REAL300009850799.mol2 50 1 C -0.14 -3.24 7.93 37.16 0.29 -2.95 16 2 C -0.03 -0.64 0.54 -154.51 -0.08 -0.72 16 3 C -0.15 -3.13 7.96 37.15 0.30 -2.84 16 4 C -0.15 -2.82 8.18 37.16 0.30 -2.51 16 5 C -0.17 -4.05 1.25 -92.92 -0.12 -4.17 16 6 C 0.51 14.51 4.37 36.01 0.16 14.67 16 7 O -0.68 -20.74 14.92 -20.23 -0.30 -21.04 16 8 O -0.68 -21.23 14.99 -20.23 -0.30 -21.53 16 9 C 0.55 12.07 6.00 -10.99 -0.07 12.00 16 10 O -0.56 -12.63 10.74 5.56 0.06 -12.57 16 11 N -0.60 -10.75 2.73 -172.69 -0.47 -11.22 16 12 C 0.11 1.58 6.29 -3.66 -0.02 1.56 16 13 C -0.11 -1.08 5.20 -26.69 -0.14 -1.22 16 14 C -0.07 -0.56 0.76 -154.34 -0.12 -0.68 16 15 C -0.10 -0.57 6.42 -26.08 -0.17 -0.73 16 16 C -0.18 -0.83 2.50 -89.74 -0.22 -1.06 16 17 C 0.32 1.52 9.53 37.16 0.35 1.87 16 18 O -0.71 -11.76 17.75 -57.73 -1.02 -12.78 16 19 O -0.65 -10.79 17.78 -57.73 -1.03 -11.81 16 20 C -0.13 -0.77 6.63 -26.08 -0.17 -0.94 16 21 C -0.12 -1.34 5.25 -26.71 -0.14 -1.48 16 22 C 0.13 2.13 4.49 -3.69 -0.02 2.11 16 23 H 0.05 1.27 7.22 -51.93 -0.37 0.89 16 24 H 0.04 0.74 8.14 -51.93 -0.42 0.32 16 25 H 0.08 1.79 5.51 -51.93 -0.29 1.51 16 26 H 0.04 0.81 8.14 -51.93 -0.42 0.39 16 27 H 0.03 0.64 8.14 -51.92 -0.42 0.22 16 28 H 0.10 2.38 5.50 -51.93 -0.29 2.10 16 29 H 0.08 1.57 5.51 -51.93 -0.29 1.28 16 30 H 0.04 0.73 8.14 -51.93 -0.42 0.31 16 31 H 0.04 0.66 8.14 -51.93 -0.42 0.24 16 32 H 0.08 1.80 7.72 -51.93 -0.40 1.40 16 33 H 0.09 1.40 6.98 -51.93 -0.36 1.04 16 34 H 0.06 0.80 7.42 -51.93 -0.39 0.41 16 35 H 0.07 0.79 8.14 -51.93 -0.42 0.37 16 36 H 0.07 0.56 7.31 -51.93 -0.38 0.18 16 37 H 0.10 0.57 7.32 -51.93 -0.38 0.19 16 38 H 0.10 0.40 8.03 -51.93 -0.42 -0.02 16 39 H 0.14 0.70 6.35 -51.93 -0.33 0.37 16 40 H 0.14 0.22 8.14 -51.93 -0.42 -0.21 16 41 H 0.14 0.26 7.84 -51.93 -0.41 -0.15 16 42 H 0.30 3.79 6.29 45.56 0.29 4.08 16 43 H 0.34 5.31 9.20 45.56 0.42 5.73 16 44 H 0.09 0.47 7.85 -51.93 -0.41 0.06 16 45 H 0.09 0.60 8.09 -51.92 -0.42 0.18 16 46 H 0.07 0.65 8.12 -51.93 -0.42 0.23 16 47 H 0.07 0.80 8.14 -51.93 -0.42 0.37 16 48 H 0.09 1.78 4.85 -51.92 -0.25 1.53 16 49 H 0.07 1.24 7.86 -51.93 -0.41 0.83 16 Total: -1.00 -42.41 362.31 -6.35 -48.76