REAL300009850766.mol2 47 1 O -0.70 -48.07 16.20 19.05 0.31 -47.76 16 2 C 0.48 30.40 5.72 71.23 0.41 30.80 16 3 O -0.73 -51.69 18.00 19.04 0.34 -51.35 16 4 C 0.05 2.47 3.29 44.51 0.15 2.61 16 5 C -0.08 -3.46 6.39 30.39 0.19 -3.27 16 6 C 0.01 0.21 7.06 45.16 0.32 0.53 16 7 C 0.60 18.49 7.65 86.33 0.66 19.15 16 8 O -0.56 -20.67 16.36 -4.44 -0.07 -20.74 16 9 N -0.59 -11.99 2.97 -823.23 -2.44 -14.43 16 10 C 0.11 1.98 6.44 86.51 0.56 2.54 16 11 C -0.13 -1.69 5.38 30.82 0.17 -1.52 16 12 C -0.14 -0.81 1.95 -10.77 -0.02 -0.83 16 13 C 0.40 1.59 8.82 71.98 0.64 2.22 16 14 O -0.80 -25.92 17.78 -127.47 -2.27 -28.19 16 15 O -0.74 -20.28 16.37 -127.47 -2.09 -22.37 16 16 C -0.10 -0.41 5.36 30.67 0.16 -0.24 16 17 C 0.06 0.82 6.30 86.36 0.54 1.37 16 18 N -0.15 -4.99 7.56 -43.42 -0.33 -5.32 16 19 N -0.44 -18.27 3.55 -319.37 -1.13 -19.40 16 20 C 0.21 8.01 6.15 38.25 0.24 8.24 16 21 C -0.17 -4.62 9.64 22.41 0.22 -4.41 16 22 C -0.08 -1.67 10.04 22.25 0.22 -1.44 16 23 C -0.16 -3.75 10.04 22.30 0.22 -3.53 16 24 C -0.09 -2.96 10.04 22.25 0.22 -2.73 16 25 C -0.18 -7.56 8.50 22.41 0.19 -7.37 16 26 H 0.09 4.31 8.14 -2.39 -0.02 4.29 16 27 H 0.12 4.35 8.14 -2.39 -0.02 4.33 16 28 H 0.07 3.46 7.73 -2.39 -0.02 3.44 16 29 H 0.09 1.33 8.14 -2.39 -0.02 1.31 16 30 H 0.08 1.78 7.04 -2.39 -0.02 1.76 16 31 H 0.08 1.02 8.14 -2.39 -0.02 1.00 16 32 H 0.09 1.46 7.71 -2.39 -0.02 1.44 16 33 H 0.13 0.91 7.73 -2.39 -0.02 0.89 16 34 H 0.17 -0.13 8.14 -2.39 -0.02 -0.15 16 35 H 0.20 -1.39 8.14 -2.39 -0.02 -1.41 16 36 H 0.32 9.74 8.90 -74.06 -0.66 9.08 16 37 H 0.33 8.69 8.90 -74.06 -0.66 8.03 16 38 H 0.09 0.48 8.14 -2.38 -0.02 0.46 16 39 H 0.14 -0.66 8.14 -2.38 -0.02 -0.68 16 40 H 0.14 2.47 3.70 -99.68 -0.37 2.10 16 41 H 0.10 0.86 8.14 -2.39 -0.02 0.85 16 42 H 0.15 3.16 7.66 -2.91 -0.02 3.14 16 43 H 0.17 1.99 8.06 -2.91 -0.02 1.96 16 44 H 0.16 2.46 8.06 -2.91 -0.02 2.44 16 45 H 0.13 3.67 8.06 -2.91 -0.02 3.65 16 46 H 0.08 3.79 6.38 -2.91 -0.02 3.77 16 Total: -1.00 -111.10 380.77 -4.64 -115.73