JNA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 28 0 0 0 0 0 0 0 0999 V2000 3.9218 -1.3818 -1.1075 C 0 0 0 0 0 3.6076 -1.1958 1.2590 C 0 0 0 0 0 1.2727 1.9026 -1.7724 O 0 0 0 0 0 1.0233 1.3326 -0.4957 S 0 0 0 0 0 0.9478 2.1005 0.6973 O 0 0 0 0 0 -0.4141 0.5189 -0.6185 N 0 0 0 0 0 -0.9412 -0.2150 0.5344 C 0 0 0 0 0 -2.3917 -0.5473 0.2973 C 0 0 0 0 0 -2.8410 -1.6607 -0.2847 C 0 0 0 0 0 -4.2181 -1.7502 -0.3891 C 0 0 0 0 0 -4.8884 -0.7087 0.1077 C 0 0 0 0 0 -3.7527 0.4701 0.7527 S 0 0 0 0 0 2.2836 0.1289 -0.2325 C 0 0 0 0 0 2.9330 -0.4377 -1.3131 C 0 0 0 0 0 4.2571 -1.7624 0.1785 C 0 0 0 0 0 2.6228 -0.2477 1.0526 C 0 0 0 0 0 4.4299 -1.8253 -1.9516 H 0 0 0 0 0 3.8686 -1.4933 2.2637 H 0 0 0 0 0 -0.9061 0.5278 -1.4548 H 0 0 0 0 0 -0.3751 -1.1370 0.6693 H 0 0 0 0 0 -0.8516 0.4001 1.4291 H 0 0 0 0 0 -2.1796 -2.4338 -0.6466 H 0 0 0 0 0 -4.7135 -2.5975 -0.8388 H 0 0 0 0 0 -5.9630 -0.6053 0.1132 H 0 0 0 0 0 2.6681 -0.1433 -2.3181 H 0 0 0 0 0 5.0262 -2.5035 0.3390 H 0 0 0 0 0 2.1147 0.1959 1.8967 H 0 0 0 0 0 10 9 1 0 0 0 10 11 2 0 0 0 9 8 2 0 0 0 11 12 1 0 0 0 8 12 1 0 0 0 8 7 1 0 0 0 7 6 1 0 0 0 5 4 2 0 0 0 6 4 1 0 0 0 4 3 2 0 0 0 4 13 1 0 0 0 16 13 2 0 0 0 16 2 1 0 0 0 13 14 1 0 0 0 2 15 2 0 0 0 14 1 2 0 0 0 15 1 1 0 0 0 1 17 1 0 0 0 2 18 1 0 0 0 6 19 1 0 0 0 7 20 1 0 0 0 7 21 1 0 0 0 9 22 1 0 0 0 10 23 1 0 0 0 11 24 1 0 0 0 14 25 1 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 M END $$$$