REAL300018501515.mol2 49 1 O -0.68 -10.82 15.21 -20.23 -0.31 -11.13 16 2 C 0.50 6.75 7.62 36.00 0.27 7.02 16 3 O -0.68 -13.30 18.00 -20.23 -0.36 -13.66 16 4 C -0.21 -0.41 5.17 -27.88 -0.14 -0.55 16 5 C 0.05 -0.16 1.45 -67.71 -0.10 -0.26 16 6 H 0.15 -0.07 5.91 -51.93 -0.31 -0.38 16 7 C -0.14 0.22 4.15 -26.73 -0.11 0.11 16 8 C -0.09 0.25 2.06 -90.62 -0.19 0.06 16 9 C -0.12 0.06 4.97 -26.73 -0.13 -0.07 16 10 C -0.12 0.14 5.92 -26.73 -0.16 -0.02 16 11 C -0.12 0.08 5.92 -26.73 -0.16 -0.08 16 12 C -0.12 0.18 5.92 -26.73 -0.16 0.02 16 13 C -0.12 0.19 5.20 -26.73 -0.14 0.05 16 14 N -0.50 4.95 1.37 -107.99 -0.15 4.81 16 15 H 0.41 -5.62 8.63 -39.30 -0.34 -5.96 16 16 H 0.42 -4.23 5.10 -39.30 -0.20 -4.43 16 17 C 0.04 -0.40 4.28 -4.98 -0.02 -0.42 16 18 C -0.13 1.42 5.38 -104.30 -0.56 0.86 16 19 C -0.06 0.76 9.66 -39.63 -0.38 0.37 16 20 C -0.10 1.31 10.04 -39.48 -0.40 0.91 16 21 C -0.05 0.58 10.03 -39.63 -0.40 0.18 16 22 C -0.11 0.99 9.75 -39.25 -0.38 0.61 16 23 C 0.31 -2.42 9.71 -38.72 -0.38 -2.79 16 24 O -0.69 2.53 11.95 -57.73 -0.69 1.84 16 25 O -0.61 0.14 17.25 -57.73 -1.00 -0.86 16 26 H 0.08 0.00 8.14 -51.92 -0.42 -0.42 16 27 H 0.08 -0.04 6.21 -51.93 -0.32 -0.37 16 28 H 0.07 -0.29 8.14 -51.93 -0.42 -0.72 16 29 H 0.13 0.55 6.21 -51.93 -0.32 0.23 16 30 H 0.05 -0.29 6.41 -51.93 -0.33 -0.62 16 31 H 0.08 0.21 8.14 -51.93 -0.42 -0.22 16 32 H 0.07 -0.05 5.64 -51.93 -0.29 -0.34 16 33 H 0.06 -0.12 8.14 -51.93 -0.42 -0.55 16 34 H 0.06 -0.03 8.14 -51.93 -0.42 -0.46 16 35 H 0.06 -0.05 8.14 -51.93 -0.42 -0.47 16 36 H 0.06 0.03 8.14 -51.92 -0.42 -0.39 16 37 H 0.06 -0.12 8.14 -51.93 -0.42 -0.54 16 38 H 0.06 -0.08 8.14 -51.93 -0.42 -0.50 16 39 H 0.06 -0.16 8.14 -51.93 -0.42 -0.58 16 40 H 0.07 0.02 8.14 -51.93 -0.42 -0.40 16 41 H 0.17 -1.15 5.69 -51.93 -0.30 -1.45 16 42 H 0.14 -1.59 6.23 -51.93 -0.32 -1.92 16 43 H 0.18 -2.61 8.03 -52.48 -0.42 -3.03 16 44 H 0.17 -2.35 8.06 -52.49 -0.42 -2.77 16 45 H 0.17 -2.33 8.06 -52.48 -0.42 -2.75 16 46 H 0.18 -1.49 7.77 -52.48 -0.41 -1.89 16 47 H 0.35 -1.08 8.57 45.56 0.39 -0.69 16 48 H 0.35 -0.69 8.90 45.56 0.41 -0.28 16 Total: 0.00 -30.56 366.00 -8.79 -39.35