REAL300018320923.mol2 50 1 O -0.75 -56.30 18.00 19.04 0.34 -55.96 16 2 C 0.47 32.18 6.99 71.23 0.50 32.68 16 3 O -0.74 -55.68 17.31 19.06 0.33 -55.35 16 4 C -0.14 -6.81 2.54 -11.52 -0.03 -6.84 16 5 C -0.10 -4.52 5.06 30.67 0.16 -4.36 16 6 C 0.12 4.02 6.44 86.36 0.56 4.57 16 7 N -0.60 -18.30 2.97 -821.82 -2.44 -20.74 16 8 C 0.56 16.85 7.29 86.69 0.63 17.48 16 9 O -0.58 -21.21 16.36 -4.03 -0.07 -21.28 16 10 C -0.15 -3.45 5.07 -20.08 -0.10 -3.55 16 11 C -0.05 -0.94 9.64 22.50 0.22 -0.73 16 12 C -0.15 -2.19 9.87 22.36 0.22 -1.97 16 13 C 0.22 2.67 6.65 38.47 0.26 2.92 16 14 N -0.57 -4.82 4.92 -343.14 -1.69 -6.51 16 15 C 0.14 0.85 4.06 85.63 0.35 1.20 16 16 C -0.11 -0.56 5.28 -19.65 -0.10 -0.67 16 17 C -0.04 0.26 9.66 22.24 0.21 0.48 16 18 C -0.09 0.80 10.04 22.33 0.22 1.02 16 19 C -0.04 0.11 10.03 22.24 0.22 0.33 16 20 C -0.14 -1.68 9.75 22.48 0.22 -1.46 16 21 C 0.31 5.82 9.76 22.82 0.22 6.04 16 22 O -0.77 -29.28 13.35 -127.47 -1.70 -30.98 16 23 O -0.97 -52.13 17.25 -127.47 -2.20 -54.33 16 24 C -0.15 -1.76 9.28 22.36 0.21 -1.56 16 25 C -0.05 -0.82 7.38 22.50 0.17 -0.66 16 26 C 0.11 3.18 4.96 86.51 0.43 3.61 16 27 C -0.11 -4.60 5.36 30.82 0.17 -4.44 16 28 H 0.08 3.74 8.14 -2.39 -0.02 3.72 16 29 H 0.04 1.94 7.92 -2.39 -0.02 1.92 16 30 H 0.06 2.78 8.14 -2.38 -0.02 2.76 16 31 H 0.09 2.97 7.00 -2.39 -0.02 2.95 16 32 H 0.10 2.63 8.14 -2.38 -0.02 2.61 16 33 H 0.13 2.82 8.06 -2.91 -0.02 2.80 16 34 H 0.16 1.51 8.06 -2.91 -0.02 1.49 16 35 H 0.42 2.89 8.47 -92.71 -0.78 2.11 16 36 H 0.11 1.72 5.57 -2.39 -0.01 1.71 16 37 H 0.17 -0.90 7.79 -2.38 -0.02 -0.92 16 38 H 0.22 -3.69 8.03 -2.91 -0.02 -3.72 16 39 H 0.21 -3.80 8.06 -2.91 -0.02 -3.82 16 40 H 0.20 -1.87 8.06 -2.91 -0.02 -1.89 16 41 H 0.15 2.78 7.77 -2.91 -0.02 2.75 16 42 H 0.30 12.98 8.90 -74.06 -0.66 12.32 16 43 H 0.27 15.02 8.90 -74.06 -0.66 14.36 16 44 H 0.17 0.99 6.70 -2.91 -0.02 0.97 16 45 H 0.16 1.91 6.73 -2.91 -0.02 1.89 16 46 H 0.11 2.31 8.13 -2.39 -0.02 2.29 16 47 H 0.11 2.62 4.81 -2.39 -0.01 2.61 16 48 H 0.04 1.82 8.14 -2.38 -0.02 1.81 16 49 H 0.07 2.91 8.14 -2.39 -0.02 2.89 16 Total: -1.00 -142.26 404.94 -5.18 -147.44