REAL300018286298.mol2 37 1 O -0.62 -7.20 18.00 -20.22 -0.36 -7.56 16 2 C 0.50 2.54 6.09 36.00 0.22 2.76 16 3 O -0.66 -4.82 16.46 -20.23 -0.33 -5.15 16 4 C -0.01 0.02 2.29 -70.02 -0.16 -0.14 16 5 N -0.49 5.54 1.06 -110.46 -0.12 5.42 16 6 H 0.41 -6.68 8.44 -39.29 -0.33 -7.02 16 7 H 0.43 -4.86 6.42 -39.29 -0.25 -5.11 16 8 C 0.05 -0.54 5.21 -4.98 -0.03 -0.57 16 9 C -0.14 1.64 5.36 -104.53 -0.56 1.08 16 10 C -0.05 0.61 9.68 -39.63 -0.38 0.23 16 11 C -0.11 0.77 9.75 -39.25 -0.38 0.39 16 12 C 0.33 -1.12 9.80 -38.72 -0.38 -1.50 16 13 O -0.65 -3.13 17.25 -57.73 -1.00 -4.13 16 14 O -0.64 -3.26 17.25 -57.73 -1.00 -4.26 16 15 C -0.11 0.63 9.75 -39.25 -0.38 0.25 16 16 C -0.04 0.41 9.68 -39.63 -0.38 0.02 16 17 C -0.11 0.34 4.95 -104.56 -0.52 -0.18 16 18 C -0.14 0.63 9.13 -39.52 -0.36 0.27 16 19 C 0.11 -0.29 7.30 -39.43 -0.29 -0.58 16 20 F -0.13 0.17 17.27 2.25 0.04 0.21 16 21 C -0.11 0.36 10.02 -39.52 -0.40 -0.03 16 22 C -0.11 0.30 10.02 -39.53 -0.40 -0.10 16 23 C 0.12 -0.13 7.24 -39.43 -0.29 -0.41 16 24 F -0.11 -0.17 16.57 2.25 0.04 -0.13 16 25 H 0.15 -0.88 7.73 -51.93 -0.40 -1.28 16 26 H 0.16 -1.28 6.67 -51.93 -0.35 -1.63 16 27 H 0.14 -2.01 8.05 -51.93 -0.42 -2.43 16 28 H 0.17 -2.52 8.06 -52.48 -0.42 -2.95 16 29 H 0.18 -1.15 7.77 -52.49 -0.41 -1.56 16 30 H 0.34 0.88 8.90 45.56 0.41 1.29 16 31 H 0.34 0.93 8.90 45.56 0.41 1.33 16 32 H 0.18 -0.91 7.77 -52.49 -0.41 -1.31 16 33 H 0.18 -1.80 8.06 -52.48 -0.42 -2.23 16 34 H 0.14 -1.12 6.40 -52.49 -0.34 -1.46 16 35 H 0.15 -0.77 8.06 -52.48 -0.42 -1.19 16 36 H 0.16 -0.68 8.06 -52.49 -0.42 -1.10 16 Total: 0.00 -29.54 329.46 -6.23 -35.77