REAL300018586632.mol2 46 1 C -0.15 0.22 9.01 37.16 0.33 0.55 16 2 C -0.06 0.12 3.09 -91.77 -0.28 -0.16 16 3 C -0.14 0.41 9.01 37.16 0.33 0.74 16 4 C -0.06 0.08 4.78 -104.62 -0.50 -0.42 16 5 C -0.11 0.14 9.67 -39.58 -0.38 -0.25 16 6 C -0.08 0.11 9.67 -39.58 -0.38 -0.27 16 7 C -0.11 0.27 4.83 -104.62 -0.51 -0.24 16 8 C -0.01 0.02 2.52 -70.01 -0.18 -0.15 16 9 N -0.48 5.16 1.26 -110.45 -0.14 5.02 16 10 H 0.43 -4.49 6.60 -39.29 -0.26 -4.75 16 11 H 0.41 -6.24 8.59 -39.29 -0.34 -6.58 16 12 C 0.04 -0.44 5.12 -4.97 -0.03 -0.46 16 13 C -0.14 1.48 5.36 -104.53 -0.56 0.92 16 14 C -0.06 0.59 9.68 -39.63 -0.38 0.21 16 15 C -0.11 0.71 9.75 -39.25 -0.38 0.33 16 16 C 0.33 -0.94 9.80 -38.72 -0.38 -1.32 16 17 O -0.65 -3.56 17.25 -57.73 -1.00 -4.55 16 18 O -0.66 -3.44 17.25 -57.73 -1.00 -4.43 16 19 C -0.11 0.58 9.75 -39.25 -0.38 0.20 16 20 C -0.04 0.37 9.68 -39.63 -0.38 -0.01 16 21 C 0.50 2.78 6.70 36.00 0.24 3.02 16 22 O -0.67 -4.77 15.23 -20.22 -0.31 -5.07 16 23 O -0.62 -7.80 18.00 -20.23 -0.36 -8.16 16 24 C -0.12 0.34 9.30 -39.59 -0.37 -0.03 16 25 C -0.11 0.21 8.71 -39.58 -0.34 -0.14 16 26 H 0.06 -0.02 8.14 -51.93 -0.42 -0.45 16 27 H 0.06 -0.09 7.39 -51.92 -0.38 -0.48 16 28 H 0.06 -0.12 8.14 -51.93 -0.42 -0.54 16 29 H 0.08 -0.18 7.88 -51.93 -0.41 -0.59 16 30 H 0.06 -0.16 8.14 -51.93 -0.42 -0.58 16 31 H 0.06 -0.18 8.14 -51.93 -0.42 -0.60 16 32 H 0.06 -0.17 7.39 -51.93 -0.38 -0.56 16 33 H 0.13 -0.32 7.95 -52.48 -0.42 -0.74 16 34 H 0.13 -0.31 8.04 -52.49 -0.42 -0.73 16 35 H 0.14 -0.86 7.95 -51.93 -0.41 -1.27 16 36 H 0.14 -1.81 8.05 -51.93 -0.42 -2.23 16 37 H 0.17 -1.12 5.96 -51.93 -0.31 -1.43 16 38 H 0.17 -2.39 8.06 -52.49 -0.42 -2.81 16 39 H 0.18 -1.05 7.77 -52.49 -0.41 -1.46 16 40 H 0.34 1.07 8.90 45.56 0.41 1.47 16 41 H 0.34 1.02 8.90 45.56 0.41 1.43 16 42 H 0.18 -0.81 7.77 -52.48 -0.41 -1.22 16 43 H 0.18 -1.65 8.06 -52.49 -0.42 -2.08 16 44 H 0.12 -0.64 6.75 -52.49 -0.35 -1.00 16 45 H 0.13 -0.40 7.10 -52.49 -0.37 -0.77 16 Total: 0.00 -28.29 377.10 -8.67 -36.96