REAL300018049863.mol2 48 1 O -0.70 -24.67 17.24 -20.60 -0.36 -25.02 16 2 C 0.52 16.70 7.99 34.30 0.27 16.97 16 3 O -0.64 -21.72 15.91 -20.60 -0.33 -22.04 16 4 C -0.08 -1.94 5.89 -104.86 -0.62 -2.56 16 5 C -0.12 -2.66 9.43 -38.93 -0.37 -3.03 16 6 C 0.19 3.38 6.65 -83.74 -0.56 2.82 16 7 N -0.63 -9.08 4.96 -59.80 -0.30 -9.38 16 8 C 0.16 1.92 4.07 -5.19 -0.02 1.90 16 9 C -0.11 -1.14 5.28 -104.29 -0.55 -1.70 16 10 C -0.08 -0.48 9.66 -39.63 -0.38 -0.87 16 11 C -0.13 -0.63 10.04 -39.48 -0.40 -1.03 16 12 C -0.08 -0.47 10.03 -39.63 -0.40 -0.87 16 13 C -0.12 -1.26 9.75 -39.25 -0.38 -1.65 16 14 C 0.29 3.98 9.76 -38.72 -0.38 3.60 16 15 O -0.70 -14.48 13.35 -57.73 -0.77 -15.25 16 16 O -0.76 -17.34 17.25 -57.73 -1.00 -18.33 16 17 C -0.16 -2.55 9.30 -39.34 -0.37 -2.92 16 18 C -0.14 -2.39 8.66 -39.45 -0.34 -2.73 16 19 C 0.12 2.51 4.68 -83.53 -0.39 2.12 16 20 N -0.46 -9.76 2.54 -170.87 -0.43 -10.20 16 21 C 0.07 1.30 5.16 -3.83 -0.02 1.28 16 22 C -0.12 -1.84 6.09 -26.65 -0.16 -2.01 16 23 C -0.12 -1.61 6.00 -26.61 -0.16 -1.77 16 24 C -0.12 -1.78 6.09 -26.65 -0.16 -1.95 16 25 C 0.07 1.22 5.11 -3.83 -0.02 1.20 16 26 H 0.14 3.08 7.65 -52.49 -0.40 2.68 16 27 H 0.41 5.77 8.47 -40.82 -0.35 5.42 16 28 H 0.12 1.82 5.58 -51.93 -0.29 1.53 16 29 H 0.09 0.76 7.80 -51.93 -0.41 0.35 16 30 H 0.16 0.60 8.03 -52.49 -0.42 0.17 16 31 H 0.15 0.30 8.06 -52.49 -0.42 -0.13 16 32 H 0.15 0.45 8.06 -52.49 -0.42 0.03 16 33 H 0.16 1.83 7.77 -52.48 -0.41 1.42 16 34 H 0.31 6.52 8.90 45.56 0.41 6.93 16 35 H 0.31 6.67 8.90 45.56 0.41 7.08 16 36 H 0.12 1.58 6.70 -52.49 -0.35 1.23 16 37 H 0.12 1.78 7.10 -52.49 -0.37 1.41 16 38 H 0.02 0.36 7.53 -51.93 -0.39 -0.03 16 39 H 0.07 1.44 8.10 -51.93 -0.42 1.02 16 40 H 0.08 1.50 8.14 -51.93 -0.42 1.07 16 41 H 0.06 0.80 8.14 -51.93 -0.42 0.38 16 42 H 0.06 0.73 8.14 -51.93 -0.42 0.31 16 43 H 0.05 0.65 8.14 -51.93 -0.42 0.23 16 44 H 0.08 1.44 8.14 -51.93 -0.42 1.02 16 45 H 0.06 0.76 8.14 -51.93 -0.42 0.33 16 46 H 0.07 1.31 8.10 -51.93 -0.42 0.89 16 47 H 0.02 0.34 7.32 -51.93 -0.38 -0.04 16 Total: -1.00 -44.34 383.84 -9.97 -54.32