REAL300009850785.mol2 54 1 O -0.68 -23.21 18.00 -20.23 -0.36 -23.57 16 2 C 0.50 15.22 5.31 36.00 0.19 15.41 16 3 O -0.67 -22.46 17.35 -20.22 -0.35 -22.81 16 4 C 0.04 0.90 3.29 -68.15 -0.22 0.67 16 5 C -0.08 -1.71 6.39 -27.05 -0.17 -1.88 16 6 C 0.00 0.06 7.01 -80.13 -0.56 -0.50 16 7 C 0.61 10.12 7.63 -13.03 -0.10 10.03 16 8 O -0.53 -9.97 16.34 5.17 0.08 -9.88 16 9 N -0.60 -7.52 2.94 -174.37 -0.51 -8.03 16 10 C 0.11 1.10 6.28 -3.68 -0.02 1.08 16 11 C -0.11 -0.77 5.22 -26.53 -0.14 -0.91 16 12 C -0.08 -0.40 0.76 -154.17 -0.12 -0.51 16 13 C -0.12 -0.60 6.43 -26.08 -0.17 -0.77 16 14 C -0.17 -0.57 2.96 -89.74 -0.27 -0.83 16 15 C 0.39 1.23 9.53 37.16 0.35 1.58 16 16 O -0.71 -10.04 16.53 -57.73 -0.95 -10.99 16 17 O -0.74 -11.47 17.78 -57.73 -1.03 -12.50 16 18 C -0.10 -0.20 6.78 -26.07 -0.18 -0.38 16 19 C -0.12 -0.90 5.25 -26.70 -0.14 -1.04 16 20 C 0.08 0.86 5.96 -3.67 -0.02 0.84 16 21 N -0.17 -3.30 7.63 34.92 0.27 -3.04 16 22 N -0.43 -9.33 3.52 -52.29 -0.18 -9.52 16 23 C 0.24 5.04 6.40 -83.78 -0.54 4.51 16 24 C -0.15 -3.18 9.02 -39.37 -0.36 -3.53 16 25 C -0.08 -1.38 10.04 -39.61 -0.40 -1.78 16 26 C -0.17 -2.52 10.04 -39.54 -0.40 -2.92 16 27 C -0.09 -1.31 10.04 -39.62 -0.40 -1.71 16 28 C -0.17 -2.89 9.64 -39.37 -0.38 -3.27 16 29 H 0.09 1.97 8.14 -51.92 -0.42 1.55 16 30 H 0.10 2.22 7.72 -51.93 -0.40 1.82 16 31 H 0.09 1.77 8.14 -51.93 -0.42 1.34 16 32 H 0.07 0.61 7.44 -51.92 -0.39 0.22 16 33 H 0.10 1.07 6.98 -51.93 -0.36 0.71 16 34 H 0.08 0.44 7.32 -51.93 -0.38 0.06 16 35 H 0.08 0.61 8.14 -51.93 -0.42 0.18 16 36 H 0.09 0.35 7.83 -51.93 -0.41 -0.06 16 37 H 0.09 0.62 7.35 -51.93 -0.38 0.24 16 38 H 0.14 0.73 7.19 -51.93 -0.37 0.35 16 39 H 0.14 -0.06 8.14 -51.93 -0.42 -0.49 16 40 H 0.14 0.02 7.84 -51.93 -0.41 -0.39 16 41 H 0.33 4.24 8.90 45.56 0.41 4.65 16 42 H 0.33 4.49 8.90 45.56 0.41 4.90 16 43 H 0.10 0.16 8.09 -51.93 -0.42 -0.26 16 44 H 0.10 0.02 8.05 -51.92 -0.42 -0.40 16 45 H 0.07 0.70 8.14 -51.93 -0.42 0.27 16 46 H 0.08 0.45 8.12 -51.93 -0.42 0.03 16 47 H 0.14 1.89 4.09 -91.17 -0.37 1.52 16 48 H 0.07 0.66 8.07 -51.93 -0.42 0.24 16 49 H 0.13 2.94 6.37 -52.49 -0.33 2.60 16 50 H 0.12 1.75 8.06 -52.48 -0.42 1.33 16 51 H 0.12 1.34 8.06 -52.49 -0.42 0.92 16 52 H 0.12 1.31 8.06 -52.48 -0.42 0.89 16 53 H 0.12 1.87 7.66 -52.49 -0.40 1.47 16 Total: -1.00 -47.01 426.92 -9.10 -56.11