REAL300031637135.mol2 29 1 O -0.51 -9.59 12.46 -3.04 -0.04 -9.63 15 2 C 0.46 2.15 7.15 87.66 0.63 2.78 15 3 C 0.38 -1.24 5.47 71.24 0.39 -0.85 15 4 F -0.24 -8.82 16.66 44.97 0.75 -8.07 15 5 F -0.13 -3.37 13.72 44.97 0.62 -2.75 15 6 F -0.19 -3.79 15.87 44.97 0.71 -3.08 15 7 F -0.13 -3.46 13.70 44.97 0.62 -2.84 15 8 F -0.19 -3.70 15.88 44.97 0.71 -2.98 15 9 N -0.68 0.18 5.56 -463.07 -2.57 -2.39 15 10 C 0.12 1.01 5.79 86.38 0.50 1.51 15 11 C 0.11 1.64 5.79 86.38 0.50 2.14 15 12 N -0.70 -18.82 5.55 -466.29 -2.59 -21.41 15 13 C 0.61 25.97 7.81 86.69 0.68 26.65 15 14 O -0.55 -27.85 15.72 13.48 0.21 -27.64 15 15 C -0.08 -4.16 6.69 41.98 0.28 -3.88 15 16 N -0.47 -19.05 10.83 -77.91 -0.84 -19.89 15 17 S 0.51 20.18 24.20 -56.49 -1.37 18.81 15 18 N -0.64 -35.52 12.18 -177.24 -2.16 -37.68 15 19 C 0.36 21.61 8.19 85.12 0.70 22.30 15 20 O -0.73 -53.22 17.64 -73.71 -1.30 -54.52 15 21 H 0.25 -3.98 7.65 -2.38 -0.02 -4.00 15 22 H 0.25 -4.01 7.65 -2.39 -0.02 -4.03 15 23 H 0.44 -4.18 8.47 -92.71 -0.79 -4.97 15 24 H 0.09 0.87 8.14 -2.39 -0.02 0.85 15 25 H 0.09 0.86 8.14 -2.39 -0.02 0.84 15 26 H 0.09 1.21 8.14 -2.38 -0.02 1.19 15 27 H 0.09 1.21 8.14 -2.39 -0.02 1.19 15 28 H 0.42 9.68 7.96 -92.71 -0.74 8.94 15 Total: -1.00 -118.17 291.15 -5.21 -123.38