REAL300031637135.mol2 29 1 O -0.45 -4.82 12.46 5.55 0.07 -4.75 15 2 C 0.47 2.30 7.15 -10.98 -0.08 2.22 15 3 C 0.36 0.73 5.47 36.01 0.20 0.92 15 4 F 0.00 0.04 16.66 2.25 0.04 0.08 15 5 F -0.07 -0.91 13.72 2.25 0.03 -0.88 15 6 F -0.20 -2.27 15.87 2.25 0.04 -2.23 15 7 F -0.20 -2.69 13.70 2.25 0.03 -2.66 15 8 F -0.29 -3.39 15.88 2.25 0.04 -3.36 15 9 N -0.70 -1.98 5.56 -60.30 -0.33 -2.32 15 10 C 0.11 0.70 5.79 -4.04 -0.02 0.67 15 11 C 0.11 1.05 5.79 -4.04 -0.02 1.03 15 12 N -0.73 -10.74 5.55 -61.36 -0.34 -11.08 15 13 C 0.61 13.36 7.81 -12.48 -0.10 13.26 15 14 O -0.50 -12.74 15.72 -13.00 -0.20 -12.94 15 15 C -0.06 -1.41 6.69 -83.92 -0.56 -1.98 15 16 N -0.50 -10.76 10.83 24.02 0.26 -10.50 15 17 S 0.40 8.53 24.20 -107.50 -2.60 5.92 15 18 N -0.60 -16.65 12.18 28.49 0.35 -16.31 15 19 C 0.38 11.57 8.19 -17.49 -0.14 11.43 15 20 O -0.66 -23.18 17.64 -37.37 -0.66 -23.84 15 21 H 0.18 -0.49 7.65 -51.92 -0.40 -0.89 15 22 H 0.19 -0.53 7.65 -51.93 -0.40 -0.93 15 23 H 0.41 -0.45 8.47 -40.82 -0.35 -0.80 15 24 H 0.09 0.62 8.14 -51.93 -0.42 0.20 15 25 H 0.09 0.61 8.14 -51.93 -0.42 0.19 15 26 H 0.08 0.69 8.14 -51.92 -0.42 0.27 15 27 H 0.08 0.69 8.14 -51.93 -0.42 0.27 15 28 H 0.41 5.40 7.96 -40.82 -0.32 5.08 15 Total: -1.00 -46.74 291.15 -2.79 -49.53