REAL300009850692.mol2 38 1 O -0.69 -20.78 16.18 -20.22 -0.33 -21.10 16 2 C 0.51 14.28 7.22 36.01 0.26 14.54 16 3 O -0.67 -20.80 16.03 -20.23 -0.32 -21.13 16 4 C -0.15 -3.38 2.79 -92.92 -0.26 -3.64 16 5 C 0.56 11.30 6.37 -10.99 -0.07 11.23 16 6 O -0.53 -11.33 13.31 5.55 0.07 -11.26 16 7 N -0.66 -11.22 4.79 -9.88 -0.05 -11.27 16 8 C 0.21 2.93 6.26 -83.75 -0.52 2.40 16 9 C -0.15 -1.77 9.69 -38.95 -0.38 -2.14 16 10 C -0.03 -0.26 5.74 -106.77 -0.61 -0.87 16 11 C -0.06 -0.44 9.73 -39.53 -0.38 -0.82 16 12 C -0.12 -1.09 9.65 -39.64 -0.38 -1.47 16 13 C 0.32 3.88 9.78 -38.67 -0.38 3.50 16 14 O -0.69 -12.29 17.20 -57.73 -0.99 -13.29 16 15 O -0.69 -12.47 17.19 -57.73 -0.99 -13.47 16 16 C -0.08 -0.81 9.49 -38.78 -0.37 -1.17 16 17 C -0.05 -0.47 5.74 -106.81 -0.61 -1.08 16 18 C -0.08 -0.81 9.74 -39.48 -0.38 -1.20 16 19 C -0.10 -1.27 8.54 -39.75 -0.34 -1.61 16 20 C -0.11 -2.34 4.74 -90.62 -0.43 -2.77 16 21 C -0.19 -3.17 10.18 -26.69 -0.27 -3.44 16 22 C -0.16 -3.04 9.46 -26.69 -0.25 -3.30 16 23 H 0.10 1.89 7.90 -51.93 -0.41 1.48 16 24 H 0.42 6.81 8.29 -40.82 -0.34 6.47 16 25 H 0.15 1.52 8.06 -52.48 -0.42 1.10 16 26 H 0.17 0.84 8.06 -52.48 -0.42 0.41 16 27 H 0.17 1.51 7.73 -52.49 -0.41 1.10 16 28 H 0.33 4.95 8.90 45.56 0.41 5.35 16 29 H 0.33 4.99 8.90 45.56 0.41 5.40 16 30 H 0.17 1.73 7.73 -52.48 -0.41 1.32 16 31 H 0.14 1.10 8.06 -52.49 -0.42 0.68 16 32 H 0.15 2.08 6.39 -52.49 -0.34 1.74 16 33 H 0.11 2.27 7.47 -51.93 -0.39 1.88 16 34 H 0.09 1.31 8.05 -51.93 -0.42 0.90 16 35 H 0.09 1.25 8.14 -51.93 -0.42 0.83 16 36 H 0.08 1.48 8.14 -51.93 -0.42 1.05 16 37 H 0.11 2.34 6.99 -51.93 -0.36 1.98 16 Total: -1.00 -39.29 328.64 -7.41 -46.70