REAL300018329492.mol2 37 1 O -0.67 -24.57 17.40 -26.63 -0.46 -25.03 16 2 C 0.50 16.71 8.13 36.01 0.29 17.00 16 3 O -0.69 -24.69 18.00 -20.22 -0.36 -25.06 16 4 C 0.00 -0.11 5.30 36.01 0.19 0.08 16 5 O -0.29 -7.06 9.67 -39.59 -0.38 -7.44 16 6 C 0.09 1.82 6.69 -39.24 -0.26 1.56 16 7 C -0.12 -1.84 9.98 -39.46 -0.39 -2.24 16 8 C -0.15 -1.79 9.89 -39.40 -0.39 -2.18 16 9 C 0.16 1.68 6.66 -83.70 -0.56 1.13 16 10 N -0.75 -4.97 5.73 -59.77 -0.34 -5.31 16 11 C 0.17 0.69 5.03 -5.20 -0.03 0.66 16 12 C -0.09 -0.25 5.25 -104.53 -0.55 -0.80 16 13 C -0.06 -0.14 9.68 -39.63 -0.38 -0.52 16 14 C -0.11 -0.51 9.75 -39.25 -0.38 -0.90 16 15 C 0.33 2.41 9.80 -38.72 -0.38 2.03 16 16 O -0.67 -9.67 17.25 -57.73 -1.00 -10.67 16 17 O -0.67 -9.67 17.25 -57.73 -1.00 -10.67 16 18 C -0.11 -0.51 9.75 -39.25 -0.38 -0.90 16 19 C -0.06 -0.14 9.68 -39.63 -0.38 -0.52 16 20 C -0.15 -1.86 9.31 -39.40 -0.37 -2.22 16 21 C -0.17 -2.79 9.03 -39.46 -0.36 -3.14 16 22 H 0.06 1.32 7.66 -51.93 -0.40 0.93 16 23 H 0.06 1.33 7.66 -51.93 -0.40 0.93 16 24 H 0.13 2.02 8.06 -52.49 -0.42 1.60 16 25 H 0.12 1.15 8.06 -52.48 -0.42 0.73 16 26 H 0.40 2.11 8.48 -40.82 -0.35 1.76 16 27 H 0.08 0.29 7.88 -51.93 -0.41 -0.12 16 28 H 0.08 0.29 7.90 -51.93 -0.41 -0.12 16 29 H 0.17 0.11 8.06 -52.48 -0.42 -0.32 16 30 H 0.17 0.83 7.77 -52.49 -0.41 0.43 16 31 H 0.33 3.89 8.90 45.56 0.41 4.30 16 32 H 0.33 3.89 8.90 45.56 0.41 4.30 16 33 H 0.17 0.83 7.77 -52.49 -0.41 0.43 16 34 H 0.17 0.11 8.06 -52.48 -0.42 -0.32 16 35 H 0.12 1.11 6.73 -52.48 -0.35 0.76 16 36 H 0.13 2.04 6.29 -52.49 -0.33 1.71 16 Total: -1.00 -45.94 327.42 -7.28 -53.22