REAL300018693550.mol2 45 1 O -0.68 -16.09 17.91 -20.22 -0.36 -16.45 16 2 C 0.51 9.89 7.03 36.01 0.25 10.14 16 3 O -0.68 -15.53 17.05 -20.23 -0.34 -15.88 16 4 C -0.15 -1.36 1.04 -152.81 -0.16 -1.52 16 5 C 0.08 0.46 6.12 38.10 0.23 0.70 16 6 O -0.39 0.26 10.39 -35.23 -0.37 -0.11 16 7 C 0.06 -0.22 1.21 -88.99 -0.11 -0.33 16 8 C 0.03 -0.27 5.11 -3.83 -0.02 -0.29 16 9 N -0.50 7.30 1.49 -115.06 -0.17 7.13 16 10 H 0.42 -6.99 8.49 -39.29 -0.33 -7.33 16 11 H 0.43 -5.76 5.04 -39.29 -0.20 -5.96 16 12 C 0.04 -0.68 4.64 -4.97 -0.02 -0.70 16 13 C -0.14 1.96 5.38 -104.29 -0.56 1.40 16 14 C -0.06 0.89 9.66 -39.63 -0.38 0.51 16 15 C -0.10 1.54 10.04 -39.49 -0.40 1.14 16 16 C -0.04 0.61 10.03 -39.63 -0.40 0.21 16 17 C -0.11 1.24 9.75 -39.25 -0.38 0.86 16 18 C 0.32 -3.35 9.76 -38.73 -0.38 -3.73 16 19 O -0.73 5.21 12.33 -57.73 -0.71 4.50 16 20 O -0.59 1.50 17.25 -57.73 -1.00 0.51 16 21 C -0.10 -0.37 4.86 -24.20 -0.12 -0.49 16 22 C -0.13 0.48 4.94 -26.27 -0.13 0.35 16 23 C -0.12 -0.11 5.52 -26.71 -0.15 -0.26 16 24 C -0.11 -0.70 4.99 -26.17 -0.13 -0.83 16 25 H 0.07 0.59 7.99 -51.93 -0.41 0.18 16 26 H 0.08 0.45 6.72 -51.93 -0.35 0.10 16 27 H 0.15 -1.68 8.14 -51.93 -0.42 -2.10 16 28 H 0.14 -1.69 8.14 -51.93 -0.42 -2.11 16 29 H 0.17 -2.22 5.80 -51.93 -0.30 -2.52 16 30 H 0.14 -2.62 8.00 -51.93 -0.42 -3.03 16 31 H 0.18 -3.23 8.03 -52.48 -0.42 -3.65 16 32 H 0.17 -2.74 8.06 -52.49 -0.42 -3.16 16 33 H 0.18 -2.70 8.06 -52.49 -0.42 -3.13 16 34 H 0.18 -1.90 7.77 -52.49 -0.41 -2.31 16 35 H 0.35 -2.29 8.90 45.56 0.41 -1.89 16 36 H 0.35 -1.59 8.90 45.56 0.41 -1.19 16 37 H 0.09 0.29 7.71 -51.93 -0.40 -0.11 16 38 H 0.09 0.45 7.89 -51.93 -0.41 0.04 16 39 H 0.05 -0.36 6.39 -51.93 -0.33 -0.69 16 40 H 0.08 -0.33 8.00 -51.93 -0.42 -0.74 16 41 H 0.07 0.01 8.14 -51.93 -0.42 -0.42 16 42 H 0.07 0.09 5.99 -51.93 -0.31 -0.22 16 43 H 0.06 0.43 7.95 -51.93 -0.41 0.01 16 44 H 0.08 0.73 8.08 -51.93 -0.42 0.31 16 Total: 0.00 -40.44 344.71 -7.45 -47.89