REAL300000674676.mol2 38 1 C -0.16 -3.16 7.88 37.16 0.29 -2.87 16 2 C -0.02 -0.39 0.51 -154.51 -0.08 -0.46 16 3 C -0.16 -3.04 7.88 37.16 0.29 -2.75 16 4 C -0.18 -4.05 4.85 -27.88 -0.14 -4.18 16 5 C 0.49 15.24 7.46 36.01 0.27 15.51 16 6 O -0.68 -21.87 12.24 -20.22 -0.25 -22.12 16 7 O -0.71 -24.85 18.00 -20.23 -0.36 -25.21 16 8 C -0.13 -1.58 4.77 -27.88 -0.13 -1.71 16 9 C 0.52 5.41 7.09 -10.99 -0.08 5.33 16 10 O -0.48 -6.34 8.80 5.55 0.05 -6.29 16 11 N -0.68 -4.28 5.34 -9.86 -0.05 -4.33 16 12 C 0.22 1.36 6.29 -83.69 -0.53 0.84 16 13 C -0.11 -0.59 8.70 -39.39 -0.34 -0.94 16 14 C -0.04 -0.13 10.04 -39.61 -0.40 -0.53 16 15 C -0.13 -0.70 8.62 -39.55 -0.34 -1.04 16 16 C 0.39 3.32 4.82 -39.61 -0.19 3.13 16 17 F -0.14 -2.62 16.66 2.25 0.04 -2.58 16 18 F -0.16 -2.32 15.32 2.25 0.03 -2.28 16 19 F -0.18 -2.59 15.29 2.25 0.03 -2.56 16 20 F -0.17 -2.46 15.30 2.25 0.03 -2.42 16 21 F -0.16 -2.40 15.33 2.25 0.03 -2.36 16 22 C -0.16 -1.05 8.54 -39.39 -0.34 -1.39 16 23 H 0.06 1.08 5.51 -51.93 -0.29 0.80 16 24 H 0.03 0.48 8.14 -51.93 -0.42 0.06 16 25 H 0.10 2.42 5.50 -51.93 -0.29 2.13 16 26 H 0.10 2.37 5.50 -51.93 -0.29 2.09 16 27 H 0.03 0.46 8.14 -51.93 -0.42 0.04 16 28 H 0.06 1.01 5.51 -51.93 -0.29 0.72 16 29 H 0.06 1.19 8.14 -51.93 -0.42 0.77 16 30 H 0.06 1.18 8.14 -51.92 -0.42 0.76 16 31 H 0.10 0.94 8.14 -51.93 -0.42 0.52 16 32 H 0.10 0.99 8.14 -51.93 -0.42 0.57 16 33 H 0.42 1.37 8.82 -40.82 -0.36 1.01 16 34 H 0.18 1.16 6.24 -52.49 -0.33 0.84 16 35 H 0.18 0.00 8.06 -52.49 -0.42 -0.42 16 36 H 0.18 0.79 7.39 -52.49 -0.39 0.40 16 37 H 0.18 1.10 7.39 -52.48 -0.39 0.72 16 Total: -1.00 -42.51 318.48 -2.91 -45.42