9SQ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 24 0 0 0 0 0 0 0 0999 V2000 -31.7716 4.4373 42.0034 C 0 0 0 0 0 -31.8255 4.7452 39.5015 C 0 0 0 0 0 -27.8117 2.7967 39.3236 C 0 0 0 0 0 -27.8464 2.6066 41.9189 C 0 0 0 0 0 -27.5556 4.6434 40.7081 C 0 0 0 0 0 -28.1045 7.1554 39.6130 C 0 0 0 0 0 -28.0978 6.8719 42.2758 C 0 0 0 0 0 -27.6012 7.2735 43.2510 O 0 3 0 0 0 -28.8290 5.9736 40.9293 FE 0 0 0 0 0 -26.3841 5.0591 40.6764 O 0 0 0 0 0 -27.6972 7.7416 38.7356 N 0 0 0 0 0 -29.9267 4.4950 42.3262 SE 0 0 0 0 0 -29.9485 4.8622 39.1773 SE 0 0 0 0 0 -28.8063 3.4212 40.6046 FE 0 0 0 0 0 -27.2975 2.3892 38.2995 O 0 3 0 0 0 -27.1623 2.0960 42.7751 N 0 0 0 0 0 -32.1154 5.3196 40.8617 N 0 0 0 0 0 -32.0683 3.4042 41.7675 H 0 0 0 0 0 -32.3090 4.7777 42.9008 H 0 0 0 0 0 -32.3704 5.3157 38.7343 H 0 0 0 0 0 -32.1419 3.6920 39.4687 H 0 0 0 0 0 -33.0932 5.5220 40.9098 H 0 0 0 0 0 1 12 1 0 0 0 1 17 1 0 0 0 2 13 1 0 0 0 2 17 1 0 0 0 3 14 1 0 0 0 3 15 3 0 0 0 4 14 1 0 0 0 4 16 3 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 5 14 1 0 0 0 6 9 1 0 0 0 6 11 3 0 0 0 7 8 3 0 0 0 7 9 1 0 0 0 9 12 1 0 0 0 9 13 1 0 0 0 12 14 1 0 0 0 13 14 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 2 20 1 0 0 0 2 21 1 0 0 0 17 22 1 0 0 0 M END $$$$