REAL300019672468.mol2 34 1 O -0.54 -22.03 15.63 -3.92 -0.06 -22.09 16 2 C 0.59 22.36 7.63 86.75 0.66 23.02 16 3 C -0.15 -5.23 5.72 -20.08 -0.11 -5.35 16 4 C -0.10 -3.82 6.46 22.74 0.15 -3.67 16 5 C 0.28 10.87 9.79 22.82 0.22 11.10 16 6 O -0.59 -28.75 15.47 -127.47 -1.97 -30.72 16 7 O -0.78 -37.26 17.23 -127.47 -2.20 -39.46 16 8 C -0.04 -1.12 9.74 22.52 0.22 -0.90 16 9 C -0.09 -1.79 10.00 22.25 0.22 -1.57 16 10 C 0.17 4.86 7.29 22.77 0.17 5.02 16 11 F -0.09 -2.76 15.55 44.97 0.70 -2.06 16 12 N -0.59 -20.61 2.96 -804.77 -2.39 -23.00 16 13 C 0.10 2.69 6.90 86.85 0.60 3.29 16 14 C -0.11 -2.13 7.08 31.98 0.23 -1.90 16 15 C -0.12 -3.28 6.47 31.78 0.21 -3.08 16 16 C 0.22 8.12 2.67 44.59 0.12 8.24 16 17 C 0.03 1.38 4.09 138.59 0.57 1.94 16 18 N -0.39 -21.38 12.30 -51.29 -0.63 -22.01 16 19 N -0.22 -13.68 13.47 37.02 0.50 -13.18 16 20 N -0.21 -13.15 13.47 37.02 0.50 -12.65 16 21 N -0.35 -19.43 9.50 -51.29 -0.49 -19.92 16 22 H 0.22 9.11 1.48 -6.53 -0.01 9.10 16 23 H 0.34 14.46 8.90 -74.06 -0.66 13.80 16 24 H 0.32 14.04 8.90 -74.06 -0.66 13.38 16 25 H 0.21 4.61 7.76 -2.91 -0.02 4.59 16 26 H 0.24 1.95 8.06 -2.91 -0.02 1.93 16 27 H 0.10 2.33 8.07 -2.38 -0.02 2.31 16 28 H 0.06 1.85 8.14 -2.39 -0.02 1.83 16 29 H 0.11 1.55 8.14 -2.39 -0.02 1.53 16 30 H 0.12 1.67 8.14 -2.39 -0.02 1.65 16 31 H 0.11 2.63 8.14 -2.39 -0.02 2.61 16 32 H 0.06 1.98 7.84 -2.39 -0.02 1.96 16 33 H 0.10 3.67 6.05 -2.38 -0.01 3.65 16 Total: -1.00 -86.29 289.05 -4.30 -90.59