REAL300019791619.mol2 38 1 O -0.54 -16.04 16.31 -3.93 -0.06 -16.10 16 2 C 0.57 13.12 6.91 86.75 0.60 13.72 16 3 C -0.13 -2.00 4.89 -20.08 -0.10 -2.10 16 4 C -0.05 -0.75 7.12 22.74 0.16 -0.59 16 5 C 0.31 4.59 9.79 22.82 0.22 4.81 16 6 O -0.71 -20.01 17.23 -127.47 -2.20 -22.20 16 7 O -0.72 -22.16 17.23 -127.47 -2.20 -24.36 16 8 C -0.03 -0.20 9.74 22.52 0.22 0.02 16 9 C -0.07 -0.17 10.00 22.25 0.22 0.05 16 10 C 0.16 1.85 7.28 22.77 0.17 2.02 16 11 F -0.11 -1.71 16.66 44.97 0.75 -0.97 16 12 N -0.59 -13.93 2.97 -822.48 -2.44 -16.37 16 13 C 0.13 3.41 6.18 86.36 0.53 3.94 16 14 C -0.10 -3.34 4.63 30.67 0.14 -3.19 16 15 C 0.25 9.22 0.94 -11.51 -0.01 9.21 16 16 O -0.55 -18.68 11.69 -148.98 -1.74 -20.42 16 17 C 0.04 1.85 6.86 138.59 0.95 2.80 16 18 N -0.39 -22.56 11.77 -51.30 -0.60 -23.17 16 19 N -0.22 -13.67 13.47 37.02 0.50 -13.17 16 20 N -0.22 -13.42 13.47 37.02 0.50 -12.92 16 21 N -0.39 -21.76 12.43 -51.30 -0.64 -22.39 16 22 C -0.14 -4.18 5.06 30.67 0.16 -4.03 16 23 C 0.11 2.34 5.29 86.36 0.46 2.80 16 24 H 0.19 2.91 7.07 -2.91 -0.02 2.89 16 25 H 0.34 8.32 8.90 -74.06 -0.66 7.66 16 26 H 0.34 8.98 8.90 -74.06 -0.66 8.32 16 27 H 0.21 0.57 7.76 -2.91 -0.02 0.55 16 28 H 0.24 -1.55 8.06 -2.91 -0.02 -1.57 16 29 H 0.09 2.34 7.81 -2.39 -0.02 2.32 16 30 H 0.10 2.60 7.03 -2.39 -0.02 2.58 16 31 H 0.07 2.74 8.14 -2.39 -0.02 2.73 16 32 H 0.07 2.54 8.14 -2.39 -0.02 2.52 16 33 H 0.39 11.81 9.04 -74.06 -0.67 11.14 16 34 H 0.07 2.06 8.14 -2.39 -0.02 2.04 16 35 H 0.09 2.65 8.14 -2.39 -0.02 2.64 16 36 H 0.10 1.98 7.81 -2.38 -0.02 1.96 16 37 H 0.11 1.73 4.73 -2.39 -0.01 1.72 16 Total: -1.00 -88.51 327.61 -6.62 -95.13