22 C -0.01630 1.35650 0.01750 C 1.15340 2.10510 0.01030 C 2.39240 1.47890 -0.01320 C 2.43810 0.01840 -0.02980 C 3.65410 -0.67540 -0.05320 C 3.65220 -2.03840 -0.06770 C 2.45660 -2.75260 -0.06000 C 1.25550 -2.10980 -0.03730 C 1.22000 -0.70390 -0.02130 C 0.00210 -0.00410 0.00220 Br -0.35420 -3.10210 -0.02730 C 3.63470 2.27020 -0.02180 N 4.78180 1.67530 0.06140 O 5.97610 2.43600 0.05320 H -0.96700 1.86850 0.04020 H 1.09880 3.18360 0.02290 H 4.58830 -0.13360 -0.06020 H 4.59100 -2.57200 -0.08580 H 2.48190 -3.83220 -0.07260 H -0.92900 -0.55140 0.00840 H 3.58880 3.34660 -0.09760 H 6.78130 1.90460 0.11940