 0.78 8.14 -51.93 -0.42 0.36 16 40 H 0.06 0.70 8.14 -51.93 -0.42 0.28 16 41 H 0.06 0.79 8.14 -51.93 -0.42 0.36 16 42 H 0.06 1.02 8.14 -51.93 -0.42 0.60 16 43 H 0.05 0.90 6.95 -51.93 -0.36 0.54 16 Total: -1.00 -37.90 358.66 -8.33 -46.23