96A Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0632 -3.3884 -1.3929 N 0 0 0 0 0 -0.7553 -2.2884 -1.0354 C 0 0 0 0 0 -2.5663 -1.2724 0.1149 C 0 0 0 0 0 -2.7215 1.0325 0.1864 C 0 0 0 0 0 3.3410 -3.0239 -0.3463 C 0 0 0 0 0 3.9852 -0.8752 0.1194 C 0 0 0 0 0 -2.2182 2.2757 -0.1972 N 0 0 0 0 0 4.1599 -2.1728 0.3744 C 0 0 0 0 0 -3.6889 -1.4088 0.9218 C 0 0 0 0 0 7.9201 1.9927 -0.1328 C 0 0 0 0 0 -1.2006 2.3467 -1.0781 C 0 0 0 0 0 -3.8421 0.9684 1.0045 C 0 0 0 0 0 -4.3386 -0.2706 1.3754 C 0 0 0 0 0 2.5047 -2.4189 -1.1898 C 0 0 0 0 0 4.7508 0.2490 0.7699 C 0 0 0 0 0 5.1730 -2.6730 1.3721 C 0 0 0 0 0 6.0019 0.5577 -0.0545 C 0 0 0 0 0 -1.9068 -2.4097 -0.3456 N 0 0 0 0 0 -0.7815 3.5464 -1.5270 N 0 0 0 0 0 -2.1203 -0.0732 -0.2255 N 0 0 0 0 0 1.8468 -4.5565 -2.4300 O 0 0 0 0 0 1.0827 -2.3472 -3.3137 O 0 0 0 0 0 -0.3408 -1.1853 -1.3358 O 0 0 0 0 0 -0.6607 1.3300 -1.4687 O 0 0 0 0 0 6.7276 1.6231 0.5612 O 0 0 0 0 0 1.3507 -3.2385 -2.2407 S 0 0 0 0 0 2.7284 -0.6765 -1.0941 S 0 0 0 0 0 -5.8714 -0.4077 2.4753 BR 0 0 0 0 0 -0.3919 -4.2676 -1.1487 H 0 0 0 0 0 3.3797 -4.0985 -0.2368 H 0 0 0 0 0 -2.5991 3.0872 0.1711 H 0 0 0 0 0 -4.0504 -2.3892 1.1926 H 0 0 0 0 0 8.5903 1.1346 -0.1844 H 0 0 0 0 0 7.6673 2.3170 -1.1421 H 0 0 0 0 0 8.4126 2.8070 0.3980 H 0 0 0 0 0 -4.3277 1.8744 1.3377 H 0 0 0 0 0 4.1200 1.1363 0.8196 H 0 0 0 0 0 5.0430 -0.0462 1.7773 H 0 0 0 0 0 4.7089 -2.7439 2.3563 H 0 0 0 0 0 5.5273 -3.6573 1.0673 H 0 0 0 0 0 6.0141 -1.9810 1.4148 H 0 0 0 0 0 6.6327 -0.3296 -0.1042 H 0 0 0 0 0 5.7097 0.8529 -1.0619 H 0 0 0 0 0 -2.2756 -3.2895 -0.1701 H 0 0 0 0 0 -1.2114 4.3580 -1.2159 H 0 0 0 0 0 -0.0490 3.5990 -2.1617 H 0 0 0 0 0 24 11 2 0 0 0 11 19 1 0 0 0 11 7 1 0 0 0 7 4 1 0 0 0 4 20 2 0 0 0 4 12 1 0 0 0 20 3 1 0 0 0 12 13 2 0 0 0 18 3 1 0 0 0 18 2 1 0 0 0 3 9 2 0 0 0 17 15 1 0 0 0 17 25 1 0 0 0 27 6 1 0 0 0 27 14 1 0 0 0 15 6 1 0 0 0 1 2 1 0 0 0 1 26 1 0 0 0 21 26 2 0 0 0 2 23 2 0 0 0 6 8 2 0 0 0 25 10 1 0 0 0 13 9 1 0 0 0 13 28 1 0 0 0 26 14 1 0 0 0 26 22 2 0 0 0 14 5 2 0 0 0 8 5 1 0 0 0 8 16 1 0 0 0 1 29 1 0 0 0 5 30 1 0 0 0 7 31 1 0 0 0 9 32 1 0 0 0 10 33 1 0 0 0 10 34 1 0 0 0 10 35 1 0 0 0 12 36 1 0 0 0 15 37 1 0 0 0 15 38 1 0 0 0 16 39 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 17 42 1 0 0 0 17 43 1 0 0 0 18 44 1 0 0 0 19 45 1 0 0 0 19 46 1 0 0 0 M END $$$$