C5S Converted by convert_cif2sdf.py 2026/01/30 11:05:38 18 17 0 0 0 0 0 0 0 0999 V2000 -0.9944 0.9344 -0.3456 C 0 0 0 0 0 0.2784 0.2296 0.1256 C 0 0 0 0 0 1.4750 1.0912 -0.1867 C 0 0 0 0 0 2.3478 0.6740 -0.9116 O 0 0 0 0 0 1.5720 2.3210 0.3402 O 0 0 0 0 0 0.4091 -1.0562 -0.5647 N 0 0 0 0 0 1.1153 -2.0564 0.0007 C 0 0 0 0 0 1.6414 -1.8916 1.0809 O 0 0 0 0 0 -2.1988 0.1313 0.0760 C 0 0 0 0 0 -2.0532 -0.8991 0.6899 O 0 0 0 0 0 -3.4329 0.5610 -0.2311 O 0 0 0 0 0 -1.0457 1.9276 0.1007 H 0 0 0 0 0 -0.9792 1.0238 -1.4311 H 0 0 0 0 0 0.2235 0.0599 1.2011 H 0 0 0 0 0 2.3577 2.8371 0.1110 H 0 0 0 0 0 -0.0120 -1.1877 -1.4283 H 0 0 0 0 0 1.2114 -3.0038 -0.5082 H 0 0 0 0 0 -4.1736 0.0120 0.0601 H 0 0 0 0 0 7 6 1 0 0 0 7 8 2 0 0 0 6 2 1 0 0 0 2 3 1 0 0 0 2 1 1 0 0 0 4 3 2 0 0 0 3 5 1 0 0 0 1 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 1 12 1 0 0 0 1 13 1 0 0 0 2 14 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 17 1 0 0 0 11 18 1 0 0 0 M END $$$$