REAL300018122311.mol2 57 1 O -0.70 -21.96 16.88 -20.22 -0.34 -22.31 16 2 C 0.49 14.16 8.05 36.00 0.29 14.45 16 3 O -0.71 -23.18 18.00 -20.23 -0.36 -23.55 16 4 C -0.18 -3.76 5.78 -27.89 -0.16 -3.93 16 5 C -0.09 -1.47 4.50 -26.74 -0.12 -1.59 16 6 C -0.12 -1.12 5.21 -26.74 -0.14 -1.26 16 7 C -0.12 -0.64 5.21 -26.74 -0.14 -0.78 16 8 C -0.12 -0.15 5.21 -26.73 -0.14 -0.29 16 9 C -0.12 0.27 5.21 -26.73 -0.14 0.13 16 10 C -0.12 0.75 5.21 -26.73 -0.14 0.61 16 11 C -0.12 1.28 5.21 -26.73 -0.14 1.14 16 12 C -0.12 1.86 5.21 -26.73 -0.14 1.72 16 13 C -0.15 3.29 5.44 -26.73 -0.15 3.15 16 14 C -0.01 0.28 5.37 -3.82 -0.02 0.26 16 15 N -0.51 15.63 1.74 -115.06 -0.20 15.43 16 16 H 0.43 -13.67 8.66 -39.29 -0.34 -14.01 16 17 H 0.43 -13.67 8.66 -39.29 -0.34 -14.01 16 18 C 0.05 -1.38 5.49 -4.98 -0.03 -1.41 16 19 C -0.16 3.86 5.36 -104.53 -0.56 3.29 16 20 C -0.05 1.08 9.68 -39.63 -0.38 0.70 16 21 C -0.11 1.56 9.75 -39.25 -0.38 1.18 16 22 C 0.32 -3.52 9.80 -38.72 -0.38 -3.90 16 23 O -0.63 0.71 17.25 -57.73 -1.00 -0.29 16 24 O -0.63 0.71 17.25 -57.73 -1.00 -0.29 16 25 C -0.11 1.56 9.75 -39.25 -0.38 1.18 16 26 C -0.05 1.08 9.68 -39.63 -0.38 0.70 16 27 H 0.05 1.03 8.14 -51.93 -0.42 0.60 16 28 H 0.05 1.03 8.14 -51.93 -0.42 0.61 16 29 H 0.06 0.97 8.10 -51.93 -0.42 0.55 16 30 H 0.06 0.97 8.10 -51.93 -0.42 0.55 16 31 H 0.05 0.47 8.14 -51.93 -0.42 0.05 16 32 H 0.05 0.47 8.14 -51.93 -0.42 0.05 16 33 H 0.06 0.34 8.14 -51.93 -0.42 -0.09 16 34 H 0.06 0.34 8.14 -51.92 -0.42 -0.09 16 35 H 0.06 0.07 8.14 -51.93 -0.42 -0.35 16 36 H 0.06 0.07 8.14 -51.93 -0.42 -0.35 16 37 H 0.06 -0.12 8.14 -51.93 -0.42 -0.54 16 38 H 0.06 -0.12 8.14 -51.93 -0.42 -0.54 16 39 H 0.06 -0.37 8.14 -51.93 -0.42 -0.79 16 40 H 0.06 -0.37 8.14 -51.93 -0.42 -0.79 16 41 H 0.07 -0.66 8.14 -51.93 -0.42 -1.08 16 42 H 0.07 -0.66 8.14 -51.93 -0.42 -1.08 16 43 H 0.07 -1.14 8.14 -51.93 -0.42 -1.56 16 44 H 0.07 -1.14 8.14 -51.93 -0.42 -1.56 16 45 H 0.09 -1.92 8.14 -51.93 -0.42 -2.35 16 46 H 0.09 -1.92 8.14 -51.93 -0.42 -2.35 16 47 H 0.13 -3.68 8.14 -51.93 -0.42 -4.10 16 48 H 0.13 -3.68 8.14 -51.93 -0.42 -4.11 16 49 H 0.15 -4.34 8.08 -51.93 -0.42 -4.76 16 50 H 0.15 -4.34 8.08 -51.93 -0.42 -4.76 16 51 H 0.17 -4.02 8.06 -52.49 -0.42 -4.44 16 52 H 0.18 -2.35 7.77 -52.49 -0.41 -2.76 16 53 H 0.35 -1.06 8.90 45.56 0.41 -0.66 16 54 H 0.35 -1.06 8.90 45.56 0.41 -0.66 16 55 H 0.18 -2.35 7.77 -52.49 -0.41 -2.76 16 56 H 0.17 -4.02 8.06 -52.48 -0.42 -4.44 16 Total: 0.00 -70.01 458.29 -11.29 -81.30