09E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 49 53 0 0 0 0 0 0 0 0999 V2000 -3.1765 0.4198 0.2313 C 0 0 0 0 0 -2.0682 0.2183 -0.7625 C 0 0 0 0 0 -3.3347 0.0831 1.5578 C 0 0 0 0 0 -0.7678 0.8842 -0.2970 C 0 0 0 0 0 -4.5015 0.4147 2.2219 C 0 0 0 0 0 -5.3562 1.4234 0.2229 C 0 0 0 0 0 0.2597 -0.2692 -0.2258 C 0 0 0 0 0 -5.5086 1.0851 1.5516 C 0 0 0 0 0 1.6151 0.2057 -0.6816 C 0 0 0 0 0 -0.2686 -1.3003 -1.1569 N 0 0 0 0 0 1.9946 -0.0367 -1.8024 O 0 0 0 0 0 -1.7409 -1.2698 -0.9457 C 0 0 0 0 0 -2.5721 0.8316 -2.0402 C 0 0 0 0 0 -1.9839 0.8824 -3.0999 O 0 0 0 0 0 -3.8022 1.3123 -1.7796 N 0 0 0 0 0 -4.1860 1.0880 -0.4552 C 0 0 0 0 0 3.6942 1.3226 -0.3479 C 0 0 0 0 0 4.0359 2.6689 0.2665 C 0 0 0 0 0 2.4014 0.8974 0.1585 O 0 0 0 0 0 5.3734 3.1586 -0.3090 C 0 0 0 0 0 6.6756 2.1088 0.4041 S 0 0 0 0 0 6.0179 0.4762 0.2633 C 0 0 0 0 0 4.6996 0.2491 -0.0571 C 0 0 0 0 0 4.2424 -1.0668 -0.1276 C 0 0 0 0 0 5.0919 -2.1259 0.1067 C 0 0 0 0 0 6.4196 -1.8903 0.4159 C 0 0 0 0 0 6.8749 -0.5906 0.4957 C 0 0 0 0 0 4.4442 -3.9004 0.0043 BR 0 0 0 0 0 7.8256 2.1000 -0.4297 O 0 0 0 0 0 6.7844 2.3287 1.8044 O 0 0 0 0 0 -2.5469 -0.4404 2.0780 H 0 0 0 0 0 -0.4456 1.6355 -1.0181 H 0 0 0 0 0 -0.9028 1.3357 0.6860 H 0 0 0 0 0 -4.6262 0.1509 3.2617 H 0 0 0 0 0 -6.1486 1.9413 -0.2958 H 0 0 0 0 0 0.3180 -0.6646 0.7884 H 0 0 0 0 0 -6.4200 1.3437 2.0702 H 0 0 0 0 0 -0.0352 -1.0775 -2.1123 H 0 0 0 0 0 -2.0093 -1.8319 -0.0510 H 0 0 0 0 0 -2.2587 -1.6687 -1.8178 H 0 0 0 0 0 -4.3581 1.7637 -2.4345 H 0 0 0 0 0 3.6173 1.4436 -1.4291 H 0 0 0 0 0 3.2521 3.3875 0.0296 H 0 0 0 0 0 4.1214 2.5642 1.3485 H 0 0 0 0 0 5.3695 3.0600 -1.3939 H 0 0 0 0 0 5.5394 4.1990 -0.0299 H 0 0 0 0 0 3.2071 -1.2583 -0.3686 H 0 0 0 0 0 7.0927 -2.7152 0.5950 H 0 0 0 0 0 7.9097 -0.4011 0.7407 H 0 0 0 0 0 10 7 1 0 0 0 10 12 1 0 0 0 3 5 2 0 0 0 3 1 1 0 0 0 5 8 1 0 0 0 7 4 1 0 0 0 7 9 1 0 0 0 12 2 1 0 0 0 8 6 2 0 0 0 11 9 2 0 0 0 4 2 1 0 0 0 1 2 1 0 0 0 1 16 2 0 0 0 9 19 1 0 0 0 28 25 1 0 0 0 2 13 1 0 0 0 19 17 1 0 0 0 6 16 1 0 0 0 16 15 1 0 0 0 24 25 2 0 0 0 24 23 1 0 0 0 25 26 1 0 0 0 17 23 1 0 0 0 17 18 1 0 0 0 13 15 1 0 0 0 13 14 2 0 0 0 23 22 2 0 0 0 18 20 1 0 0 0 26 27 2 0 0 0 22 27 1 0 0 0 22 21 1 0 0 0 20 21 1 0 0 0 21 29 2 0 0 0 21 30 2 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 4 33 1 0 0 0 5 34 1 0 0 0 6 35 1 0 0 0 7 36 1 0 0 0 8 37 1 0 0 0 10 38 1 0 0 0 12 39 1 0 0 0 12 40 1 0 0 0 15 41 1 0 0 0 17 42 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 20 45 1 0 0 0 20 46 1 0 0 0 24 47 1 0 0 0 26 48 1 0 0 0 27 49 1 0 0 0 M END $$$$