REAL300013493699.mol2 43 1 C -0.16 -2.13 9.21 37.16 0.34 -1.79 16 2 C -0.10 -1.69 4.06 -26.73 -0.11 -1.80 16 3 C -0.15 -2.98 0.31 -155.66 -0.05 -3.03 16 4 C -0.09 -1.67 4.29 -26.73 -0.11 -1.79 16 5 C -0.15 -2.73 9.29 37.16 0.35 -2.39 16 6 C 0.16 2.95 4.20 -4.04 -0.02 2.93 16 7 N -0.71 -11.72 5.01 -65.22 -0.33 -12.05 16 8 C 0.70 10.05 8.41 -86.92 -0.73 9.32 16 9 O -0.58 -9.17 13.79 5.29 0.07 -9.09 16 10 N -0.68 -6.96 5.34 -14.22 -0.08 -7.04 16 11 C 0.24 2.12 6.29 -83.69 -0.53 1.60 16 12 C -0.11 -0.75 8.70 -39.39 -0.34 -1.09 16 13 C -0.04 -0.19 10.04 -39.61 -0.40 -0.59 16 14 C -0.13 -0.89 8.62 -39.55 -0.34 -1.23 16 15 C 0.40 4.06 4.82 -39.61 -0.19 3.87 16 16 F -0.14 -2.82 16.67 2.25 0.04 -2.78 16 17 F -0.17 -2.66 15.30 2.25 0.03 -2.63 16 18 F -0.18 -2.88 15.30 2.25 0.03 -2.85 16 19 F -0.18 -2.76 15.32 2.25 0.03 -2.73 16 20 F -0.16 -2.70 15.31 2.25 0.03 -2.66 16 21 C -0.16 -1.47 8.54 -39.40 -0.34 -1.80 16 22 C 0.51 14.12 5.47 36.01 0.20 14.32 16 23 O -0.69 -21.91 16.26 -20.23 -0.33 -22.24 16 24 O -0.70 -20.99 16.08 -20.22 -0.33 -21.31 16 25 H 0.04 0.55 8.14 -51.93 -0.42 0.13 16 26 H 0.05 0.67 6.43 -51.93 -0.33 0.33 16 27 H 0.05 0.73 6.43 -51.93 -0.33 0.39 16 28 H 0.06 1.08 6.57 -51.93 -0.34 0.74 16 29 H 0.06 1.17 6.43 -51.93 -0.33 0.83 16 30 H 0.05 0.75 6.43 -51.93 -0.33 0.42 16 31 H 0.07 1.34 7.85 -51.93 -0.41 0.94 16 32 H 0.04 0.67 8.14 -51.93 -0.42 0.25 16 33 H 0.07 1.53 6.64 -51.93 -0.34 1.19 16 34 H 0.05 0.79 6.43 -51.93 -0.33 0.46 16 35 H 0.07 1.34 8.14 -51.93 -0.42 0.92 16 36 H 0.06 1.03 6.43 -51.93 -0.33 0.70 16 37 H 0.41 7.12 6.15 -40.82 -0.25 6.87 16 38 H 0.42 3.41 8.84 -40.82 -0.36 3.05 16 39 H 0.18 1.43 6.24 -52.49 -0.33 1.10 16 40 H 0.18 0.12 8.06 -52.49 -0.42 -0.30 16 41 H 0.18 0.98 7.39 -52.48 -0.39 0.60 16 42 H 0.19 1.68 7.39 -52.49 -0.39 1.29 16 Total: -1.00 -39.37 354.75 -4.24 -43.61