REAL300018500228.mol2 49 1 O -0.67 -9.38 15.08 -20.23 -0.31 -9.69 16 2 C 0.48 5.88 7.76 36.01 0.28 6.16 16 3 O -0.67 -12.85 18.00 -20.23 -0.36 -13.22 16 4 C -0.22 -0.50 5.34 -27.88 -0.15 -0.65 16 5 C 0.05 -0.21 1.43 -67.71 -0.10 -0.31 16 6 H 0.14 -0.26 6.03 -51.93 -0.31 -0.58 16 7 C -0.14 1.03 4.04 -26.74 -0.11 0.92 16 8 C -0.09 0.35 2.06 -90.63 -0.19 0.16 16 9 C -0.12 0.35 4.98 -26.73 -0.13 0.21 16 10 C -0.12 0.15 5.92 -26.73 -0.16 -0.01 16 11 C -0.12 0.22 5.92 -26.73 -0.16 0.07 16 12 C -0.12 0.29 5.92 -26.70 -0.16 0.13 16 13 C -0.11 0.46 5.21 -26.71 -0.14 0.32 16 14 N -0.49 3.74 1.58 -108.00 -0.17 3.57 16 15 H 0.44 -1.24 6.15 -39.29 -0.24 -1.48 16 16 H 0.41 -4.83 8.63 -39.29 -0.34 -5.17 16 17 C 0.04 -0.36 4.89 -4.98 -0.02 -0.38 16 18 C -0.15 1.36 5.37 -104.29 -0.56 0.80 16 19 C -0.07 0.72 9.66 -39.63 -0.38 0.34 16 20 C -0.12 1.17 10.04 -39.48 -0.40 0.77 16 21 C -0.06 0.55 10.03 -39.63 -0.40 0.15 16 22 C -0.12 0.81 9.85 -39.25 -0.39 0.42 16 23 C 0.14 -0.77 8.82 -38.72 -0.34 -1.11 16 24 O -0.44 -2.49 17.89 -57.73 -1.03 -3.52 16 25 O -0.50 -1.99 16.76 -57.73 -0.97 -2.96 16 26 H 0.08 0.01 8.14 -51.93 -0.42 -0.42 16 27 H 0.11 0.30 6.18 -51.93 -0.32 -0.02 16 28 H 0.08 -0.73 8.14 -51.93 -0.42 -1.16 16 29 H 0.08 -0.80 6.32 -51.93 -0.33 -1.13 16 30 H 0.09 -0.18 6.19 -51.93 -0.32 -0.50 16 31 H 0.06 -0.26 8.14 -51.93 -0.42 -0.69 16 32 H 0.07 -0.10 6.49 -51.93 -0.34 -0.44 16 33 H 0.07 0.00 8.14 -51.93 -0.42 -0.43 16 34 H 0.06 -0.06 8.14 -51.93 -0.42 -0.48 16 35 H 0.06 -0.08 8.14 -51.93 -0.42 -0.51 16 36 H 0.06 -0.13 8.14 -51.93 -0.42 -0.56 16 37 H 0.06 -0.10 8.14 -51.93 -0.42 -0.52 16 38 H 0.06 -0.16 8.14 -51.93 -0.42 -0.58 16 39 H 0.06 -0.28 8.14 -51.93 -0.42 -0.70 16 40 H 0.06 -0.30 8.14 -51.93 -0.42 -0.72 16 41 H 0.14 -1.95 6.30 -51.93 -0.33 -2.27 16 42 H 0.15 -1.22 4.61 -51.93 -0.24 -1.46 16 43 H 0.16 -2.17 8.02 -52.49 -0.42 -2.59 16 44 H 0.15 -1.74 8.06 -52.48 -0.42 -2.17 16 45 H 0.16 -1.66 8.06 -52.49 -0.42 -2.08 16 46 H 0.16 -1.19 8.06 -52.48 -0.42 -1.61 16 47 H 0.33 -0.02 8.81 45.56 0.40 0.38 16 48 H 0.31 -0.64 6.74 45.56 0.31 -0.33 16 Total: 0.00 -31.28 370.80 -9.15 -40.43