CDT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 24 23 0 0 0 0 0 0 0 0999 V2000 2.5387 2.6057 0.4346 N 0 0 0 0 0 2.2563 1.4375 -0.1764 C 0 0 0 0 0 2.6205 1.2475 -1.3208 O 0 0 0 0 0 1.5714 0.4810 0.4803 N 0 0 0 0 0 1.2646 -0.7870 -0.1841 C 0 0 0 0 0 -0.0441 -1.3498 0.3706 C 0 0 0 0 0 -1.1767 -0.3546 0.1169 C 0 0 0 0 0 -2.7298 -1.0223 0.7758 S 0 0 0 0 0 -3.8620 0.3270 0.3454 C 0 0 0 0 0 2.3804 -1.7679 0.0663 C 0 0 0 0 0 2.6328 -2.6175 -0.7539 O 0 0 0 0 0 3.0931 -1.6972 1.2003 O 0 0 0 0 0 3.0320 3.2937 -0.0378 H 0 0 0 0 0 2.2479 2.7570 1.3474 H 0 0 0 0 0 1.2805 0.6333 1.3931 H 0 0 0 0 0 1.1618 -0.6194 -1.2566 H 0 0 0 0 0 0.0586 -1.5175 1.4431 H 0 0 0 0 0 -0.2726 -2.2941 -0.1228 H 0 0 0 0 0 -1.2793 -0.1879 -0.9556 H 0 0 0 0 0 -0.9491 0.5887 0.6114 H 0 0 0 0 0 -4.8686 0.0781 0.6814 H 0 0 0 0 0 -3.5332 1.2458 0.8313 H 0 0 0 0 0 -3.8634 0.4693 -0.7347 H 0 0 0 0 0 3.8092 -2.3274 1.3621 H 0 0 0 0 0 1 2 1 0 0 0 1 13 1 0 0 0 1 14 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 15 1 0 0 0 5 6 1 0 0 0 5 10 1 0 0 0 5 16 1 0 0 0 6 7 1 0 0 0 6 17 1 0 0 0 6 18 1 0 0 0 7 8 1 0 0 0 7 19 1 0 0 0 7 20 1 0 0 0 8 9 1 0 0 0 9 21 1 0 0 0 9 22 1 0 0 0 9 23 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 24 1 0 0 0 M END $$$$