REAL300009850764.mol2 47 1 C -0.12 -2.45 7.04 37.16 0.26 -2.19 16 2 C -0.11 -2.71 0.77 -156.81 -0.12 -2.83 16 3 C -0.12 -2.44 8.20 37.16 0.30 -2.14 16 4 C 0.51 15.77 6.58 36.01 0.24 16.00 16 5 O -0.69 -23.08 15.99 -20.23 -0.32 -23.40 16 6 O -0.69 -23.72 17.67 -20.23 -0.36 -24.08 16 7 C 0.01 0.13 4.39 -104.53 -0.46 -0.33 16 8 C -0.09 -1.85 7.90 -39.64 -0.31 -2.16 16 9 C -0.07 -1.30 9.66 -39.18 -0.38 -1.68 16 10 C -0.16 -2.70 5.08 -104.97 -0.53 -3.23 16 11 C 0.57 9.31 7.31 -12.33 -0.09 9.22 16 12 O -0.53 -10.57 16.36 5.32 0.09 -10.48 16 13 N -0.61 -7.11 2.98 -174.15 -0.52 -7.63 16 14 C 0.09 0.76 4.94 -3.71 -0.02 0.74 16 15 C -0.13 -0.75 6.08 -26.61 -0.16 -0.91 16 16 C -0.10 -0.26 5.17 -26.69 -0.14 -0.39 16 17 C -0.16 -0.93 2.03 -90.73 -0.18 -1.11 16 18 C 0.38 1.54 9.01 37.15 0.33 1.88 16 19 O -0.68 -10.89 14.58 -57.73 -0.84 -11.73 16 20 O -0.75 -12.21 17.78 -57.73 -1.03 -13.23 16 21 C 0.11 1.05 5.52 -3.93 -0.02 1.03 16 22 C -0.10 -1.48 7.40 -39.19 -0.29 -1.77 16 23 C -0.14 -2.45 8.96 -39.64 -0.36 -2.80 16 24 H 0.04 0.74 7.51 -51.93 -0.39 0.35 16 25 H 0.06 1.29 8.09 -51.93 -0.42 0.87 16 26 H 0.05 0.98 7.49 -51.93 -0.39 0.59 16 27 H 0.05 1.03 7.38 -51.93 -0.38 0.64 16 28 H 0.06 1.34 8.09 -51.93 -0.42 0.92 16 29 H 0.04 0.76 8.14 -51.93 -0.42 0.34 16 30 H 0.12 2.80 7.50 -52.49 -0.39 2.41 16 31 H 0.12 2.23 8.06 -52.49 -0.42 1.81 16 32 H 0.07 0.43 8.13 -51.93 -0.42 0.01 16 33 H 0.11 1.19 4.80 -51.93 -0.25 0.94 16 34 H 0.09 0.38 8.14 -51.93 -0.42 -0.04 16 35 H 0.08 0.61 8.14 -51.93 -0.42 0.18 16 36 H 0.08 0.04 8.14 -51.93 -0.42 -0.38 16 37 H 0.08 0.03 8.14 -51.93 -0.42 -0.39 16 38 H 0.13 1.06 8.03 -51.92 -0.42 0.64 16 39 H 0.14 0.03 8.14 -51.93 -0.42 -0.39 16 40 H 0.14 0.00 8.14 -51.93 -0.42 -0.42 16 41 H 0.33 4.99 8.90 45.56 0.41 5.40 16 42 H 0.33 4.83 8.90 45.56 0.41 5.23 16 43 H 0.13 1.87 4.78 -51.93 -0.25 1.62 16 44 H 0.07 0.46 8.14 -51.93 -0.42 0.04 16 45 H 0.12 1.40 6.71 -52.48 -0.35 1.05 16 46 H 0.13 1.97 5.87 -52.49 -0.31 1.66 16 Total: -1.00 -47.86 366.77 -6.77 -54.62