REAL300009850801.mol2 52 1 O -0.68 -23.04 17.81 -20.23 -0.36 -23.40 16 2 C 0.52 15.04 4.68 36.00 0.17 15.21 16 3 O -0.68 -20.65 15.22 -20.23 -0.31 -20.95 16 4 C -0.15 -3.52 0.27 -154.40 -0.04 -3.57 16 5 C 0.56 12.63 4.18 -10.99 -0.05 12.58 16 6 O -0.56 -13.59 14.69 5.56 0.08 -13.51 16 7 N -0.61 -11.14 2.91 -172.95 -0.50 -11.65 16 8 C 0.09 1.43 4.96 -3.90 -0.02 1.41 16 9 C -0.12 -1.32 5.13 -26.92 -0.14 -1.46 16 10 C -0.07 -0.61 0.76 -154.34 -0.12 -0.73 16 11 C -0.13 -0.89 6.78 -26.08 -0.18 -1.06 16 12 C -0.17 -1.04 3.39 -89.74 -0.30 -1.34 16 13 C 0.39 2.10 9.38 37.16 0.35 2.45 16 14 O -0.74 -12.50 17.78 -57.73 -1.03 -13.52 16 15 O -0.72 -11.63 16.65 -57.73 -0.96 -12.59 16 16 C -0.10 -0.57 6.42 -26.07 -0.17 -0.74 16 17 C -0.11 -1.15 5.20 -26.69 -0.14 -1.29 16 18 C 0.11 1.60 6.28 -3.67 -0.02 1.57 16 19 C -0.09 -2.01 5.41 -24.33 -0.13 -2.14 16 20 C -0.11 -1.94 5.23 -85.13 -0.44 -2.38 16 21 C -0.12 -1.86 6.20 -24.21 -0.15 -2.01 16 22 C -0.13 -2.11 5.99 -24.33 -0.15 -2.26 16 23 C -0.07 -1.29 2.91 -85.33 -0.25 -1.54 16 24 C -0.11 -2.11 6.27 -22.36 -0.14 -2.25 16 25 H 0.13 2.73 2.16 -51.93 -0.11 2.62 16 26 H 0.06 1.00 8.05 -51.93 -0.42 0.58 16 27 H 0.08 0.70 8.12 -51.93 -0.42 0.28 16 28 H 0.07 0.89 8.14 -51.93 -0.42 0.47 16 29 H 0.09 0.72 8.09 -51.93 -0.42 0.30 16 30 H 0.09 0.54 7.85 -51.93 -0.41 0.13 16 31 H 0.15 1.16 6.95 -51.93 -0.36 0.79 16 32 H 0.14 0.34 7.85 -51.93 -0.41 -0.07 16 33 H 0.14 0.22 8.14 -51.93 -0.42 -0.21 16 34 H 0.32 4.90 8.90 45.56 0.41 5.31 16 35 H 0.32 4.77 8.90 45.56 0.41 5.17 16 36 H 0.10 0.39 8.03 -51.93 -0.42 -0.02 16 37 H 0.10 0.60 7.33 -51.93 -0.38 0.22 16 38 H 0.08 0.66 7.30 -51.93 -0.38 0.28 16 39 H 0.07 0.86 8.14 -51.93 -0.42 0.43 16 40 H 0.06 0.79 7.41 -51.93 -0.39 0.41 16 41 H 0.09 1.46 7.00 -51.93 -0.36 1.09 16 42 H 0.08 1.78 6.19 -51.93 -0.32 1.46 16 43 H 0.06 1.51 7.72 -51.93 -0.40 1.11 16 44 H 0.09 1.43 8.14 -51.93 -0.42 1.01 16 45 H 0.05 0.76 8.14 -51.93 -0.42 0.34 16 46 H 0.06 1.05 7.84 -51.93 -0.41 0.64 16 47 H 0.06 0.81 8.14 -51.93 -0.42 0.39 16 48 H 0.06 1.04 6.20 -51.93 -0.32 0.72 16 49 H 0.10 1.99 5.98 -51.93 -0.31 1.68 16 50 H 0.08 1.65 7.60 -51.93 -0.39 1.26 16 51 H 0.06 0.95 8.14 -51.93 -0.42 0.53 16 Total: -1.00 -44.47 377.00 -8.09 -52.57