REAL300005947748.mol2 38 1 C 0.08 0.55 9.11 127.77 1.16 1.71 16 2 N -0.59 -8.97 2.86 -854.19 -2.44 -11.41 16 3 C 0.15 1.10 5.46 85.63 0.47 1.57 16 4 C -0.05 -0.38 5.46 -19.87 -0.11 -0.49 16 5 C -0.05 0.25 9.70 22.27 0.22 0.47 16 6 C -0.03 0.12 10.05 22.27 0.22 0.34 16 7 C -0.11 -0.92 8.62 22.27 0.19 -0.73 16 8 C 0.31 6.65 4.82 22.27 0.11 6.76 16 9 F -0.22 -10.71 16.66 44.97 0.75 -9.96 16 10 F -0.15 -5.01 15.31 44.97 0.69 -4.32 16 11 F -0.17 -7.63 15.31 44.97 0.69 -6.95 16 12 F -0.16 -5.90 15.32 44.97 0.69 -5.21 16 13 F -0.17 -6.67 15.31 44.97 0.69 -5.98 16 14 C -0.12 -2.35 8.12 22.27 0.18 -2.17 16 15 C 0.57 17.40 7.64 86.88 0.66 18.07 16 16 O -0.57 -22.43 15.14 -3.78 -0.06 -22.49 16 17 C 0.06 1.98 6.57 41.89 0.28 2.26 16 18 C -0.10 -4.60 9.20 22.91 0.21 -4.39 16 19 C -0.14 -7.22 5.90 -19.92 -0.12 -7.34 16 20 C 0.50 34.48 8.03 70.38 0.57 35.05 16 21 O -0.72 -55.46 17.34 17.99 0.31 -55.15 16 22 O -0.71 -51.22 17.34 18.00 0.31 -50.91 16 23 C -0.11 -4.07 9.69 22.75 0.22 -3.85 16 24 C 0.11 2.68 11.17 84.83 0.95 3.63 16 25 N -0.42 -10.85 6.13 -185.07 -1.13 -11.99 16 26 H 0.07 0.49 8.00 -2.39 -0.02 0.48 16 27 H 0.08 0.96 5.77 -2.39 -0.01 0.95 16 28 H 0.12 -0.53 8.03 -2.39 -0.02 -0.55 16 29 H 0.08 1.11 7.45 -2.38 -0.02 1.09 16 30 H 0.18 -0.92 8.02 -2.39 -0.02 -0.94 16 31 H 0.23 -3.72 8.06 -2.91 -0.02 -3.74 16 32 H 0.24 -3.53 8.06 -2.91 -0.02 -3.56 16 33 H 0.19 1.33 7.40 -2.91 -0.02 1.30 16 34 H 0.14 4.19 6.71 -2.91 -0.02 4.17 16 35 H 0.11 6.01 7.34 -2.91 -0.02 5.99 16 36 H 0.15 5.52 7.73 -2.91 -0.02 5.50 16 37 H 0.23 2.78 8.06 -2.91 -0.02 2.76 16 Total: -1.00 -125.50 346.90 5.46 -120.04