REAL300019764243.mol2 37 1 O -0.54 -21.05 14.99 -3.92 -0.06 -21.11 16 2 C 0.56 17.70 7.73 86.75 0.67 18.37 16 3 N -0.70 -22.06 4.96 -452.68 -2.25 -24.30 16 4 C 0.31 11.49 2.71 43.50 0.12 11.61 16 5 C 0.05 2.71 7.16 138.33 0.99 3.70 16 6 N -0.38 -21.26 12.45 -50.85 -0.63 -21.90 16 7 N -0.22 -13.47 13.46 37.02 0.50 -12.97 16 8 N -0.22 -13.49 13.46 37.02 0.50 -12.99 16 9 N -0.39 -22.39 12.45 -50.85 -0.63 -23.02 16 10 C -0.06 -1.86 4.94 -19.87 -0.10 -1.95 16 11 C -0.09 -2.35 9.67 22.27 0.22 -2.13 16 12 C -0.07 -1.47 9.83 22.28 0.22 -1.26 16 13 C -0.07 -1.92 6.33 22.36 0.14 -1.77 16 14 Cl -0.04 -1.00 28.62 -2.72 -0.08 -1.08 16 15 C 0.10 2.91 7.28 22.39 0.16 3.07 16 16 F -0.13 -4.18 16.84 44.97 0.76 -3.42 16 17 C -0.13 -4.09 9.03 22.31 0.20 -3.89 16 18 C -0.13 -2.89 5.87 -20.08 -0.12 -3.01 16 19 C -0.05 -0.93 9.24 22.74 0.21 -0.72 16 20 C 0.31 5.69 9.79 22.82 0.22 5.92 16 21 O -0.70 -21.42 17.23 -127.47 -2.20 -23.61 16 22 O -0.72 -25.31 17.23 -127.47 -2.20 -27.50 16 23 C -0.02 -0.20 9.74 22.52 0.22 0.02 16 24 C -0.07 -0.37 10.00 22.25 0.22 -0.14 16 25 C 0.18 2.80 7.29 22.77 0.17 2.96 16 26 F -0.10 -2.12 15.54 44.97 0.70 -1.42 16 27 H 0.41 11.16 4.90 -92.71 -0.45 10.71 16 28 H 0.12 4.33 7.44 -2.38 -0.02 4.32 16 29 H 0.17 3.49 8.03 -2.91 -0.02 3.47 16 30 H 0.18 2.65 8.06 -2.91 -0.02 2.63 16 31 H 0.14 4.43 6.92 -2.91 -0.02 4.41 16 32 H 0.18 3.77 6.10 -2.91 -0.02 3.75 16 33 H 0.34 9.04 8.90 -74.06 -0.66 8.38 16 34 H 0.34 10.25 8.90 -74.05 -0.66 9.59 16 35 H 0.22 0.90 7.76 -2.91 -0.02 0.88 16 36 H 0.24 -1.18 8.06 -2.91 -0.02 -1.20 16 Total: -1.00 -91.65 358.90 -3.97 -95.61