REAL300018503511.mol2 46 1 O -0.70 -6.18 14.88 -20.23 -0.30 -6.48 16 2 C 0.48 3.85 7.86 36.01 0.28 4.13 16 3 O -0.66 -9.92 18.00 -20.22 -0.36 -10.29 16 4 C -0.22 0.36 4.97 -27.88 -0.14 0.22 16 5 C 0.05 -0.41 2.07 -67.71 -0.14 -0.55 16 6 C -0.14 1.42 3.92 -26.74 -0.10 1.31 16 7 C -0.11 1.06 2.89 -89.50 -0.26 0.80 16 8 C -0.16 1.79 4.37 -25.03 -0.11 1.68 16 9 C -0.12 1.06 6.91 -24.70 -0.17 0.89 16 10 C -0.13 0.99 6.83 -25.07 -0.17 0.82 16 11 C -0.12 0.96 6.45 -25.61 -0.17 0.79 16 12 N -0.50 5.24 1.62 -107.99 -0.18 5.06 16 13 H 0.44 -3.31 6.17 -39.29 -0.24 -3.56 16 14 H 0.41 -5.41 4.45 -39.29 -0.17 -5.58 16 15 C 0.03 -0.32 4.01 -4.97 -0.02 -0.34 16 16 C -0.14 1.48 5.36 -104.52 -0.56 0.92 16 17 C -0.04 0.34 9.68 -39.63 -0.38 -0.04 16 18 C -0.10 0.49 9.75 -39.25 -0.38 0.11 16 19 C 0.33 -0.85 9.80 -38.73 -0.38 -1.23 16 20 O -0.65 -3.41 17.25 -57.73 -1.00 -4.40 16 21 O -0.64 -3.66 17.25 -57.73 -1.00 -4.66 16 22 C -0.11 0.69 9.75 -39.25 -0.38 0.30 16 23 C -0.06 0.63 9.59 -39.63 -0.38 0.25 16 24 H 0.08 -0.35 6.03 -51.93 -0.31 -0.67 16 25 H 0.11 -0.11 8.14 -51.93 -0.42 -0.53 16 26 H 0.14 -0.91 7.95 -51.93 -0.41 -1.32 16 27 H 0.11 -0.98 8.11 -51.93 -0.42 -1.40 16 28 H 0.08 -0.99 5.80 -51.93 -0.30 -1.30 16 29 H 0.09 -0.83 8.07 -51.93 -0.42 -1.25 16 30 H 0.07 -0.91 3.37 -51.93 -0.17 -1.08 16 31 H 0.07 -0.91 6.70 -51.93 -0.35 -1.26 16 32 H 0.08 -0.59 8.14 -51.93 -0.42 -1.02 16 33 H 0.07 -0.67 8.14 -51.93 -0.42 -1.09 16 34 H 0.07 -0.46 8.14 -51.93 -0.42 -0.89 16 35 H 0.07 -0.53 8.14 -51.93 -0.42 -0.96 16 36 H 0.07 -0.49 8.14 -51.93 -0.42 -0.91 16 37 H 0.07 -0.56 7.66 -51.93 -0.40 -0.95 16 38 H 0.14 -2.06 4.56 -51.93 -0.24 -2.30 16 39 H 0.15 -1.58 5.90 -51.93 -0.31 -1.89 16 40 H 0.18 -1.48 8.06 -52.49 -0.42 -1.90 16 41 H 0.18 -0.69 7.77 -52.49 -0.41 -1.09 16 42 H 0.34 1.01 8.90 45.56 0.41 1.42 16 43 H 0.34 1.11 8.90 45.56 0.41 1.51 16 44 H 0.18 -1.08 7.77 -52.49 -0.41 -1.49 16 45 H 0.17 -2.31 6.55 -52.49 -0.34 -2.65 16 Total: 0.00 -29.50 344.79 -8.16 -37.66