22 C -0.01270 1.08580 0.00800 O -0.68160 1.54670 1.18370 C -0.78750 2.89280 1.34630 C -0.26020 3.74660 0.39700 C -0.37060 5.12970 0.56690 C -1.01410 5.64270 1.69660 C -1.53790 4.78510 2.64000 C -1.43300 3.41050 2.46790 O -1.95600 2.56950 3.39710 C -1.10020 2.17800 4.47250 Br -2.40820 5.48100 4.16790 C 0.19100 6.04550 -0.44350 O 0.75040 5.59800 -1.42490 H 0.00210 -0.00410 0.00200 H 1.00990 1.46310 0.00030 H -0.53990 1.44690 -0.87510 H 0.23600 3.34640 -0.47480 H -1.10040 6.71090 1.83050 H -0.78210 3.06260 5.02420 H -1.64040 1.50760 5.14100 H -0.22550 1.66510 4.07260 O 0.08370 7.37850 -0.27820