1CS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 35 36 0 0 0 0 0 0 0 0999 V2000 1.7078 3.0401 0.0892 C 0 0 0 0 0 3.0711 2.9109 -0.3212 O 0 0 0 0 0 3.3021 1.5895 -0.5001 C 0 0 0 0 0 4.5020 1.1698 -0.8859 N 0 0 0 0 0 4.7287 -0.1193 -1.0600 C 0 0 0 0 0 6.0914 -0.5900 -1.4986 C 0 0 0 0 0 3.7637 -0.9972 -0.8506 N 0 0 0 0 0 2.5603 -0.5843 -0.4633 C 0 0 0 0 0 1.5484 -1.5041 -0.2451 N 0 0 0 0 0 0.3293 -1.0852 0.1477 C 0 0 0 0 0 0.1177 0.1006 0.3091 O 0 0 0 0 0 -0.6543 -1.9804 0.3612 N 0 0 0 0 0 -2.1123 -1.4795 0.9657 S 0 0 0 0 0 -2.9307 -2.6400 1.0112 O 0 0 0 0 0 -1.8043 -0.6464 2.0746 O 0 0 0 0 0 -2.8471 -0.4232 -0.2377 C 0 0 0 0 0 -3.0699 0.9083 0.0567 C 0 0 0 0 0 -3.6466 1.7376 -0.8864 C 0 0 0 0 0 -4.0006 1.2353 -2.1250 C 0 0 0 0 0 -3.7778 -0.0962 -2.4204 C 0 0 0 0 0 -3.1950 -0.9251 -1.4773 C 0 0 0 0 0 2.3311 0.7109 -0.2826 N 0 0 0 0 0 -2.9140 -2.5973 -1.8478 CL 0 0 0 0 0 1.4741 4.0930 0.2458 H 0 0 0 0 0 1.0561 2.6347 -0.6834 H 0 0 0 0 0 1.5549 2.4915 1.0182 H 0 0 0 0 0 6.7080 -0.7866 -0.6208 H 0 0 0 0 0 5.9896 -1.5052 -2.0825 H 0 0 0 0 0 6.5628 0.1795 -2.1088 H 0 0 0 0 0 1.7172 -2.4505 -0.3734 H 0 0 0 0 0 -0.5089 -2.9177 0.1601 H 0 0 0 0 0 -2.7937 1.3015 1.0239 H 0 0 0 0 0 -3.8204 2.7785 -0.6566 H 0 0 0 0 0 -4.4515 1.8829 -2.8613 H 0 0 0 0 0 -4.0542 -0.4884 -3.3877 H 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 22 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 2 0 0 0 6 27 1 0 0 0 6 28 1 0 0 0 6 29 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 22 2 0 0 0 9 10 1 0 0 0 9 30 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 12 31 1 0 0 0 13 14 2 0 0 0 13 15 2 0 0 0 13 16 1 0 0 0 16 17 2 0 0 0 16 21 1 0 0 0 17 18 1 0 0 0 17 32 1 0 0 0 18 19 2 0 0 0 18 33 1 0 0 0 19 20 1 0 0 0 19 34 1 0 0 0 20 21 2 0 0 0 20 35 1 0 0 0 21 23 1 0 0 0 M END $$$$