REAL300009850853.mol2 47 1 C -0.15 -2.99 8.18 37.16 0.30 -2.69 16 2 C -0.03 -0.71 0.54 -154.51 -0.08 -0.79 16 3 C -0.13 -2.89 8.23 37.16 0.31 -2.58 16 4 C -0.16 -3.75 7.67 37.16 0.28 -3.46 16 5 C -0.17 -4.15 1.54 -92.92 -0.14 -4.29 16 6 C 0.52 15.34 3.72 36.01 0.13 15.47 16 7 O -0.68 -22.14 14.86 -20.23 -0.30 -22.44 16 8 O -0.69 -22.15 17.11 -20.22 -0.35 -22.50 16 9 C 0.56 13.09 6.53 -10.98 -0.07 13.02 16 10 O -0.54 -13.18 11.62 5.56 0.06 -13.11 16 11 N -0.62 -11.92 3.33 -170.91 -0.57 -12.49 16 12 C 0.10 1.76 5.97 -2.87 -0.02 1.74 16 13 C -0.11 -1.23 6.34 -25.51 -0.16 -1.39 16 14 C -0.10 -0.89 0.93 -154.60 -0.14 -1.03 16 15 C -0.11 -0.96 6.94 -26.53 -0.18 -1.14 16 16 C -0.17 -1.04 3.22 -89.56 -0.29 -1.33 16 17 C 0.39 1.90 9.53 37.16 0.35 2.26 16 18 O -0.70 -11.67 16.54 -57.73 -0.95 -12.62 16 19 O -0.75 -12.77 17.78 -57.73 -1.03 -13.79 16 20 C -0.08 -0.36 7.01 -26.53 -0.19 -0.55 16 21 C 0.13 1.87 6.16 -3.11 -0.02 1.85 16 22 H 0.04 0.70 8.14 -51.93 -0.42 0.28 16 23 H 0.04 0.79 8.14 -51.93 -0.42 0.37 16 24 H 0.08 1.67 5.51 -51.93 -0.29 1.38 16 25 H 0.06 1.46 7.22 -51.93 -0.37 1.08 16 26 H 0.05 0.87 8.14 -51.93 -0.42 0.45 16 27 H 0.05 0.92 8.14 -51.93 -0.42 0.50 16 28 H 0.07 1.78 5.51 -51.93 -0.29 1.50 16 29 H 0.03 0.55 8.14 -51.93 -0.42 0.13 16 30 H 0.09 2.39 5.50 -51.93 -0.29 2.10 16 31 H 0.08 1.96 8.12 -51.93 -0.42 1.54 16 32 H 0.07 1.16 8.14 -51.93 -0.42 0.74 16 33 H 0.09 1.98 6.15 -51.93 -0.32 1.66 16 34 H 0.08 0.82 8.14 -51.93 -0.42 0.40 16 35 H 0.08 0.69 7.99 -51.93 -0.42 0.28 16 36 H 0.10 0.60 7.81 -51.93 -0.41 0.20 16 37 H 0.09 1.08 8.12 -51.93 -0.42 0.66 16 38 H 0.15 1.22 7.73 -51.93 -0.40 0.82 16 39 H 0.14 0.12 8.14 -51.93 -0.42 -0.31 16 40 H 0.14 0.20 7.85 -51.93 -0.41 -0.21 16 41 H 0.33 4.99 8.90 45.56 0.41 5.39 16 42 H 0.32 5.00 8.90 45.56 0.41 5.40 16 43 H 0.10 0.38 8.12 -51.93 -0.42 -0.04 16 44 H 0.10 0.13 8.10 -51.93 -0.42 -0.29 16 45 H 0.08 1.16 8.00 -51.93 -0.42 0.75 16 46 H 0.07 0.97 8.14 -51.93 -0.42 0.55 16 Total: -1.00 -45.24 356.56 -5.95 -51.19