REAL300009850787.mol2 47 1 C -0.14 -2.84 8.95 37.15 0.33 -2.51 16 2 C -0.06 -1.34 2.07 -90.62 -0.19 -1.53 16 3 C -0.15 -2.86 8.87 37.16 0.33 -2.53 16 4 C -0.18 -4.19 1.38 -92.92 -0.13 -4.32 16 5 C 0.51 15.02 4.02 36.01 0.14 15.17 16 6 O -0.69 -21.33 16.43 -20.22 -0.33 -21.66 16 7 O -0.68 -22.69 17.70 -20.22 -0.36 -23.05 16 8 C 0.55 12.25 6.69 -10.98 -0.07 12.17 16 9 O -0.55 -13.02 13.05 5.55 0.07 -12.95 16 10 N -0.61 -11.17 2.94 -172.71 -0.51 -11.68 16 11 C 0.11 1.57 6.29 -3.67 -0.02 1.55 16 12 C -0.11 -1.10 5.20 -26.69 -0.14 -1.24 16 13 C -0.07 -0.59 0.76 -154.33 -0.12 -0.71 16 14 C -0.10 -0.58 6.42 -26.07 -0.17 -0.74 16 15 C -0.17 -0.87 3.81 -89.74 -0.34 -1.21 16 16 C 0.32 1.51 8.89 37.16 0.33 1.85 16 17 O -0.65 -10.68 17.78 -57.73 -1.03 -11.71 16 18 O -0.71 -11.73 17.73 -57.73 -1.02 -12.75 16 19 C -0.13 -0.77 5.54 -26.08 -0.14 -0.91 16 20 C -0.12 -1.27 5.25 -26.70 -0.14 -1.41 16 21 C 0.09 1.56 5.49 -3.69 -0.02 1.54 16 22 H 0.05 0.82 8.14 -51.93 -0.42 0.40 16 23 H 0.06 1.39 7.22 -51.93 -0.37 1.02 16 24 H 0.05 0.90 8.14 -51.92 -0.42 0.48 16 25 H 0.08 1.88 8.04 -51.93 -0.42 1.46 16 26 H 0.08 1.56 5.51 -51.93 -0.29 1.27 16 27 H 0.04 0.73 8.14 -51.93 -0.42 0.30 16 28 H 0.04 0.67 8.14 -51.93 -0.42 0.25 16 29 H 0.09 1.89 7.70 -51.93 -0.40 1.49 16 30 H 0.09 1.44 6.98 -51.93 -0.36 1.08 16 31 H 0.06 0.79 7.42 -51.93 -0.39 0.41 16 32 H 0.07 0.82 8.14 -51.93 -0.42 0.39 16 33 H 0.07 0.60 7.31 -51.93 -0.38 0.22 16 34 H 0.09 0.59 7.32 -51.93 -0.38 0.21 16 35 H 0.10 0.40 8.03 -51.93 -0.42 -0.01 16 36 H 0.13 0.82 7.61 -51.93 -0.39 0.43 16 37 H 0.14 0.32 8.14 -51.93 -0.42 -0.10 16 38 H 0.13 0.17 7.84 -51.93 -0.41 -0.24 16 39 H 0.34 5.29 9.20 45.56 0.42 5.71 16 40 H 0.30 3.79 7.65 45.56 0.35 4.14 16 41 H 0.10 0.42 7.85 -51.93 -0.41 0.01 16 42 H 0.09 0.60 8.09 -51.93 -0.42 0.18 16 43 H 0.08 0.69 8.12 -51.93 -0.42 0.26 16 44 H 0.07 0.83 8.14 -51.93 -0.42 0.41 16 45 H 0.12 2.58 3.81 -51.93 -0.20 2.38 16 46 H 0.06 1.06 8.06 -51.93 -0.42 0.64 16 Total: -1.00 -44.06 355.98 -6.42 -50.48