REAL300009850810.mol2 54 1 O -0.68 -20.72 14.53 -20.23 -0.29 -21.01 16 2 C 0.51 14.76 4.98 36.01 0.18 14.94 16 3 O -0.68 -22.10 17.75 -20.23 -0.36 -22.46 16 4 C -0.15 -3.35 0.43 -157.42 -0.07 -3.42 16 5 C 0.58 12.22 2.65 -10.98 -0.03 12.19 16 6 O -0.56 -12.57 11.22 5.56 0.06 -12.51 16 7 N -0.60 -10.21 1.92 -172.68 -0.33 -10.55 16 8 C 0.11 1.52 6.29 -3.67 -0.02 1.49 16 9 C -0.11 -1.27 5.20 -26.69 -0.14 -1.41 16 10 C -0.07 -0.64 0.76 -154.34 -0.12 -0.76 16 11 C -0.10 -0.56 6.41 -26.08 -0.17 -0.72 16 12 C -0.17 -0.97 3.81 -89.74 -0.34 -1.31 16 13 C 0.32 1.64 8.89 37.16 0.33 1.97 16 14 O -0.65 -11.05 17.78 -57.73 -1.03 -12.08 16 15 O -0.70 -12.20 17.73 -57.73 -1.02 -13.22 16 16 C -0.13 -1.00 5.54 -26.09 -0.14 -1.15 16 17 C -0.12 -1.61 5.17 -26.68 -0.14 -1.75 16 18 C 0.11 1.75 3.34 -3.67 -0.01 1.74 16 19 C -0.09 -1.79 3.74 -27.44 -0.10 -1.89 16 20 C -0.13 -1.96 5.06 -25.62 -0.13 -2.09 16 21 C -0.14 -2.19 5.27 -27.44 -0.14 -2.33 16 22 C -0.11 -1.75 5.61 -27.35 -0.15 -1.91 16 23 C -0.16 -3.06 5.16 -29.60 -0.15 -3.22 16 24 C -0.07 -1.52 4.16 -29.59 -0.12 -1.64 16 25 H 0.09 1.37 6.98 -51.93 -0.36 1.01 16 26 H 0.06 0.61 7.41 -51.93 -0.38 0.22 16 27 H 0.08 1.16 8.14 -51.93 -0.42 0.73 16 28 H 0.07 0.63 7.31 -51.93 -0.38 0.25 16 29 H 0.09 0.47 7.32 -51.93 -0.38 0.09 16 30 H 0.09 0.34 8.04 -51.93 -0.42 -0.08 16 31 H 0.13 0.89 7.61 -51.93 -0.39 0.50 16 32 H 0.14 0.32 8.14 -51.93 -0.42 -0.10 16 33 H 0.13 0.24 7.84 -51.93 -0.41 -0.16 16 34 H 0.34 5.44 9.20 45.56 0.42 5.86 16 35 H 0.31 4.17 7.65 45.56 0.35 4.51 16 36 H 0.09 0.61 7.85 -51.93 -0.41 0.20 16 37 H 0.09 0.80 8.09 -51.93 -0.42 0.38 16 38 H 0.07 0.73 8.12 -51.93 -0.42 0.31 16 39 H 0.10 1.84 6.95 -51.93 -0.36 1.48 16 40 H 0.11 2.11 2.81 -51.93 -0.15 1.96 16 41 H 0.05 0.62 6.79 -51.93 -0.35 0.27 16 42 H 0.06 1.25 5.73 -51.93 -0.30 0.95 16 43 H 0.06 1.25 6.63 -51.93 -0.34 0.90 16 44 H 0.05 0.70 8.14 -51.93 -0.42 0.28 16 45 H 0.07 0.95 4.49 -51.93 -0.23 0.72 16 46 H 0.05 0.64 8.14 -51.93 -0.42 0.22 16 47 H 0.08 1.46 4.10 -51.93 -0.21 1.25 16 48 H 0.06 0.89 6.98 -51.93 -0.36 0.53 16 49 H 0.05 0.73 8.14 -51.93 -0.42 0.31 16 50 H 0.04 0.73 8.14 -51.93 -0.42 0.31 16 51 H 0.12 2.52 4.22 -54.96 -0.23 2.29 16 52 H 0.06 1.22 7.47 -51.93 -0.39 0.83 16 53 H 0.05 1.30 7.96 -51.93 -0.41 0.88 16 Total: -1.00 -42.65 369.79 -7.96 -50.61