REAL300017240205.mol2 35 1 O -0.68 -23.58 17.18 -20.23 -0.35 -23.93 16 2 C 0.53 16.57 7.86 36.00 0.28 16.85 16 3 O -0.69 -23.54 17.78 -20.23 -0.36 -23.90 16 4 C -0.20 -4.41 2.91 -154.26 -0.45 -4.86 16 5 C -0.12 -2.04 9.77 -26.73 -0.26 -2.30 16 6 C -0.17 -2.98 6.84 -89.22 -0.61 -3.59 16 7 H 0.12 2.26 8.14 -51.93 -0.42 1.84 16 8 C 0.15 1.90 7.08 -2.41 -0.02 1.88 16 9 N -1.01 -14.67 3.80 -108.45 -0.41 -15.08 16 10 S 2.71 34.99 6.03 -107.50 -0.65 34.34 16 11 O -0.92 -15.69 16.54 -57.17 -0.95 -16.63 16 12 O -0.93 -12.57 16.69 -57.17 -0.95 -13.53 16 13 C -0.63 -5.22 5.97 -39.58 -0.24 -5.46 16 14 C -0.01 -0.03 9.52 -39.58 -0.38 -0.40 16 15 C -0.08 -0.17 10.05 -39.58 -0.40 -0.57 16 16 C -0.06 -0.32 8.62 -39.59 -0.34 -0.66 16 17 C 0.36 3.50 4.82 -39.58 -0.19 3.31 16 18 F -0.13 -2.45 16.66 2.25 0.04 -2.41 16 19 F -0.18 -2.79 15.32 2.25 0.03 -2.76 16 20 F -0.15 -2.55 15.30 2.25 0.03 -2.52 16 21 F -0.18 -2.74 15.31 2.25 0.03 -2.71 16 22 F -0.15 -2.60 15.32 2.25 0.03 -2.57 16 23 C -0.01 -0.13 8.10 -39.58 -0.32 -0.45 16 24 C 0.16 3.00 6.81 -1.09 -0.01 2.99 16 25 H 0.11 1.99 8.14 -51.93 -0.42 1.57 16 26 H 0.09 1.18 8.14 -51.93 -0.42 0.76 16 27 H 0.09 0.93 7.73 -51.93 -0.40 0.53 16 28 H 0.07 0.65 8.14 -51.93 -0.42 0.23 16 29 H 0.18 0.32 7.62 -52.49 -0.40 -0.08 16 30 H 0.19 -0.43 8.06 -52.49 -0.42 -0.85 16 31 H 0.19 0.68 7.40 -52.48 -0.39 0.29 16 32 H 0.20 2.16 6.96 -52.49 -0.37 1.79 16 33 H 0.07 0.98 8.10 -51.93 -0.42 0.56 16 34 H 0.11 2.30 7.03 -51.93 -0.36 1.94 16 Total: -1.00 -45.49 329.74 -5.90 -51.40