REAL300009850779.mol2 45 1 O -0.68 -25.50 17.32 -20.23 -0.35 -25.85 16 2 C 0.48 16.90 8.11 36.01 0.29 17.19 16 3 O -0.70 -26.84 18.00 -20.23 -0.36 -27.20 16 4 C 0.04 1.09 5.76 -5.19 -0.03 1.06 16 5 N -0.57 -12.90 2.30 -176.45 -0.41 -13.31 16 6 C 0.11 1.91 6.38 -4.58 -0.03 1.88 16 7 C -0.13 -1.49 6.01 -26.69 -0.16 -1.65 16 8 C -0.11 -1.38 5.26 -26.52 -0.14 -1.52 16 9 C -0.12 -1.89 1.97 -93.14 -0.18 -2.07 16 10 C 0.54 8.87 6.30 -10.99 -0.07 8.80 16 11 O -0.50 -11.15 15.58 -6.33 -0.10 -11.25 16 12 N -0.62 -6.66 2.97 -172.51 -0.51 -7.17 16 13 C 0.11 0.77 6.18 -3.49 -0.02 0.75 16 14 C -0.13 -0.71 5.38 -26.39 -0.14 -0.85 16 15 C -0.15 -0.54 1.95 -90.58 -0.18 -0.71 16 16 C 0.38 1.10 8.82 37.15 0.33 1.43 16 17 O -0.73 -10.59 17.78 -57.73 -1.03 -11.62 16 18 O -0.71 -9.40 16.37 -57.73 -0.94 -10.34 16 19 C -0.11 -0.36 5.36 -26.61 -0.14 -0.50 16 20 C 0.12 0.97 6.44 -3.71 -0.02 0.94 16 21 C 0.53 12.09 6.63 -11.87 -0.08 12.02 16 22 O -0.54 -14.97 15.35 -6.32 -0.10 -15.07 16 23 H 0.07 1.66 7.86 -51.93 -0.41 1.25 16 24 H 0.08 2.26 7.20 -51.93 -0.37 1.89 16 25 H 0.07 1.04 7.92 -51.93 -0.41 0.63 16 26 H 0.07 1.37 8.14 -51.93 -0.42 0.95 16 27 H 0.09 0.75 8.14 -51.93 -0.42 0.33 16 28 H 0.07 0.69 8.12 -51.93 -0.42 0.27 16 29 H 0.08 1.28 8.09 -51.93 -0.42 0.85 16 30 H 0.08 0.63 7.88 -51.93 -0.41 0.22 16 31 H 0.12 1.37 6.18 -51.93 -0.32 1.05 16 32 H 0.08 0.54 8.14 -51.93 -0.42 0.12 16 33 H 0.09 0.63 5.30 -51.93 -0.28 0.36 16 34 H 0.08 0.34 8.14 -51.93 -0.42 -0.08 16 35 H 0.10 0.69 7.71 -51.93 -0.40 0.29 16 36 H 0.13 0.64 7.73 -51.93 -0.40 0.23 16 37 H 0.14 0.03 8.14 -51.93 -0.42 -0.40 16 38 H 0.14 -0.15 8.14 -51.92 -0.42 -0.57 16 39 H 0.33 4.19 8.90 45.56 0.41 4.59 16 40 H 0.33 3.94 8.90 45.56 0.41 4.35 16 41 H 0.09 0.25 8.14 -51.93 -0.42 -0.17 16 42 H 0.09 0.04 8.14 -51.93 -0.42 -0.39 16 43 H 0.11 1.16 7.00 -51.93 -0.36 0.80 16 44 H 0.08 0.53 8.14 -51.93 -0.42 0.11 16 Total: -1.00 -56.78 358.30 -6.18 -62.96