REAL300018405958.mol2 37 1 O -0.62 -6.62 18.00 -20.22 -0.36 -6.98 16 2 C 0.50 2.00 6.08 36.00 0.22 2.22 16 3 O -0.66 -4.29 16.46 -20.23 -0.33 -4.63 16 4 C -0.01 0.04 2.52 -70.02 -0.18 -0.13 16 5 N -0.49 5.92 1.27 -110.46 -0.14 5.78 16 6 H 0.41 -6.94 8.59 -39.29 -0.34 -7.28 16 7 H 0.43 -5.02 6.47 -39.29 -0.25 -5.28 16 8 C 0.05 -0.58 5.21 -4.98 -0.03 -0.61 16 9 C -0.15 1.69 5.36 -104.53 -0.56 1.13 16 10 C -0.05 0.63 9.68 -39.63 -0.38 0.25 16 11 C -0.11 0.79 9.75 -39.25 -0.38 0.41 16 12 C 0.33 -1.17 9.80 -38.72 -0.38 -1.54 16 13 O -0.65 -3.07 17.25 -57.73 -1.00 -4.07 16 14 O -0.64 -3.21 17.25 -57.73 -1.00 -4.20 16 15 C -0.11 0.65 9.75 -39.25 -0.38 0.27 16 16 C -0.04 0.42 9.68 -39.63 -0.38 0.04 16 17 C -0.08 0.34 4.83 -104.62 -0.51 -0.17 16 18 C -0.08 0.29 9.67 -39.58 -0.38 -0.09 16 19 C -0.07 0.19 9.79 -39.56 -0.39 -0.20 16 20 C -0.08 0.09 6.23 -39.48 -0.25 -0.16 16 21 Br -0.01 0.00 32.53 -68.01 -2.21 -2.21 16 22 C -0.01 0.01 6.32 -39.47 -0.25 -0.24 16 23 Cl -0.03 0.01 27.75 -51.86 -1.44 -1.42 16 24 C -0.11 0.38 9.09 -39.55 -0.36 0.02 16 25 H 0.15 -1.23 7.95 -51.93 -0.41 -1.64 16 26 H 0.16 -1.38 6.67 -51.93 -0.35 -1.72 16 27 H 0.14 -2.13 8.05 -51.93 -0.42 -2.55 16 28 H 0.17 -2.59 8.06 -52.49 -0.42 -3.01 16 29 H 0.18 -1.17 7.77 -52.49 -0.41 -1.58 16 30 H 0.34 0.86 8.90 45.56 0.41 1.26 16 31 H 0.34 0.90 8.90 45.56 0.41 1.31 16 32 H 0.18 -0.93 7.77 -52.49 -0.41 -1.33 16 33 H 0.18 -1.85 8.06 -52.48 -0.42 -2.27 16 34 H 0.15 -0.82 8.04 -52.49 -0.42 -1.24 16 35 H 0.15 -0.63 8.06 -52.48 -0.42 -1.06 16 36 H 0.14 -0.83 6.73 -52.48 -0.35 -1.18 16 Total: 0.00 -29.24 354.30 -9.55 -38.78