REAL300009850702.mol2 47 1 O -0.68 -21.90 16.94 -20.23 -0.34 -22.24 16 2 C 0.51 14.91 6.38 36.00 0.23 15.14 16 3 O -0.68 -21.75 17.75 -20.22 -0.36 -22.10 16 4 C -0.14 -3.01 0.65 -157.42 -0.10 -3.11 16 5 C 0.58 11.21 2.39 -10.99 -0.03 11.18 16 6 O -0.52 -10.73 9.80 5.55 0.05 -10.67 16 7 N -0.67 -10.54 3.30 -9.88 -0.03 -10.57 16 8 C 0.21 2.73 6.23 -83.76 -0.52 2.21 16 9 C -0.16 -1.56 9.69 -38.96 -0.38 -1.93 16 10 C -0.03 -0.24 5.74 -106.77 -0.61 -0.85 16 11 C -0.06 -0.39 9.73 -39.53 -0.38 -0.78 16 12 C -0.11 -1.00 9.65 -39.64 -0.38 -1.38 16 13 C 0.32 3.73 9.78 -38.67 -0.38 3.35 16 14 O -0.69 -12.28 17.19 -57.73 -0.99 -13.27 16 15 O -0.69 -12.07 17.20 -57.73 -0.99 -13.06 16 16 C -0.08 -0.78 9.49 -38.78 -0.37 -1.15 16 17 C -0.04 -0.43 5.74 -106.82 -0.61 -1.04 16 18 C -0.08 -0.86 9.74 -39.48 -0.38 -1.24 16 19 C -0.09 -1.27 8.59 -39.75 -0.34 -1.61 16 20 C -0.08 -1.56 4.51 -27.44 -0.12 -1.68 16 21 C -0.12 -2.07 5.07 -25.62 -0.13 -2.20 16 22 C -0.13 -1.92 5.14 -27.44 -0.14 -2.06 16 23 C -0.12 -1.52 5.61 -27.35 -0.15 -1.68 16 24 C -0.14 -1.82 5.07 -29.60 -0.15 -1.97 16 25 C -0.10 -1.71 3.71 -29.60 -0.11 -1.82 16 26 H 0.42 5.87 7.13 -40.82 -0.29 5.58 16 27 H 0.14 0.98 8.06 -52.49 -0.42 0.56 16 28 H 0.17 0.56 8.06 -52.48 -0.42 0.14 16 29 H 0.17 1.38 7.73 -52.48 -0.41 0.97 16 30 H 0.33 4.94 8.90 45.56 0.41 5.34 16 31 H 0.33 4.85 8.90 45.56 0.41 5.25 16 32 H 0.18 1.74 7.73 -52.49 -0.41 1.33 16 33 H 0.14 1.23 8.06 -52.48 -0.42 0.81 16 34 H 0.16 2.64 6.19 -52.49 -0.32 2.32 16 35 H 0.06 1.40 7.71 -51.93 -0.40 1.00 16 36 H 0.06 1.19 6.63 -51.93 -0.34 0.85 16 37 H 0.05 0.69 8.14 -51.93 -0.42 0.27 16 38 H 0.09 1.64 6.06 -51.93 -0.31 1.33 16 39 H 0.05 0.69 8.14 -51.93 -0.42 0.27 16 40 H 0.07 1.05 4.13 -51.93 -0.21 0.84 16 41 H 0.07 0.90 6.98 -51.92 -0.36 0.54 16 42 H 0.06 0.63 8.14 -51.93 -0.42 0.21 16 43 H 0.06 0.67 8.14 -51.93 -0.42 0.25 16 44 H 0.07 0.83 4.48 -51.93 -0.23 0.60 16 45 H 0.08 1.34 7.47 -51.93 -0.39 0.96 16 46 H 0.06 1.02 7.63 -51.93 -0.40 0.63 16 Total: -1.00 -40.55 359.51 -8.55 -49.10