44 C 1.17830 1.78060 0.00040 C -0.01260 1.07580 0.00800 C -1.21830 1.74580 0.01730 C -1.23690 3.14190 0.02980 C -0.02910 3.84330 0.02210 C 1.16790 3.16530 0.00740 C -0.38660 5.30850 0.03280 N -1.85240 5.37350 0.04680 C -2.34050 4.12100 0.04510 O -3.52210 3.83590 0.05470 C -2.65200 6.60090 0.06010 C -2.91690 7.02150 1.50710 S -3.90490 8.53800 1.52340 C -4.05560 8.78620 3.26130 S -3.32950 7.68230 4.34990 N -4.74260 9.84520 3.73370 C -5.33900 10.76210 2.78820 C -4.33130 11.87350 2.42690 C -4.14650 12.78490 3.56650 C -3.55520 12.12590 4.80890 C -4.66290 11.49350 5.61480 C -4.85000 10.02420 5.19490 H 2.11850 1.24920 -0.01070 H 0.00210 -0.00410 0.00200 H -2.14540 1.19200 0.01900 H 2.09890 3.71270 0.00110 H 0.01810 5.78630 0.92500 H 0.00140 5.79530 -0.86200 H -2.10950 7.39360 -0.45520 H -3.60080 6.42190 -0.44570 H -3.45940 6.22880 2.02230 H -1.96810 7.20050 2.01290 H -5.61570 10.22130 1.88320 H -6.22940 11.21010 3.22930 H -4.70450 12.43650 1.57140 H -3.37400 11.42100 2.16790 H -5.11460 13.21180 3.82870 H -3.48550 13.59400 3.25610 H -3.04930 12.87840 5.41390 H -2.84030 11.35950 4.50920 H -5.59090 12.03920 5.44410 H -4.40960 11.53720 6.67410 H -5.83300 9.68520 5.52170 H -4.08670 9.41810 5.68280