JCL Converted by convert_cif2sdf.py 2026/01/30 11:05:38 30 30 0 0 0 0 0 0 0 0999 V2000 4.3253 -1.5881 -0.4184 N 0 0 0 0 0 4.4851 0.6995 -0.8917 N 0 0 0 0 0 3.2942 0.9385 -0.2589 C 0 0 0 0 0 2.6611 2.5528 -0.1715 CL 0 0 0 0 0 2.6138 -0.0907 0.2973 C 0 0 0 0 0 1.3020 0.1517 0.9987 C 0 0 0 0 0 4.9824 -0.5489 -0.9641 C 0 0 0 0 0 3.1529 -1.3948 0.2178 C 0 0 0 0 0 6.0421 -0.7398 -1.5296 O 0 0 0 0 0 2.5581 -2.3356 0.7116 O 0 0 0 0 0 0.1495 -0.0957 0.0228 C 0 0 0 0 0 -1.1824 0.1508 0.7349 C 0 0 0 0 0 -2.3350 -0.0966 -0.2409 C 0 0 0 0 0 -3.5792 0.1327 0.4246 O 0 0 0 0 0 -4.7422 -0.1444 -0.6547 P 0 0 0 0 0 -6.1709 0.2231 -0.0108 O 0 0 0 0 0 -4.7254 -1.6987 -1.0736 O 0 0 0 0 0 -4.5116 0.6916 -1.8541 O 0 0 0 0 0 4.6991 -2.4816 -0.4792 H 0 0 0 0 0 4.9734 1.4353 -1.2914 H 0 0 0 0 0 1.2634 1.1828 1.3518 H 0 0 0 0 0 1.2122 -0.5267 1.8465 H 0 0 0 0 0 0.1871 -1.1258 -0.3304 H 0 0 0 0 0 0.2383 0.5827 -0.8250 H 0 0 0 0 0 -1.2210 1.1809 1.0881 H 0 0 0 0 0 -1.2722 -0.5276 1.5827 H 0 0 0 0 0 -2.2974 -1.1277 -0.5941 H 0 0 0 0 0 -2.2462 0.5818 -1.0888 H 0 0 0 0 0 -6.8375 0.0434 -0.6879 H 0 0 0 0 0 -4.8789 -2.2079 -0.2659 H 0 0 0 0 0 1 7 1 0 0 0 1 8 1 0 0 0 1 19 1 0 0 0 2 3 1 0 0 0 2 7 1 0 0 0 2 20 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 6 11 1 0 0 0 6 21 1 0 0 0 6 22 1 0 0 0 7 9 2 0 0 0 8 10 2 0 0 0 11 12 1 0 0 0 11 23 1 0 0 0 11 24 1 0 0 0 12 13 1 0 0 0 12 25 1 0 0 0 12 26 1 0 0 0 13 14 1 0 0 0 13 27 1 0 0 0 13 28 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 2 0 0 0 16 29 1 0 0 0 17 30 1 0 0 0 M END $$$$