REAL300009850749.mol2 47 1 O -0.67 -22.34 15.50 -20.23 -0.31 -22.65 16 2 C 0.49 15.29 6.05 36.00 0.22 15.51 16 3 O -0.68 -23.43 17.97 -20.23 -0.36 -23.80 16 4 C 0.04 0.89 3.27 -68.15 -0.22 0.67 16 5 C -0.08 -1.76 6.38 -27.05 -0.17 -1.93 16 6 C 0.01 0.10 7.06 -80.13 -0.57 -0.47 16 7 C 0.61 10.72 7.64 -13.03 -0.10 10.62 16 8 O -0.52 -10.67 16.37 5.17 0.08 -10.59 16 9 N -0.60 -7.77 2.97 -174.45 -0.52 -8.29 16 10 C 0.06 0.59 6.30 -3.71 -0.02 0.57 16 11 C -0.13 -0.87 6.08 -26.61 -0.16 -1.03 16 12 C -0.10 -0.34 5.17 -26.69 -0.14 -0.48 16 13 C -0.16 -1.06 2.04 -90.50 -0.19 -1.25 16 14 C 0.38 1.77 9.01 37.16 0.33 2.10 16 15 O -0.68 -11.35 14.59 -57.73 -0.84 -12.19 16 16 O -0.75 -12.61 17.78 -57.73 -1.03 -13.63 16 17 C 0.11 1.16 5.52 -3.71 -0.02 1.14 16 18 N -0.18 -3.41 7.56 34.92 0.26 -3.14 16 19 N -0.43 -9.38 3.61 -52.29 -0.19 -9.57 16 20 C 0.25 5.16 6.08 -83.78 -0.51 4.65 16 21 C -0.13 -2.79 8.19 -39.37 -0.32 -3.12 16 22 C -0.09 -1.48 10.04 -39.62 -0.40 -1.88 16 23 C -0.17 -2.56 10.04 -39.53 -0.40 -2.96 16 24 C -0.09 -1.37 10.04 -39.61 -0.40 -1.77 16 25 C -0.17 -2.95 9.64 -39.36 -0.38 -3.33 16 26 H 0.09 1.96 8.14 -51.93 -0.42 1.54 16 27 H 0.09 1.78 8.14 -51.93 -0.42 1.36 16 28 H 0.10 2.49 7.73 -51.93 -0.40 2.09 16 29 H 0.15 1.93 3.72 -124.40 -0.46 1.46 16 30 H 0.07 0.53 8.14 -51.93 -0.42 0.11 16 31 H 0.08 0.71 8.14 -51.93 -0.42 0.29 16 32 H 0.09 0.46 8.14 -51.93 -0.42 0.04 16 33 H 0.08 0.09 8.14 -51.92 -0.42 -0.33 16 34 H 0.08 0.10 8.14 -51.93 -0.42 -0.32 16 35 H 0.13 1.18 8.03 -51.93 -0.42 0.76 16 36 H 0.14 0.10 8.14 -51.93 -0.42 -0.32 16 37 H 0.14 0.08 8.14 -51.93 -0.42 -0.34 16 38 H 0.33 5.23 8.90 45.56 0.41 5.63 16 39 H 0.33 5.01 8.90 45.56 0.41 5.41 16 40 H 0.07 0.53 8.14 -51.93 -0.42 0.11 16 41 H 0.13 1.94 4.85 -51.93 -0.25 1.69 16 42 H 0.12 2.88 6.32 -52.49 -0.33 2.55 16 43 H 0.12 1.76 8.06 -52.49 -0.42 1.34 16 44 H 0.11 1.35 8.06 -52.49 -0.42 0.93 16 45 H 0.12 1.30 8.06 -52.49 -0.42 0.88 16 46 H 0.12 1.81 7.66 -52.49 -0.40 1.41 16 Total: -1.00 -47.23 376.64 -7.62 -54.85