REAL300009850726.mol2 47 1 O -0.68 -19.39 12.64 -20.22 -0.26 -19.65 16 2 C 0.51 13.95 5.01 36.01 0.18 14.13 16 3 O -0.67 -20.94 17.74 -20.23 -0.36 -21.30 16 4 C -0.14 -3.04 0.42 -157.42 -0.07 -3.10 16 5 C 0.57 10.74 2.83 -10.98 -0.03 10.70 16 6 O -0.53 -10.75 10.13 5.56 0.06 -10.70 16 7 N -0.61 -9.19 1.31 -172.52 -0.23 -9.42 16 8 C 0.09 1.25 3.30 -2.93 -0.01 1.24 16 9 C -0.11 -1.28 5.71 -27.29 -0.16 -1.44 16 10 C -0.20 -3.26 5.14 -28.02 -0.14 -3.41 16 11 C 0.41 6.26 5.34 -29.79 -0.16 6.10 16 12 O -0.75 -17.68 16.55 -57.73 -0.96 -18.64 16 13 O -0.73 -17.51 16.25 -57.73 -0.94 -18.45 16 14 C -0.20 -2.98 4.85 -28.58 -0.14 -3.12 16 15 C 0.15 1.77 5.37 -4.08 -0.02 1.74 16 16 C -0.08 -1.61 4.53 -27.44 -0.12 -1.74 16 17 C -0.11 -1.96 5.06 -25.62 -0.13 -2.09 16 18 C -0.13 -2.09 5.02 -27.43 -0.14 -2.22 16 19 C -0.12 -1.61 5.61 -27.34 -0.15 -1.77 16 20 C -0.13 -1.71 4.74 -29.60 -0.14 -1.85 16 21 C -0.11 -1.81 3.60 -29.60 -0.11 -1.92 16 22 H 0.07 0.69 7.12 -51.93 -0.37 0.32 16 23 H 0.12 2.21 2.80 -51.93 -0.15 2.06 16 24 H 0.11 1.17 8.14 -51.93 -0.42 0.75 16 25 H 0.06 0.51 7.32 -51.93 -0.38 0.13 16 26 H 0.16 3.46 4.16 -51.93 -0.22 3.25 16 27 H 0.13 2.32 6.83 -51.93 -0.35 1.96 16 28 H 0.12 1.24 7.35 -51.93 -0.38 0.85 16 29 H 0.31 6.79 8.90 45.56 0.41 7.19 16 30 H 0.32 6.84 8.90 45.56 0.41 7.25 16 31 H 0.12 1.66 7.60 -51.93 -0.39 1.27 16 32 H 0.12 2.24 8.14 -51.93 -0.42 1.81 16 33 H 0.09 0.62 8.06 -51.93 -0.42 0.20 16 34 H 0.12 1.38 7.32 -51.93 -0.38 1.00 16 35 H 0.06 1.34 7.71 -51.93 -0.40 0.94 16 36 H 0.06 1.15 6.63 -51.93 -0.34 0.81 16 37 H 0.03 0.53 8.14 -51.93 -0.42 0.11 16 38 H 0.09 1.80 5.99 -51.94 -0.31 1.49 16 39 H 0.04 0.62 8.14 -51.93 -0.42 0.19 16 40 H 0.08 1.33 3.88 -52.15 -0.20 1.13 16 41 H 0.06 0.91 6.98 -51.93 -0.36 0.55 16 42 H 0.05 0.63 8.14 -51.93 -0.42 0.21 16 43 H 0.06 0.66 8.14 -51.93 -0.42 0.23 16 44 H 0.06 0.81 4.74 -51.93 -0.25 0.56 16 45 H 0.07 1.25 7.47 -51.93 -0.39 0.87 16 46 H 0.07 1.15 4.87 -51.93 -0.25 0.90 16 Total: -1.00 -39.53 314.64 -6.55 -46.08