REAL300018345595.mol2 37 1 O -0.70 -20.71 18.00 19.04 0.34 -20.37 16 2 C 0.48 7.27 6.08 71.23 0.43 7.70 16 3 O -0.70 -15.09 16.46 19.04 0.31 -14.77 16 4 C 0.04 -0.33 2.23 43.42 0.10 -0.23 16 5 N -0.47 11.62 0.99 -503.38 -0.50 11.12 16 6 H 0.45 -17.45 8.32 -89.70 -0.75 -18.20 16 7 H 0.43 -9.75 6.52 -89.69 -0.58 -10.33 16 8 C 0.05 -1.21 5.21 85.56 0.45 -0.76 16 9 C -0.07 1.90 5.35 -19.89 -0.11 1.79 16 10 C -0.04 1.22 9.70 22.33 0.22 1.43 16 11 C -0.04 1.13 10.03 22.24 0.22 1.36 16 12 C -0.09 1.31 9.75 22.48 0.22 1.53 16 13 C 0.31 -1.39 9.80 22.82 0.22 -1.16 16 14 O -0.75 -16.52 17.25 -127.47 -2.20 -18.72 16 15 O -0.74 -13.97 17.25 -127.47 -2.20 -16.17 16 16 C -0.10 1.11 9.40 22.49 0.21 1.32 16 17 C -0.15 0.82 5.00 -19.82 -0.10 0.72 16 18 C -0.09 1.17 9.07 22.26 0.20 1.37 16 19 C -0.12 1.29 10.04 22.27 0.22 1.51 16 20 C -0.08 0.61 10.04 22.26 0.22 0.83 16 21 C -0.16 0.30 10.03 22.31 0.22 0.53 16 22 C 0.09 0.17 7.24 22.38 0.16 0.33 16 23 F -0.15 -1.32 16.67 44.97 0.75 -0.57 16 24 H 0.17 -2.12 7.89 -2.39 -0.02 -2.14 16 25 H 0.11 -1.46 6.67 -2.39 -0.02 -1.48 16 26 H 0.20 -7.09 8.05 -2.39 -0.02 -7.11 16 27 H 0.24 -10.58 8.06 -2.91 -0.02 -10.60 16 28 H 0.23 -8.14 8.06 -2.91 -0.02 -8.16 16 29 H 0.17 -2.09 7.77 -2.91 -0.02 -2.12 16 30 H 0.33 6.37 8.90 -74.06 -0.66 5.71 16 31 H 0.33 5.53 8.90 -74.06 -0.66 4.87 16 32 H 0.16 -0.61 7.77 -2.91 -0.02 -0.63 16 33 H 0.17 -3.69 6.35 -2.91 -0.02 -3.71 16 34 H 0.17 -2.72 8.06 -2.92 -0.02 -2.74 16 35 H 0.16 -1.87 8.06 -2.91 -0.02 -1.89 16 36 H 0.14 -0.44 8.06 -2.91 -0.02 -0.47 16 Total: 0.00 -96.74 323.04 -3.47 -100.21