REAL300009850766.mol2 47 1 O -0.67 -21.83 16.20 -20.23 -0.33 -22.16 16 2 C 0.49 14.80 5.72 36.00 0.21 15.00 16 3 O -0.68 -22.79 18.00 -20.23 -0.36 -23.16 16 4 C 0.04 0.85 3.29 -68.15 -0.22 0.62 16 5 C -0.08 -1.63 6.39 -27.05 -0.17 -1.80 16 6 C 0.01 0.09 7.06 -80.13 -0.57 -0.47 16 7 C 0.61 9.54 7.65 -13.02 -0.10 9.44 16 8 O -0.52 -9.57 16.36 5.16 0.08 -9.48 16 9 N -0.61 -6.94 2.97 -174.19 -0.52 -7.46 16 10 C 0.11 1.11 6.44 -3.49 -0.02 1.09 16 11 C -0.13 -1.05 5.38 -26.39 -0.14 -1.19 16 12 C -0.15 -0.82 1.95 -90.58 -0.18 -1.00 16 13 C 0.39 1.87 8.82 37.16 0.33 2.20 16 14 O -0.73 -11.79 17.78 -57.73 -1.03 -12.81 16 15 O -0.72 -10.47 16.37 -57.73 -0.94 -11.42 16 16 C -0.11 -0.59 5.36 -26.61 -0.14 -0.73 16 17 C 0.07 0.65 6.30 -3.71 -0.02 0.62 16 18 N -0.18 -3.15 7.56 34.92 0.26 -2.89 16 19 N -0.42 -8.79 3.55 -52.30 -0.19 -8.97 16 20 C 0.25 4.84 6.15 -83.78 -0.51 4.32 16 21 C -0.17 -2.72 9.64 -39.37 -0.38 -3.10 16 22 C -0.09 -1.25 10.04 -39.61 -0.40 -1.65 16 23 C -0.17 -2.39 10.04 -39.53 -0.40 -2.79 16 24 C -0.08 -1.36 10.04 -39.61 -0.40 -1.76 16 25 C -0.14 -2.82 8.50 -39.37 -0.33 -3.16 16 26 H 0.09 1.91 8.14 -51.93 -0.42 1.48 16 27 H 0.09 1.67 8.14 -51.93 -0.42 1.25 16 28 H 0.10 2.27 7.73 -51.93 -0.40 1.87 16 29 H 0.07 0.65 8.14 -51.93 -0.42 0.23 16 30 H 0.10 1.13 7.04 -51.93 -0.37 0.76 16 31 H 0.08 0.60 8.14 -51.93 -0.42 0.18 16 32 H 0.10 0.93 7.71 -51.93 -0.40 0.53 16 33 H 0.13 0.82 7.73 -51.93 -0.40 0.41 16 34 H 0.14 0.36 8.14 -51.93 -0.42 -0.06 16 35 H 0.14 0.10 8.14 -51.93 -0.42 -0.33 16 36 H 0.33 4.65 8.90 45.56 0.41 5.06 16 37 H 0.33 4.36 8.90 45.56 0.41 4.76 16 38 H 0.09 0.52 8.14 -51.93 -0.42 0.09 16 39 H 0.09 0.22 8.14 -51.92 -0.42 -0.20 16 40 H 0.16 1.77 3.70 -126.37 -0.47 1.30 16 41 H 0.07 0.54 8.14 -51.93 -0.42 0.11 16 42 H 0.12 1.63 7.66 -52.49 -0.40 1.22 16 43 H 0.12 1.20 8.06 -52.48 -0.42 0.77 16 44 H 0.12 1.27 8.06 -52.49 -0.42 0.85 16 45 H 0.12 1.68 8.06 -52.48 -0.42 1.26 16 46 H 0.12 2.78 6.38 -52.49 -0.34 2.45 16 Total: -1.00 -45.19 380.77 -7.77 -52.96