REAL300009850790.mol2 45 1 O -0.68 -22.33 16.59 -20.23 -0.34 -22.66 16 2 C 0.52 15.63 5.49 36.01 0.20 15.83 16 3 O -0.68 -21.80 16.15 -20.23 -0.33 -22.13 16 4 C -0.17 -4.17 0.69 -156.00 -0.11 -4.27 16 5 C 0.56 12.90 6.10 -10.99 -0.07 12.83 16 6 O -0.56 -14.02 15.59 5.56 0.09 -13.93 16 7 N -0.60 -10.98 2.94 -172.68 -0.51 -11.49 16 8 C 0.12 1.94 5.04 -3.67 -0.02 1.92 16 9 C -0.12 -1.27 5.20 -26.69 -0.14 -1.40 16 10 C -0.07 -0.55 0.76 -154.34 -0.12 -0.66 16 11 C -0.11 -0.54 6.41 -26.08 -0.17 -0.71 16 12 C -0.18 -0.85 2.50 -89.74 -0.22 -1.07 16 13 C 0.32 1.46 9.53 37.15 0.35 1.81 16 14 O -0.70 -11.78 17.75 -57.73 -1.02 -12.81 16 15 O -0.65 -10.80 17.78 -57.73 -1.03 -11.83 16 16 C -0.13 -0.73 6.63 -26.08 -0.17 -0.90 16 17 C -0.12 -1.05 5.25 -26.69 -0.14 -1.19 16 18 C 0.11 1.55 6.29 -3.67 -0.02 1.52 16 19 C -0.11 -2.16 5.91 -25.82 -0.15 -2.31 16 20 C -0.13 -2.55 7.64 -25.83 -0.20 -2.75 16 21 C -0.10 -2.23 6.88 -25.92 -0.18 -2.41 16 22 H 0.10 2.00 3.72 -51.93 -0.19 1.80 16 23 H 0.07 1.10 7.41 -51.93 -0.38 0.71 16 24 H 0.08 0.86 8.14 -51.93 -0.42 0.44 16 25 H 0.08 0.71 7.31 -51.93 -0.38 0.33 16 26 H 0.10 0.62 7.32 -51.93 -0.38 0.24 16 27 H 0.10 0.27 8.04 -51.93 -0.42 -0.15 16 28 H 0.14 0.78 6.35 -51.93 -0.33 0.45 16 29 H 0.14 0.20 8.14 -51.93 -0.42 -0.22 16 30 H 0.13 0.19 7.84 -51.93 -0.41 -0.21 16 31 H 0.31 3.90 6.29 45.56 0.29 4.18 16 32 H 0.34 5.33 9.20 45.56 0.42 5.74 16 33 H 0.09 0.40 7.85 -51.93 -0.41 -0.01 16 34 H 0.09 0.60 8.09 -51.93 -0.42 0.18 16 35 H 0.07 0.47 8.12 -51.93 -0.42 0.05 16 36 H 0.07 0.74 8.14 -51.93 -0.42 0.32 16 37 H 0.09 1.38 7.00 -51.93 -0.36 1.02 16 38 H 0.06 0.77 8.05 -51.93 -0.42 0.35 16 39 H 0.07 1.13 8.09 -51.93 -0.42 0.71 16 40 H 0.07 1.39 7.30 -51.93 -0.38 1.01 16 41 H 0.10 2.16 7.03 -51.93 -0.37 1.80 16 42 H 0.05 0.89 8.14 -51.93 -0.42 0.47 16 43 H 0.06 1.50 8.09 -51.93 -0.42 1.08 16 44 H 0.07 1.55 7.74 -51.93 -0.40 1.15 16 Total: -1.00 -45.39 340.55 -6.65 -52.04