REAL300009850854.mol2 49 1 O -0.69 -23.61 17.80 -20.23 -0.36 -23.97 16 2 C 0.52 15.38 4.19 36.00 0.15 15.53 16 3 O -0.68 -21.24 16.03 -20.23 -0.32 -21.57 16 4 C -0.15 -3.50 0.28 -154.42 -0.04 -3.54 16 5 C 0.58 13.25 4.26 -10.98 -0.05 13.20 16 6 O -0.56 -13.87 15.59 5.56 0.09 -13.78 16 7 N -0.62 -11.63 3.33 -170.78 -0.57 -12.20 16 8 C 0.10 1.69 5.65 -2.87 -0.02 1.67 16 9 C -0.11 -1.23 6.34 -25.51 -0.16 -1.39 16 10 C -0.09 -0.87 0.92 -154.48 -0.14 -1.01 16 11 C -0.11 -0.82 7.00 -26.54 -0.19 -1.01 16 12 C -0.17 -1.05 3.22 -89.56 -0.29 -1.34 16 13 C 0.39 1.92 9.53 37.16 0.35 2.28 16 14 O -0.71 -11.35 16.53 -57.73 -0.95 -12.30 16 15 O -0.75 -12.58 17.78 -57.73 -1.03 -13.60 16 16 C -0.09 -0.48 6.96 -26.53 -0.18 -0.66 16 17 C 0.13 1.90 6.17 -3.00 -0.02 1.89 16 18 C -0.09 -2.05 5.43 -24.34 -0.13 -2.18 16 19 C -0.11 -1.96 5.20 -85.21 -0.44 -2.40 16 20 C -0.11 -1.85 6.23 -24.18 -0.15 -2.00 16 21 C -0.13 -2.11 5.99 -24.33 -0.15 -2.25 16 22 C -0.06 -1.25 3.01 -85.35 -0.26 -1.50 16 23 C -0.11 -2.14 6.27 -22.45 -0.14 -2.28 16 24 H 0.07 1.19 5.76 -51.93 -0.30 0.89 16 25 H 0.08 1.84 6.58 -51.93 -0.34 1.50 16 26 H 0.08 0.64 7.99 -51.93 -0.42 0.23 16 27 H 0.08 0.91 8.14 -51.93 -0.42 0.49 16 28 H 0.10 0.50 7.90 -51.93 -0.41 0.09 16 29 H 0.09 0.87 8.12 -51.93 -0.42 0.45 16 30 H 0.15 1.24 7.73 -51.93 -0.40 0.84 16 31 H 0.14 0.18 8.14 -51.93 -0.42 -0.25 16 32 H 0.14 0.18 7.85 -51.93 -0.41 -0.22 16 33 H 0.33 4.79 8.90 45.56 0.41 5.20 16 34 H 0.32 4.90 8.90 45.56 0.41 5.31 16 35 H 0.10 0.64 8.13 -51.93 -0.42 0.22 16 36 H 0.10 0.24 8.01 -51.93 -0.42 -0.17 16 37 H 0.07 1.11 8.14 -51.93 -0.42 0.68 16 38 H 0.08 1.09 8.04 -51.93 -0.42 0.67 16 39 H 0.08 1.81 6.19 -51.93 -0.32 1.49 16 40 H 0.06 1.54 7.72 -51.93 -0.40 1.14 16 41 H 0.09 1.44 8.14 -51.93 -0.42 1.02 16 42 H 0.05 0.76 8.14 -51.93 -0.42 0.33 16 43 H 0.06 1.07 7.84 -51.93 -0.41 0.66 16 44 H 0.06 0.78 8.14 -51.93 -0.42 0.36 16 45 H 0.06 0.99 6.23 -51.93 -0.32 0.67 16 46 H 0.10 2.00 5.99 -51.93 -0.31 1.69 16 47 H 0.08 1.70 7.54 -51.93 -0.39 1.31 16 48 H 0.06 0.95 8.14 -51.93 -0.42 0.53 16 Total: -1.00 -46.06 366.15 -7.74 -53.80