REAL300009850816.mol2 52 1 O -0.70 -25.87 16.88 -20.23 -0.34 -26.21 16 2 C 0.49 16.96 8.05 36.01 0.29 17.25 16 3 O -0.71 -27.02 18.00 -20.23 -0.36 -27.38 16 4 C -0.18 -4.80 5.70 -27.88 -0.16 -4.96 16 5 C -0.09 -1.93 4.28 -26.73 -0.11 -2.05 16 6 C 0.08 1.27 3.33 -25.68 -0.09 1.19 16 7 C -0.14 -1.90 5.93 -24.73 -0.15 -2.04 16 8 C -0.15 -1.54 2.53 -90.25 -0.23 -1.77 16 9 C 0.53 5.88 6.91 -10.99 -0.08 5.80 16 10 O -0.53 -8.14 14.86 5.56 0.08 -8.05 16 11 N -0.62 -4.26 2.90 -172.64 -0.50 -4.76 16 12 C 0.11 0.64 6.29 -3.66 -0.02 0.62 16 13 C -0.12 -0.46 5.20 -26.68 -0.14 -0.60 16 14 C -0.07 -0.13 0.75 -154.34 -0.12 -0.25 16 15 C -0.10 0.10 6.42 -26.07 -0.17 -0.07 16 16 C -0.18 -0.17 4.01 -89.73 -0.36 -0.53 16 17 C 0.39 0.53 9.00 37.16 0.33 0.87 16 18 O -0.73 -10.27 17.78 -57.73 -1.03 -11.29 16 19 O -0.72 -9.86 17.78 -57.73 -1.03 -10.89 16 20 C -0.12 -0.28 6.78 -26.08 -0.18 -0.46 16 21 C -0.12 -0.29 5.21 -26.66 -0.14 -0.42 16 22 C 0.10 0.34 5.39 -3.64 -0.02 0.32 16 23 C 0.06 0.62 5.59 37.73 0.21 0.83 16 24 O -0.36 -6.11 10.89 -35.23 -0.38 -6.50 16 25 H 0.05 1.32 8.14 -51.93 -0.42 0.90 16 26 H 0.06 1.63 7.92 -51.93 -0.41 1.22 16 27 H 0.07 1.71 8.10 -51.93 -0.42 1.29 16 28 H 0.08 1.70 8.10 -51.93 -0.42 1.28 16 29 H 0.07 1.02 8.14 -51.93 -0.42 0.59 16 30 H 0.10 1.66 6.84 -51.93 -0.36 1.30 16 31 H 0.08 1.01 8.14 -51.92 -0.42 0.59 16 32 H 0.11 0.78 7.96 -51.93 -0.41 0.37 16 33 H 0.10 0.82 6.98 -51.93 -0.36 0.46 16 34 H 0.07 0.25 7.42 -51.93 -0.39 -0.14 16 35 H 0.08 0.50 8.14 -51.93 -0.42 0.08 16 36 H 0.08 0.24 7.31 -51.93 -0.38 -0.14 16 37 H 0.10 -0.12 7.32 -51.93 -0.38 -0.50 16 38 H 0.10 -0.33 8.04 -51.93 -0.42 -0.75 16 39 H 0.14 0.34 7.61 -51.93 -0.39 -0.05 16 40 H 0.14 -0.25 7.84 -51.93 -0.41 -0.66 16 41 H 0.14 -0.28 8.14 -51.93 -0.42 -0.70 16 42 H 0.33 4.10 8.90 45.56 0.41 4.50 16 43 H 0.33 4.07 8.90 45.56 0.41 4.47 16 44 H 0.10 0.15 7.85 -51.93 -0.41 -0.26 16 45 H 0.09 0.41 8.09 -51.93 -0.42 -0.01 16 46 H 0.08 0.02 8.12 -51.93 -0.42 -0.40 16 47 H 0.08 0.35 7.40 -51.93 -0.38 -0.03 16 48 H 0.09 0.33 4.40 -51.92 -0.23 0.10 16 49 H 0.07 0.11 8.06 -51.93 -0.42 -0.31 16 50 H 0.06 0.52 7.66 -51.93 -0.40 0.12 16 51 H 0.08 0.81 6.19 -51.93 -0.32 0.49 16 Total: -1.00 -53.83 398.19 -7.73 -61.55