REAL300018567821.mol2 50 1 O -0.68 -15.08 17.97 -20.22 -0.36 -15.44 16 2 C 0.53 9.49 7.66 36.01 0.28 9.77 16 3 O -0.67 -14.36 14.71 -20.22 -0.30 -14.66 16 4 C -0.16 -1.34 1.13 -159.06 -0.18 -1.52 16 5 C -0.13 -0.37 7.16 -31.70 -0.23 -0.60 16 6 C 0.01 -0.03 2.14 -96.14 -0.21 -0.24 16 7 C 0.05 -0.58 5.68 -3.82 -0.02 -0.61 16 8 N -0.50 7.29 1.59 -115.06 -0.18 7.10 16 9 H 0.44 -5.56 7.06 -39.29 -0.28 -5.84 16 10 H 0.42 -7.02 8.45 -39.29 -0.33 -7.35 16 11 C 0.04 -0.69 4.64 -4.97 -0.02 -0.72 16 12 C -0.14 1.96 5.38 -104.29 -0.56 1.39 16 13 C -0.06 0.91 9.66 -39.63 -0.38 0.53 16 14 C -0.10 1.53 10.04 -39.48 -0.40 1.14 16 15 C -0.04 0.59 10.03 -39.63 -0.40 0.19 16 16 C -0.11 1.19 9.75 -39.25 -0.38 0.81 16 17 C 0.31 -3.19 9.76 -38.72 -0.38 -3.57 16 18 O -0.58 1.00 17.25 -57.73 -1.00 0.00 16 19 O -0.73 4.61 12.37 -57.73 -0.71 3.90 16 20 C -0.13 -0.25 7.41 -30.84 -0.23 -0.48 16 21 O -0.37 0.37 11.22 -35.23 -0.40 -0.03 16 22 C 0.14 0.74 0.22 -90.38 -0.02 0.72 16 23 C -0.15 -0.87 5.06 -27.19 -0.14 -1.00 16 24 C 0.07 0.25 6.85 37.34 0.26 0.51 16 25 O -0.38 -2.49 10.74 -35.23 -0.38 -2.87 16 26 C 0.07 0.30 6.86 37.34 0.26 0.55 16 27 C -0.15 -0.99 5.02 -27.19 -0.14 -1.13 16 28 H 0.08 0.23 6.46 -51.93 -0.34 -0.10 16 29 H 0.10 0.30 7.80 -51.93 -0.40 -0.10 16 30 H 0.13 -1.86 8.14 -51.93 -0.42 -2.29 16 31 H 0.15 -1.72 8.14 -51.93 -0.42 -2.14 16 32 H 0.14 -2.67 8.00 -51.93 -0.42 -3.09 16 33 H 0.17 -2.24 5.77 -51.93 -0.30 -2.54 16 34 H 0.18 -3.22 8.03 -52.48 -0.42 -3.65 16 35 H 0.17 -2.70 8.06 -52.49 -0.42 -3.12 16 36 H 0.18 -2.63 8.06 -52.48 -0.42 -3.05 16 37 H 0.18 -1.79 7.77 -52.49 -0.41 -2.20 16 38 H 0.36 -1.24 8.90 45.56 0.41 -0.84 16 39 H 0.35 -1.91 8.90 45.56 0.41 -1.51 16 40 H 0.11 0.26 7.80 -51.93 -0.41 -0.14 16 41 H 0.07 0.08 7.28 -51.93 -0.38 -0.30 16 42 H 0.11 1.20 6.81 -51.93 -0.35 0.85 16 43 H 0.07 0.22 7.21 -51.93 -0.37 -0.15 16 44 H 0.04 0.04 8.14 -51.93 -0.42 -0.38 16 45 H 0.09 0.24 8.14 -51.93 -0.42 -0.18 16 46 H 0.04 0.09 8.14 -51.93 -0.42 -0.33 16 47 H 0.09 0.32 8.14 -51.93 -0.42 -0.10 16 48 H 0.07 0.35 6.53 -51.93 -0.34 0.01 16 49 H 0.12 1.33 6.47 -51.93 -0.34 1.00 16 Total: 0.00 -39.91 384.53 -8.08 -47.99