REAL300009850749.mol2 47 1 O -0.70 -49.76 15.50 19.05 0.30 -49.46 16 2 C 0.48 31.75 6.05 71.23 0.43 32.18 16 3 O -0.73 -53.59 17.97 19.05 0.34 -53.25 16 4 C 0.05 2.66 3.27 44.51 0.15 2.80 16 5 C -0.08 -3.84 6.38 30.39 0.19 -3.65 16 6 C 0.00 0.03 7.06 45.16 0.32 0.35 16 7 C 0.60 21.85 7.64 86.34 0.66 22.51 16 8 O -0.56 -24.89 16.37 -4.43 -0.07 -24.96 16 9 N -0.59 -14.14 2.97 -824.05 -2.45 -16.58 16 10 C 0.05 0.81 6.30 86.36 0.54 1.35 16 11 C -0.13 -1.01 6.08 30.67 0.19 -0.83 16 12 C -0.09 0.11 5.17 30.62 0.16 0.27 16 13 C -0.16 -1.36 2.04 -10.72 -0.02 -1.38 16 14 C 0.41 1.32 9.01 71.98 0.65 1.97 16 15 O -0.74 -26.86 14.59 -127.47 -1.86 -28.72 16 16 O -0.80 -27.20 17.78 -127.47 -2.27 -29.46 16 17 C 0.10 1.82 5.52 86.37 0.48 2.30 16 18 N -0.15 -5.66 7.56 -43.42 -0.33 -5.99 16 19 N -0.44 -20.08 3.61 -319.35 -1.15 -21.23 16 20 C 0.21 8.68 6.08 38.26 0.23 8.91 16 21 C -0.17 -7.58 8.19 22.41 0.18 -7.40 16 22 C -0.09 -3.17 10.04 22.25 0.22 -2.95 16 23 C -0.16 -4.04 10.04 22.30 0.22 -3.81 16 24 C -0.08 -1.93 10.04 22.25 0.22 -1.70 16 25 C -0.17 -5.33 9.64 22.41 0.22 -5.11 16 26 H 0.10 4.71 8.14 -2.38 -0.02 4.69 16 27 H 0.12 4.86 8.14 -2.39 -0.02 4.84 16 28 H 0.07 3.65 7.73 -2.39 -0.02 3.63 16 29 H 0.12 2.73 3.72 -97.11 -0.36 2.36 16 30 H 0.11 0.98 8.14 -2.38 -0.02 0.96 16 31 H 0.05 0.71 8.14 -2.39 -0.02 0.69 16 32 H 0.13 0.31 8.14 -2.39 -0.02 0.29 16 33 H 0.13 -0.96 8.14 -2.38 -0.02 -0.98 16 34 H 0.13 -1.09 8.14 -2.39 -0.02 -1.11 16 35 H 0.09 1.59 8.03 -2.39 -0.02 1.57 16 36 H 0.20 -1.46 8.14 -2.39 -0.02 -1.48 16 37 H 0.20 -1.44 8.14 -2.38 -0.02 -1.46 16 38 H 0.32 11.74 8.90 -74.06 -0.66 11.08 16 39 H 0.32 10.73 8.90 -74.06 -0.66 10.08 16 40 H 0.11 1.11 8.14 -2.39 -0.02 1.09 16 41 H 0.08 2.52 4.85 -2.39 -0.01 2.51 16 42 H 0.08 4.01 6.32 -2.91 -0.02 3.99 16 43 H 0.14 3.93 8.06 -2.91 -0.02 3.91 16 44 H 0.16 2.73 8.06 -2.91 -0.02 2.71 16 45 H 0.17 2.43 8.06 -2.91 -0.02 2.41 16 46 H 0.14 3.73 7.66 -2.91 -0.02 3.70 16 Total: -1.00 -123.89 376.64 -4.48 -128.37