REAL300018567822.mol2 50 1 O -0.68 -14.01 17.71 -20.23 -0.36 -14.37 16 2 C 0.52 8.53 7.27 36.01 0.26 8.80 16 3 O -0.67 -13.59 16.36 -20.23 -0.33 -13.92 16 4 C -0.16 -0.89 1.15 -159.05 -0.18 -1.07 16 5 C -0.13 -0.01 6.91 -31.72 -0.22 -0.23 16 6 C 0.00 -0.03 2.17 -96.13 -0.21 -0.23 16 7 C 0.05 -0.79 5.68 -3.82 -0.02 -0.81 16 8 N -0.51 10.88 1.74 -115.05 -0.20 10.68 16 9 H 0.43 -9.56 8.67 -39.29 -0.34 -9.90 16 10 H 0.44 -9.32 8.32 -39.29 -0.33 -9.65 16 11 C 0.05 -1.03 5.50 -4.97 -0.03 -1.06 16 12 C -0.16 2.89 5.36 -104.52 -0.56 2.33 16 13 C -0.05 0.81 9.68 -39.63 -0.38 0.42 16 14 C -0.11 1.13 9.75 -39.25 -0.38 0.74 16 15 C 0.32 -2.29 9.80 -38.72 -0.38 -2.67 16 16 O -0.64 -1.37 17.25 -57.73 -1.00 -2.37 16 17 O -0.64 -1.38 17.25 -57.73 -1.00 -2.37 16 18 C -0.11 1.12 9.75 -39.25 -0.38 0.74 16 19 C -0.05 0.80 9.68 -39.63 -0.38 0.42 16 20 C -0.14 0.28 7.43 -30.86 -0.23 0.05 16 21 O -0.37 1.54 11.08 -35.23 -0.39 1.15 16 22 C 0.14 0.39 0.39 -90.39 -0.04 0.35 16 23 C -0.15 -0.65 5.04 -27.20 -0.14 -0.79 16 24 C 0.07 0.17 6.86 37.33 0.26 0.43 16 25 O -0.38 -1.90 10.74 -35.23 -0.38 -2.27 16 26 C 0.07 0.14 6.85 37.34 0.26 0.39 16 27 C -0.15 -0.58 4.99 -27.19 -0.14 -0.71 16 28 H 0.10 0.00 7.80 -51.93 -0.40 -0.41 16 29 H 0.08 0.07 6.46 -51.93 -0.34 -0.26 16 30 H 0.15 -2.83 8.14 -51.93 -0.42 -3.25 16 31 H 0.14 -2.60 8.14 -51.93 -0.42 -3.02 16 32 H 0.15 -3.51 8.08 -51.93 -0.42 -3.93 16 33 H 0.15 -3.55 8.08 -51.93 -0.42 -3.97 16 34 H 0.17 -3.24 8.06 -52.49 -0.42 -3.67 16 35 H 0.18 -1.67 7.77 -52.49 -0.41 -2.07 16 36 H 0.35 0.02 8.90 45.56 0.41 0.42 16 37 H 0.35 0.02 8.90 45.56 0.41 0.42 16 38 H 0.18 -1.66 7.77 -52.49 -0.41 -2.07 16 39 H 0.17 -3.19 8.06 -52.49 -0.42 -3.62 16 40 H 0.07 -0.22 7.28 -51.93 -0.38 -0.59 16 41 H 0.11 -0.29 7.80 -51.93 -0.41 -0.70 16 42 H 0.10 0.86 7.80 -51.93 -0.40 0.45 16 43 H 0.08 0.23 6.54 -51.93 -0.34 -0.11 16 44 H 0.05 0.01 8.14 -51.93 -0.42 -0.41 16 45 H 0.10 0.17 8.14 -51.93 -0.42 -0.26 16 46 H 0.04 -0.03 8.14 -51.93 -0.42 -0.45 16 47 H 0.09 0.14 8.14 -51.93 -0.42 -0.29 16 48 H 0.07 0.10 7.21 -51.93 -0.37 -0.27 16 49 H 0.12 1.08 6.61 -51.93 -0.34 0.73 16 Total: 0.00 -48.80 395.37 -8.47 -57.27