REAL300009850717.mol2 47 1 C -0.12 -2.30 6.72 37.16 0.25 -2.05 16 2 C -0.12 -2.62 0.82 -156.82 -0.13 -2.74 16 3 C -0.12 -2.26 8.27 37.16 0.31 -1.95 16 4 C 0.51 15.31 6.80 36.00 0.24 15.56 16 5 O -0.69 -23.06 17.07 -20.23 -0.35 -23.40 16 6 O -0.68 -22.32 15.44 -20.22 -0.31 -22.63 16 7 C 0.01 0.11 4.67 -104.53 -0.49 -0.38 16 8 C -0.09 -1.72 7.91 -39.64 -0.31 -2.03 16 9 C -0.06 -0.98 9.60 -39.18 -0.38 -1.35 16 10 C -0.17 -2.44 5.87 -104.97 -0.62 -3.06 16 11 C 0.57 7.14 7.61 -12.35 -0.09 7.05 16 12 O -0.52 -7.71 13.74 5.32 0.07 -7.63 16 13 N -0.68 -5.70 5.25 -10.75 -0.06 -5.76 16 14 C 0.19 1.50 6.28 -83.78 -0.53 0.97 16 15 C -0.15 -0.78 9.69 -38.95 -0.38 -1.16 16 16 C -0.03 -0.16 5.74 -106.77 -0.61 -0.78 16 17 C -0.06 -0.22 9.73 -39.52 -0.38 -0.60 16 18 C -0.11 -0.68 9.65 -39.64 -0.38 -1.06 16 19 C 0.32 2.90 9.78 -38.66 -0.38 2.53 16 20 O -0.68 -10.47 17.20 -57.73 -0.99 -11.46 16 21 O -0.68 -10.65 17.19 -57.73 -0.99 -11.64 16 22 C -0.08 -0.58 9.49 -38.78 -0.37 -0.95 16 23 C -0.04 -0.25 5.74 -106.82 -0.61 -0.87 16 24 C -0.07 -0.50 9.74 -39.48 -0.38 -0.88 16 25 C -0.10 -0.83 8.58 -39.75 -0.34 -1.17 16 26 C -0.09 -1.17 9.54 -39.18 -0.37 -1.54 16 27 C -0.14 -2.24 8.96 -39.64 -0.36 -2.59 16 28 H 0.04 0.62 7.50 -51.93 -0.39 0.24 16 29 H 0.06 1.31 7.85 -51.93 -0.41 0.90 16 30 H 0.05 0.97 7.51 -51.93 -0.39 0.58 16 31 H 0.05 1.06 7.38 -51.93 -0.38 0.68 16 32 H 0.06 1.14 8.14 -51.93 -0.42 0.72 16 33 H 0.04 0.73 8.14 -51.93 -0.42 0.31 16 34 H 0.14 2.95 6.75 -52.48 -0.35 2.60 16 35 H 0.13 2.06 7.65 -52.49 -0.40 1.66 16 36 H 0.42 2.35 6.86 -40.82 -0.28 2.07 16 37 H 0.15 0.37 8.06 -52.49 -0.42 -0.05 16 38 H 0.17 0.07 8.06 -52.49 -0.42 -0.36 16 39 H 0.17 0.97 7.73 -52.49 -0.41 0.56 16 40 H 0.33 4.20 8.90 45.56 0.41 4.61 16 41 H 0.33 4.27 8.90 45.56 0.41 4.68 16 42 H 0.18 1.24 7.73 -52.49 -0.41 0.84 16 43 H 0.15 0.67 8.06 -52.49 -0.42 0.25 16 44 H 0.16 1.57 6.18 -52.49 -0.32 1.24 16 45 H 0.12 0.95 6.41 -52.49 -0.34 0.61 16 46 H 0.13 1.83 5.87 -52.48 -0.31 1.53 16 Total: -1.00 -43.31 390.78 -8.74 -52.05