REAL300009850850.mol2 45 1 O -0.68 -25.81 17.40 -26.63 -0.46 -26.27 16 2 C 0.50 17.58 8.13 36.01 0.29 17.88 16 3 O -0.69 -25.97 18.00 -20.23 -0.36 -26.33 16 4 C 0.00 0.01 6.50 36.01 0.23 0.24 16 5 O -0.35 -9.03 9.86 -55.08 -0.54 -9.57 16 6 C 0.13 2.41 5.93 36.00 0.21 2.63 16 7 C 0.07 1.16 7.07 -35.08 -0.25 0.91 16 8 C -0.06 -0.97 6.81 -83.02 -0.57 -1.54 16 9 C 0.62 10.23 7.85 -12.52 -0.10 10.13 16 10 O -0.51 -10.33 15.13 5.27 0.08 -10.25 16 11 N -0.61 -7.25 3.34 -172.04 -0.57 -7.82 16 12 C 0.10 0.84 6.15 -2.34 -0.01 0.83 16 13 C -0.12 -0.51 6.44 -25.10 -0.16 -0.67 16 14 C -0.09 -0.43 0.92 -154.42 -0.14 -0.57 16 15 C -0.09 -0.16 6.89 -26.46 -0.18 -0.35 16 16 C -0.18 -0.59 4.25 -89.58 -0.38 -0.97 16 17 C 0.39 1.17 8.98 37.16 0.33 1.51 16 18 O -0.73 -11.44 17.78 -57.73 -1.03 -12.47 16 19 O -0.73 -10.77 17.78 -57.73 -1.03 -11.79 16 20 C -0.11 -0.43 6.98 -26.37 -0.18 -0.62 16 21 C 0.13 1.20 6.23 -3.53 -0.02 1.18 16 22 N -0.47 -5.88 8.45 -11.48 -0.10 -5.98 16 23 C 0.18 1.84 13.19 51.96 0.69 2.52 16 24 O -0.19 -2.73 10.73 6.50 0.07 -2.66 16 25 H 0.05 1.15 8.14 -51.93 -0.42 0.73 16 26 H 0.05 1.32 8.14 -51.93 -0.42 0.90 16 27 H 0.06 1.03 8.14 -51.93 -0.42 0.61 16 28 H 0.10 1.82 6.48 -51.93 -0.34 1.49 16 29 H 0.10 0.90 6.17 -51.93 -0.32 0.58 16 30 H 0.07 0.56 8.14 -51.93 -0.42 0.14 16 31 H 0.09 0.16 7.98 -51.93 -0.41 -0.25 16 32 H 0.08 0.38 8.14 -51.93 -0.42 -0.04 16 33 H 0.10 0.29 8.04 -51.93 -0.42 -0.12 16 34 H 0.10 -0.12 7.99 -51.93 -0.41 -0.54 16 35 H 0.14 0.76 8.14 -51.93 -0.42 0.33 16 36 H 0.14 -0.10 7.88 -51.93 -0.41 -0.51 16 37 H 0.14 -0.03 8.14 -51.93 -0.42 -0.45 16 38 H 0.33 4.63 8.90 45.56 0.41 5.03 16 39 H 0.33 4.42 8.90 45.56 0.41 4.83 16 40 H 0.10 0.24 7.92 -51.93 -0.41 -0.17 16 41 H 0.09 0.53 8.01 -51.93 -0.42 0.12 16 42 H 0.08 0.78 7.99 -51.93 -0.41 0.36 16 43 H 0.08 0.77 7.89 -51.93 -0.41 0.36 16 44 H 0.26 1.07 8.06 -52.49 -0.42 0.65 16 Total: -1.00 -55.27 379.98 -4.99 -60.26