JQ7 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 29 30 0 0 0 0 0 0 0 0999 V2000 -2.6503 -0.6447 0.4102 C 0 0 0 0 0 -2.3509 2.0660 0.0326 C 0 0 0 0 0 4.1041 0.4530 1.4156 N 0 0 0 0 0 2.8738 0.3890 0.8696 C 0 0 0 0 0 1.9270 0.0468 1.5446 O 0 0 0 0 0 2.6748 0.7438 -0.5823 C 0 0 0 0 0 1.2598 0.5966 -0.9314 N 0 0 0 0 0 0.6784 -0.6993 -1.3345 C 0 0 0 0 0 -0.3312 -1.1397 -0.2868 C 0 0 0 0 0 -0.9121 -2.3758 -0.7061 O 0 0 0 0 0 -1.4330 -0.1493 -0.0485 C 0 0 0 0 0 -3.7023 0.2055 0.6747 C 0 0 0 0 0 -3.5561 1.5677 0.4917 C 0 0 0 0 0 -1.3044 1.2079 -0.2531 C 0 0 0 0 0 0.1969 1.8795 -0.9001 S 0 0 0 0 0 -0.0613 2.2312 -2.2527 O 0 0 0 0 0 0.6872 2.7961 0.0684 O 0 0 0 0 0 -2.7724 -1.7081 0.5584 H 0 0 0 0 0 -2.2290 3.1293 -0.1115 H 0 0 0 0 0 4.2320 0.2244 2.3503 H 0 0 0 0 0 4.8617 0.7269 0.8753 H 0 0 0 0 0 2.9853 1.7751 -0.7497 H 0 0 0 0 0 3.2744 0.0782 -1.2034 H 0 0 0 0 0 0.1803 -0.5914 -2.2972 H 0 0 0 0 0 1.4698 -1.4445 -1.4139 H 0 0 0 0 0 0.1946 -1.3056 0.6537 H 0 0 0 0 0 -1.5711 -2.7296 -0.0922 H 0 0 0 0 0 -4.6435 -0.1936 1.0240 H 0 0 0 0 0 -4.3726 2.2377 0.7134 H 0 0 0 0 0 8 9 1 0 0 0 8 7 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 6 7 1 0 0 0 6 4 1 0 0 0 7 15 1 0 0 0 11 1 2 0 0 0 11 14 1 0 0 0 1 12 1 0 0 0 17 15 2 0 0 0 4 3 1 0 0 0 4 5 2 0 0 0 15 14 1 0 0 0 15 16 2 0 0 0 14 2 2 0 0 0 12 13 2 0 0 0 2 13 1 0 0 0 1 18 1 0 0 0 2 19 1 0 0 0 3 20 1 0 0 0 3 21 1 0 0 0 6 22 1 0 0 0 6 23 1 0 0 0 8 24 1 0 0 0 8 25 1 0 0 0 9 26 1 0 0 0 10 27 1 0 0 0 12 28 1 0 0 0 13 29 1 0 0 0 M END $$$$