REAL300018049863.mol2 48 1 O -0.75 -54.79 17.24 17.56 0.30 -54.49 16 2 C 0.50 33.10 7.99 70.13 0.56 33.66 16 3 O -0.67 -46.92 15.91 17.56 0.28 -46.64 16 4 C -0.13 -6.73 5.89 -20.02 -0.12 -6.85 16 5 C -0.11 -4.43 9.43 22.69 0.21 -4.22 16 6 C 0.19 5.75 6.65 38.07 0.25 6.00 16 7 N -0.54 -12.89 4.96 -343.11 -1.70 -14.59 16 8 C 0.14 2.39 4.07 85.63 0.35 2.74 16 9 C -0.12 -1.94 5.28 -19.65 -0.10 -2.04 16 10 C -0.04 -0.06 9.66 22.24 0.21 0.16 16 11 C -0.09 0.12 10.04 22.33 0.22 0.34 16 12 C -0.04 -0.24 10.03 22.24 0.22 -0.02 16 13 C -0.14 -3.16 9.75 22.49 0.22 -2.94 16 14 C 0.31 9.39 9.76 22.83 0.22 9.61 16 15 O -0.85 -45.43 13.35 -127.47 -1.70 -47.13 16 16 O -1.02 -68.79 17.25 -127.47 -2.20 -70.98 16 17 C -0.10 -2.33 9.30 22.42 0.21 -2.12 16 18 C -0.13 -3.41 8.66 22.36 0.19 -3.22 16 19 C 0.15 6.04 4.68 38.71 0.18 6.22 16 20 N -0.51 -20.07 2.54 -694.50 -1.76 -21.83 16 21 C 0.07 2.32 5.16 86.33 0.45 2.76 16 22 C -0.12 -3.37 6.09 30.65 0.19 -3.18 16 23 C -0.11 -2.42 6.00 30.67 0.18 -2.24 16 24 C -0.11 -3.06 6.09 30.65 0.19 -2.88 16 25 C 0.07 2.01 5.11 86.32 0.44 2.45 16 26 H 0.12 5.50 7.65 -2.91 -0.02 5.48 16 27 H 0.41 10.24 8.47 -92.70 -0.79 9.45 16 28 H 0.12 3.15 5.58 -2.39 -0.01 3.14 16 29 H 0.18 0.59 7.80 -2.39 -0.02 0.57 16 30 H 0.22 -1.91 8.03 -2.91 -0.02 -1.93 16 31 H 0.21 -2.41 8.06 -2.91 -0.02 -2.43 16 32 H 0.20 -0.45 8.06 -2.91 -0.02 -0.47 16 33 H 0.14 4.14 7.77 -2.91 -0.02 4.12 16 34 H 0.28 16.39 8.90 -74.06 -0.66 15.73 16 35 H 0.26 17.79 8.90 -74.05 -0.66 17.13 16 36 H 0.18 2.59 6.70 -2.91 -0.02 2.57 16 37 H 0.17 3.18 7.10 -2.91 -0.02 3.16 16 38 H 0.06 1.61 7.53 -2.39 -0.02 1.60 16 39 H 0.04 1.50 8.10 -2.39 -0.02 1.48 16 40 H 0.04 1.42 8.14 -2.39 -0.02 1.40 16 41 H 0.09 2.08 8.14 -2.39 -0.02 2.06 16 42 H 0.08 1.50 8.14 -2.39 -0.02 1.48 16 43 H 0.08 1.44 8.14 -2.39 -0.02 1.42 16 44 H 0.04 1.33 8.14 -2.39 -0.02 1.31 16 45 H 0.10 1.88 8.14 -2.39 -0.02 1.86 16 46 H 0.05 1.76 8.10 -2.39 -0.02 1.74 16 47 H 0.07 1.42 7.32 -2.39 -0.02 1.41 16 Total: -1.00 -144.19 383.84 -4.98 -149.16