REAL300009850752.mol2 47 1 C -0.12 -2.11 8.14 37.16 0.30 -1.80 16 2 C -0.07 -1.40 2.70 -154.47 -0.42 -1.81 16 3 C -0.10 -2.07 7.97 37.16 0.30 -1.78 16 4 C -0.11 -1.91 1.48 -154.47 -0.23 -2.14 16 5 C -0.14 -2.33 7.96 37.16 0.30 -2.04 16 6 C -0.13 -1.68 7.72 37.15 0.29 -1.39 16 7 C -0.21 -4.70 1.34 -156.81 -0.21 -4.91 16 8 C 0.54 15.40 6.80 36.01 0.24 15.64 16 9 O -0.68 -21.71 17.39 -20.23 -0.35 -22.06 16 10 O -0.66 -20.04 12.34 -20.23 -0.25 -20.29 16 11 C 0.59 12.66 4.32 -10.99 -0.05 12.61 16 12 O -0.54 -12.87 14.44 5.55 0.08 -12.79 16 13 N -0.60 -10.08 2.88 -172.77 -0.50 -10.58 16 14 C 0.11 1.54 6.41 -3.71 -0.02 1.52 16 15 C -0.13 -1.79 6.08 -26.61 -0.16 -1.95 16 16 C -0.12 -1.45 5.02 -26.68 -0.13 -1.59 16 17 C -0.17 -2.29 2.05 -90.49 -0.19 -2.48 16 18 C 0.39 4.20 9.01 37.16 0.33 4.54 16 19 O -0.69 -13.73 14.57 -57.73 -0.84 -14.57 16 20 O -0.75 -15.30 17.78 -57.73 -1.03 -16.32 16 21 C 0.14 1.86 3.50 -3.71 -0.01 1.85 16 22 H 0.06 1.00 8.09 -51.93 -0.42 0.58 16 23 H 0.05 0.75 8.14 -51.93 -0.42 0.33 16 24 H 0.07 1.24 4.66 -51.93 -0.24 1.00 16 25 H 0.09 1.92 4.80 -51.92 -0.25 1.67 16 26 H 0.03 0.59 8.11 -51.93 -0.42 0.17 16 27 H 0.06 1.27 7.98 -51.93 -0.41 0.86 16 28 H 0.04 0.59 8.09 -51.93 -0.42 0.17 16 29 H 0.05 0.85 8.05 -51.93 -0.42 0.44 16 30 H 0.11 2.30 4.58 -51.93 -0.24 2.06 16 31 H 0.06 0.80 5.81 -51.93 -0.30 0.50 16 32 H 0.06 0.72 8.14 -51.93 -0.42 0.30 16 33 H 0.06 0.63 4.96 -51.93 -0.26 0.37 16 34 H 0.09 1.49 7.05 -51.93 -0.37 1.12 16 35 H 0.06 0.71 8.14 -51.93 -0.42 0.29 16 36 H 0.08 1.29 8.14 -51.93 -0.42 0.87 16 37 H 0.08 0.84 8.14 -51.93 -0.42 0.42 16 38 H 0.10 1.50 5.88 -51.93 -0.31 1.20 16 39 H 0.06 0.56 8.14 -51.93 -0.42 0.14 16 40 H 0.14 2.73 8.03 -51.93 -0.42 2.31 16 41 H 0.14 0.75 8.14 -51.93 -0.42 0.33 16 42 H 0.14 1.16 8.14 -51.93 -0.42 0.73 16 43 H 0.32 5.81 8.90 45.56 0.41 6.22 16 44 H 0.32 5.89 8.90 45.56 0.41 6.30 16 45 H 0.08 0.66 6.90 -51.93 -0.36 0.30 16 46 H 0.11 1.72 4.46 -51.93 -0.23 1.48 16 Total: -1.00 -42.03 340.28 -5.05 -47.08