REAL300018574246.mol2 49 1 O -0.64 -12.94 16.60 -20.22 -0.34 -13.28 16 2 C 0.52 8.92 7.82 36.01 0.28 9.20 16 3 O -0.65 -13.72 17.98 -20.23 -0.36 -14.08 16 4 C -0.15 -1.09 1.62 -158.28 -0.26 -1.35 16 5 C -0.14 -0.19 7.27 -26.76 -0.19 -0.38 16 6 C 0.01 -0.04 2.07 -96.75 -0.20 -0.24 16 7 C 0.05 -0.58 5.67 -3.82 -0.02 -0.60 16 8 N -0.51 7.97 1.74 -115.06 -0.20 7.77 16 9 H 0.44 -6.02 8.50 -39.29 -0.33 -6.35 16 10 H 0.43 -7.48 8.52 -39.29 -0.33 -7.82 16 11 C 0.04 -0.63 5.17 -4.97 -0.03 -0.66 16 12 C -0.16 2.23 5.38 -104.29 -0.56 1.67 16 13 C -0.06 0.88 9.66 -39.63 -0.38 0.49 16 14 C -0.11 1.50 10.04 -39.49 -0.40 1.10 16 15 C -0.06 0.67 10.03 -39.63 -0.40 0.27 16 16 C -0.12 1.25 9.86 -39.25 -0.39 0.87 16 17 C 0.16 -1.65 8.80 -38.73 -0.34 -1.99 16 18 O -0.50 0.37 17.89 -57.73 -1.03 -0.66 16 19 O -0.56 1.37 16.81 -57.73 -0.97 0.40 16 20 C -0.12 -0.18 7.27 -28.62 -0.21 -0.39 16 21 O -0.36 0.65 10.70 -35.23 -0.38 0.28 16 22 C 0.15 0.66 3.28 -25.83 -0.08 0.58 16 23 C -0.08 -0.44 4.87 -104.62 -0.51 -0.95 16 24 C -0.11 -0.31 8.20 -39.58 -0.32 -0.63 16 25 C -0.13 -0.35 10.05 -39.58 -0.40 -0.75 16 26 C -0.12 -0.45 10.05 -39.58 -0.40 -0.85 16 27 C -0.12 -0.65 10.05 -39.58 -0.40 -1.05 16 28 C -0.07 -0.51 8.96 -39.58 -0.35 -0.86 16 29 H 0.12 0.22 7.89 -51.93 -0.41 -0.19 16 30 H 0.08 0.08 5.30 -51.93 -0.28 -0.19 16 31 H 0.14 -2.20 8.14 -51.93 -0.42 -2.62 16 32 H 0.15 -2.03 8.14 -51.93 -0.42 -2.46 16 33 H 0.15 -2.98 7.94 -51.93 -0.41 -3.40 16 34 H 0.15 -2.43 4.90 -51.93 -0.25 -2.69 16 35 H 0.16 -2.79 8.00 -52.48 -0.42 -3.21 16 36 H 0.16 -2.22 8.06 -52.48 -0.42 -2.64 16 37 H 0.16 -2.17 8.06 -52.48 -0.42 -2.59 16 38 H 0.17 -1.79 8.06 -52.49 -0.42 -2.22 16 39 H 0.33 -1.85 8.81 45.56 0.40 -1.45 16 40 H 0.32 -2.40 6.72 45.56 0.31 -2.09 16 41 H 0.08 0.11 8.10 -51.93 -0.42 -0.31 16 42 H 0.11 0.15 7.88 -51.93 -0.41 -0.26 16 43 H 0.11 0.61 8.09 -51.93 -0.42 0.19 16 44 H 0.11 -0.12 5.89 -52.49 -0.31 -0.43 16 45 H 0.12 -0.02 8.06 -52.49 -0.42 -0.44 16 46 H 0.12 0.20 8.06 -52.49 -0.42 -0.22 16 47 H 0.12 0.47 8.06 -52.49 -0.42 0.05 16 48 H 0.13 1.02 8.06 -52.49 -0.42 0.59 16 Total: 0.00 -40.93 397.07 -9.95 -50.88