J55 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 49 0 0 0 0 0 0 0 0999 V2000 1.6715 0.7582 -1.9684 O 0 0 0 0 0 1.7879 1.2108 -0.8493 C 0 0 0 0 0 2.1198 0.4002 0.1754 N 0 0 0 0 0 2.2258 -0.9748 -0.0308 C 0 0 0 0 0 2.1059 -1.4655 -1.2544 N 0 0 0 0 0 2.4631 -1.8165 1.0502 C 0 0 0 0 0 2.5656 -3.1791 0.8320 C 0 0 0 0 0 2.4288 -3.6550 -0.4645 C 0 0 0 0 0 2.2002 -2.7603 -1.4925 C 0 0 0 0 0 2.0111 -3.4005 -3.2617 BR 0 0 0 0 0 1.5666 2.6816 -0.6043 C 0 0 0 0 0 0.3951 2.8964 0.2676 N 0 0 0 0 0 0.5237 3.9922 1.2160 C 0 0 0 0 0 1.8918 4.7058 1.1389 C 0 0 0 0 0 2.9433 3.3929 0.3891 S 0 0 0 0 0 -0.7135 2.1341 0.1891 C 0 0 0 0 0 -0.7737 1.2322 -0.6185 O 0 0 0 0 0 -1.8791 2.4029 1.1073 C 0 0 0 0 0 -2.9520 1.4450 0.8272 N 0 0 0 0 0 -3.0801 0.2284 1.4418 C 0 0 0 0 0 -2.3892 -0.4220 2.3678 N 0 0 0 0 0 -2.7540 -1.6152 2.7834 C 0 0 0 0 0 -3.8778 -2.2516 2.2756 C 0 0 0 0 0 -4.6329 -1.6276 1.3149 C 0 0 0 0 0 -4.2319 -0.3637 0.8864 C 0 0 0 0 0 -4.7238 0.6240 -0.0811 C 0 0 0 0 0 -3.8940 1.6421 -0.0226 N 0 0 0 0 0 -5.9131 0.5012 -0.9443 C 0 0 0 0 0 -6.5998 -0.5019 -0.8942 O 0 0 0 0 0 -6.2406 1.5003 -1.7874 N 0 0 0 0 0 2.2841 0.7725 1.0555 H 0 0 0 0 0 2.5654 -1.4119 2.0464 H 0 0 0 0 0 2.7502 -3.8567 1.6534 H 0 0 0 0 0 2.5045 -4.7135 -0.6680 H 0 0 0 0 0 1.4534 3.2159 -1.5477 H 0 0 0 0 0 -0.2642 4.7205 1.0191 H 0 0 0 0 0 0.3891 3.5997 2.2244 H 0 0 0 0 0 1.8399 5.5827 0.4933 H 0 0 0 0 0 2.2494 4.9755 2.1322 H 0 0 0 0 0 -1.5582 2.2957 2.1427 H 0 0 0 0 0 -2.2446 3.4159 0.9425 H 0 0 0 0 0 -2.1644 -2.1124 3.5403 H 0 0 0 0 0 -4.1562 -3.2318 2.6335 H 0 0 0 0 0 -5.5115 -2.1014 0.9027 H 0 0 0 0 0 -5.6934 2.3005 -1.8269 H 0 0 0 0 0 -7.0224 1.4194 -2.3549 H 0 0 0 0 0 29 28 2 0 0 0 23 24 2 0 0 0 23 22 1 0 0 0 24 25 1 0 0 0 10 9 1 0 0 0 28 26 1 0 0 0 28 30 1 0 0 0 8 9 2 0 0 0 8 7 1 0 0 0 22 21 2 0 0 0 25 26 1 0 0 0 25 20 2 0 0 0 9 5 1 0 0 0 26 27 2 0 0 0 7 6 2 0 0 0 21 20 1 0 0 0 20 19 1 0 0 0 5 4 2 0 0 0 6 4 1 0 0 0 27 19 1 0 0 0 4 3 1 0 0 0 19 18 1 0 0 0 17 16 2 0 0 0 3 2 1 0 0 0 1 2 2 0 0 0 16 18 1 0 0 0 16 12 1 0 0 0 2 11 1 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 11 15 1 0 0 0 13 14 1 0 0 0 15 14 1 0 0 0 3 31 1 0 0 0 6 32 1 0 0 0 7 33 1 0 0 0 8 34 1 0 0 0 11 35 1 0 0 0 13 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 14 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 22 42 1 0 0 0 23 43 1 0 0 0 24 44 1 0 0 0 30 45 1 0 0 0 30 46 1 0 0 0 M END $$$$