REAL300009850875.mol2 51 1 C -0.12 -2.48 7.04 37.16 0.26 -2.22 16 2 C -0.12 -2.79 0.77 -156.81 -0.12 -2.91 16 3 C -0.12 -2.43 8.20 37.16 0.30 -2.13 16 4 C 0.51 16.11 6.58 36.00 0.24 16.34 16 5 O -0.68 -23.76 16.00 -20.23 -0.32 -24.08 16 6 O -0.69 -24.13 17.67 -20.23 -0.36 -24.49 16 7 C 0.01 0.24 4.39 -104.53 -0.46 -0.22 16 8 C -0.09 -2.03 7.90 -39.64 -0.31 -2.35 16 9 C -0.06 -1.20 9.59 -39.18 -0.38 -1.57 16 10 C -0.16 -2.85 5.87 -104.97 -0.62 -3.46 16 11 C 0.58 9.48 7.81 -12.33 -0.10 9.39 16 12 O -0.54 -10.45 16.69 5.32 0.09 -10.37 16 13 N -0.62 -6.98 3.34 -175.81 -0.59 -7.56 16 14 C 0.09 0.70 4.89 -2.87 -0.01 0.69 16 15 C -0.12 -0.42 6.35 -25.51 -0.16 -0.58 16 16 C -0.10 -0.38 0.93 -154.49 -0.14 -0.52 16 17 C -0.08 -0.01 7.01 -26.53 -0.19 -0.19 16 18 C -0.17 -0.50 3.18 -89.56 -0.29 -0.79 16 19 C 0.38 0.99 9.52 37.16 0.35 1.34 16 20 O -0.70 -10.51 16.57 -57.73 -0.96 -11.46 16 21 O -0.74 -11.58 17.78 -57.73 -1.03 -12.60 16 22 C -0.11 -0.57 6.95 -26.41 -0.18 -0.75 16 23 C 0.13 1.06 6.15 -3.12 -0.02 1.04 16 24 C -0.13 -1.97 8.59 -39.19 -0.34 -2.31 16 25 C -0.14 -2.60 8.96 -39.64 -0.36 -2.95 16 26 H 0.04 0.74 7.51 -51.93 -0.39 0.35 16 27 H 0.06 1.30 8.09 -51.93 -0.42 0.88 16 28 H 0.05 1.01 7.50 -51.93 -0.39 0.62 16 29 H 0.05 1.03 7.37 -51.93 -0.38 0.65 16 30 H 0.06 1.35 8.09 -51.93 -0.42 0.93 16 31 H 0.04 0.75 8.14 -51.93 -0.42 0.32 16 32 H 0.12 2.86 7.50 -52.49 -0.39 2.47 16 33 H 0.13 2.39 7.67 -52.48 -0.40 1.99 16 34 H 0.08 0.72 6.67 -51.93 -0.35 0.37 16 35 H 0.08 0.58 6.79 -51.93 -0.35 0.23 16 36 H 0.09 0.18 8.00 -51.93 -0.42 -0.23 16 37 H 0.08 0.18 8.14 -51.93 -0.42 -0.24 16 38 H 0.10 -0.28 8.10 -51.93 -0.42 -0.70 16 39 H 0.10 -0.06 8.12 -51.93 -0.42 -0.48 16 40 H 0.14 0.77 7.78 -51.93 -0.40 0.37 16 41 H 0.14 -0.19 8.14 -51.92 -0.42 -0.61 16 42 H 0.14 -0.12 7.88 -51.93 -0.41 -0.53 16 43 H 0.33 4.60 8.90 45.56 0.41 5.00 16 44 H 0.33 4.61 8.90 45.56 0.41 5.02 16 45 H 0.09 0.83 8.13 -51.93 -0.42 0.41 16 46 H 0.10 0.31 7.83 -51.93 -0.41 -0.10 16 47 H 0.07 0.51 8.14 -51.93 -0.42 0.09 16 48 H 0.08 0.83 8.04 -51.93 -0.42 0.41 16 49 H 0.15 1.65 2.77 -57.39 -0.16 1.49 16 50 H 0.13 1.99 5.87 -52.49 -0.31 1.68 16 Total: -1.00 -50.51 398.80 -7.82 -58.33