CS1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 27 0 0 0 0 0 0 0 0999 V2000 3.4976 0.5529 -1.6661 O 0 0 0 0 0 3.6676 0.1111 -0.5545 C 0 0 0 0 0 2.7508 0.5236 0.5680 C 0 0 0 0 0 2.0703 1.7751 0.2110 N 0 0 0 0 0 1.7101 -0.5723 0.8055 C 0 0 0 0 0 0.7039 -0.1488 2.2541 S 0 0 0 0 0 -0.5756 1.2769 1.5257 S 0 0 0 0 0 -1.8808 0.3200 0.8294 C 0 0 0 0 0 -1.8324 -1.0651 0.8826 C 0 0 0 0 0 -2.8580 -1.8140 0.3362 C 0 0 0 0 0 -3.9331 -1.1867 -0.2656 C 0 0 0 0 0 -3.9898 0.1940 -0.3228 C 0 0 0 0 0 -2.9689 0.9534 0.2285 C 0 0 0 0 0 -3.0272 2.3506 0.1758 N 0 0 0 0 0 4.6702 -0.7505 -0.3206 O 0 0 0 0 0 5.2294 -0.9881 -1.0734 H 0 0 0 0 0 3.3341 0.6733 1.4765 H 0 0 0 0 0 1.4214 1.6305 -0.5472 H 0 0 0 0 0 1.6072 2.1762 1.0126 H 0 0 0 0 0 1.0671 -0.6582 -0.0712 H 0 0 0 0 0 2.2161 -1.5229 0.9788 H 0 0 0 0 0 -0.9929 -1.5586 1.3502 H 0 0 0 0 0 -2.8177 -2.8929 0.3772 H 0 0 0 0 0 -4.7312 -1.7763 -0.6909 H 0 0 0 0 0 -4.8305 0.6809 -0.7934 H 0 0 0 0 0 -2.3094 2.8808 0.5584 H 0 0 0 0 0 -3.7842 2.7892 -0.2419 H 0 0 0 0 0 1 2 2 0 0 0 2 15 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 17 1 0 0 0 4 18 1 0 0 0 4 19 1 0 0 0 5 6 1 0 0 0 5 20 1 0 0 0 5 21 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 13 2 0 0 0 9 10 2 0 0 0 9 22 1 0 0 0 10 11 1 0 0 0 10 23 1 0 0 0 11 12 2 0 0 0 11 24 1 0 0 0 12 13 1 0 0 0 12 25 1 0 0 0 13 14 1 0 0 0 14 26 1 0 0 0 14 27 1 0 0 0 15 16 1 0 0 0 M END $$$$