REAL300018560920.mol2 51 1 O -0.70 -21.06 16.88 -20.22 -0.34 -21.40 16 2 C 0.49 13.52 8.05 36.00 0.29 13.81 16 3 O -0.71 -22.35 18.00 -20.23 -0.36 -22.71 16 4 C -0.18 -3.48 5.78 -27.89 -0.16 -3.64 16 5 C -0.09 -1.29 4.50 -26.74 -0.12 -1.41 16 6 C -0.12 -0.82 5.21 -26.73 -0.14 -0.96 16 7 C -0.12 -0.25 5.21 -26.73 -0.14 -0.39 16 8 C -0.12 0.37 5.21 -26.73 -0.14 0.23 16 9 C -0.12 0.98 5.21 -26.73 -0.14 0.84 16 10 C -0.12 1.63 5.21 -26.73 -0.14 1.49 16 11 C -0.15 3.06 5.44 -26.73 -0.15 2.92 16 12 C -0.01 0.27 5.37 -3.82 -0.02 0.25 16 13 N -0.51 15.11 1.74 -115.06 -0.20 14.91 16 14 H 0.43 -13.24 8.66 -39.29 -0.34 -13.58 16 15 H 0.43 -13.24 8.66 -39.29 -0.34 -13.58 16 16 C 0.05 -1.34 5.49 -4.98 -0.03 -1.36 16 17 C -0.16 3.72 5.36 -104.53 -0.56 3.16 16 18 C -0.05 1.05 9.68 -39.63 -0.38 0.66 16 19 C -0.11 1.49 9.75 -39.25 -0.38 1.11 16 20 C 0.32 -3.33 9.80 -38.72 -0.38 -3.71 16 21 O -0.63 0.34 17.25 -57.73 -1.00 -0.65 16 22 O -0.63 0.34 17.25 -57.73 -1.00 -0.65 16 23 C -0.11 1.50 9.75 -39.25 -0.38 1.11 16 24 C -0.05 1.05 9.68 -39.63 -0.38 0.66 16 25 H 0.05 0.95 8.14 -51.93 -0.42 0.53 16 26 H 0.05 0.95 8.14 -51.93 -0.42 0.52 16 27 H 0.06 0.87 8.10 -51.93 -0.42 0.45 16 28 H 0.06 0.87 8.10 -51.92 -0.42 0.44 16 29 H 0.05 0.35 8.14 -51.93 -0.42 -0.08 16 30 H 0.05 0.35 8.14 -51.93 -0.42 -0.08 16 31 H 0.06 0.15 8.14 -51.93 -0.42 -0.27 16 32 H 0.06 0.15 8.14 -51.93 -0.42 -0.27 16 33 H 0.06 -0.18 8.14 -51.93 -0.42 -0.61 16 34 H 0.06 -0.18 8.14 -51.93 -0.42 -0.61 16 35 H 0.07 -0.50 8.14 -51.93 -0.42 -0.92 16 36 H 0.07 -0.50 8.14 -51.93 -0.42 -0.92 16 37 H 0.07 -1.00 8.14 -51.93 -0.42 -1.42 16 38 H 0.07 -1.00 8.14 -51.93 -0.42 -1.42 16 39 H 0.09 -1.79 8.14 -51.93 -0.42 -2.21 16 40 H 0.09 -1.79 8.14 -51.93 -0.42 -2.21 16 41 H 0.13 -3.52 8.14 -51.93 -0.42 -3.95 16 42 H 0.13 -3.53 8.14 -51.93 -0.42 -3.95 16 43 H 0.15 -4.21 8.08 -51.93 -0.42 -4.63 16 44 H 0.15 -4.21 8.08 -51.93 -0.42 -4.63 16 45 H 0.17 -3.91 8.06 -52.49 -0.42 -4.33 16 46 H 0.18 -2.25 7.77 -52.49 -0.41 -2.65 16 47 H 0.35 -0.87 8.90 45.56 0.41 -0.46 16 48 H 0.35 -0.87 8.90 45.56 0.41 -0.47 16 49 H 0.18 -2.25 7.77 -52.49 -0.41 -2.65 16 50 H 0.17 -3.91 8.06 -52.48 -0.42 -4.33 16 Total: 0.00 -67.81 415.30 -9.97 -77.78