REAL300009850857.mol2 51 1 C -0.10 -2.04 7.64 37.16 0.28 -1.76 16 2 C -0.08 -1.71 2.69 -154.48 -0.42 -2.12 16 3 C -0.13 -2.84 9.12 37.15 0.34 -2.51 16 4 C -0.10 -2.06 2.40 -154.48 -0.37 -2.43 16 5 C -0.11 -2.12 8.19 37.16 0.30 -1.81 16 6 C -0.11 -1.87 8.54 37.16 0.32 -1.56 16 7 C -0.19 -4.68 1.59 -156.82 -0.25 -4.93 16 8 C 0.54 15.82 5.09 36.00 0.18 16.00 16 9 O -0.68 -20.28 14.45 -20.23 -0.29 -20.57 16 10 O -0.67 -22.08 15.09 -20.23 -0.31 -22.38 16 11 C 0.58 13.45 4.97 -10.99 -0.05 13.40 16 12 O -0.55 -13.51 14.34 5.56 0.08 -13.43 16 13 N -0.61 -11.52 3.34 -170.78 -0.57 -12.09 16 14 C 0.12 1.94 5.19 -2.35 -0.01 1.93 16 15 C -0.12 -1.29 6.44 -25.11 -0.16 -1.45 16 16 C -0.09 -0.87 0.92 -154.42 -0.14 -1.01 16 17 C -0.09 -0.55 6.89 -26.45 -0.18 -0.73 16 18 C -0.17 -1.12 3.17 -89.58 -0.28 -1.41 16 19 C 0.39 2.07 9.52 37.16 0.35 2.42 16 20 O -0.75 -12.76 17.78 -57.73 -1.03 -13.79 16 21 O -0.71 -11.50 16.57 -57.73 -0.96 -12.45 16 22 C -0.11 -0.84 6.98 -26.38 -0.18 -1.02 16 23 C 0.13 1.92 6.24 -3.53 -0.02 1.90 16 24 H 0.06 1.22 8.11 -51.93 -0.42 0.80 16 25 H 0.04 0.72 8.14 -51.93 -0.42 0.30 16 26 H 0.06 1.26 4.80 -51.93 -0.25 1.01 16 27 H 0.05 1.04 6.04 -51.93 -0.31 0.73 16 28 H 0.04 0.77 7.92 -51.93 -0.41 0.36 16 29 H 0.10 2.64 5.42 -51.92 -0.28 2.36 16 30 H 0.05 0.90 7.98 -51.93 -0.41 0.48 16 31 H 0.05 0.87 7.59 -51.93 -0.39 0.48 16 32 H 0.07 1.70 6.03 -51.92 -0.31 1.39 16 33 H 0.05 0.95 5.55 -51.92 -0.29 0.66 16 34 H 0.06 0.86 8.14 -51.93 -0.42 0.44 16 35 H 0.05 0.83 8.01 -51.92 -0.42 0.42 16 36 H 0.08 1.48 7.45 -51.93 -0.39 1.10 16 37 H 0.09 1.80 6.65 -51.93 -0.35 1.46 16 38 H 0.08 0.68 7.98 -51.93 -0.41 0.27 16 39 H 0.08 0.78 8.14 -51.93 -0.42 0.36 16 40 H 0.10 0.76 8.03 -51.93 -0.42 0.35 16 41 H 0.10 0.34 7.99 -51.93 -0.41 -0.08 16 42 H 0.14 1.27 7.78 -51.93 -0.40 0.87 16 43 H 0.14 0.23 7.88 -51.93 -0.41 -0.18 16 44 H 0.14 0.24 8.14 -51.93 -0.42 -0.18 16 45 H 0.32 4.96 8.90 45.56 0.41 5.37 16 46 H 0.32 4.84 8.90 45.56 0.41 5.24 16 47 H 0.10 0.51 7.92 -51.92 -0.41 0.10 16 48 H 0.09 0.87 8.01 -51.93 -0.42 0.45 16 49 H 0.07 1.04 7.99 -51.92 -0.41 0.63 16 50 H 0.07 0.98 7.89 -51.93 -0.41 0.57 16 Total: -1.00 -43.89 380.53 -6.46 -50.36