CXB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 28 0 0 0 0 0 0 0 0999 V2000 4.7665 1.1792 -0.2821 C 0 0 0 0 0 3.3615 1.3464 -0.0804 O 0 0 0 0 0 2.7959 0.0481 -0.0454 N 0 0 0 0 0 1.5137 -0.0994 0.1282 C 0 0 0 0 0 0.6657 1.0792 0.4273 C 0 0 0 0 0 1.1428 2.1959 0.3882 O 0 0 0 0 0 -0.6337 0.9125 0.7422 N 0 0 0 0 0 -1.5006 2.0803 0.9192 C 0 0 0 0 0 -2.2523 2.3820 -0.4258 B 0 0 0 0 0 -2.0281 1.5631 -1.5640 O 0 0 0 0 0 -3.1556 3.4753 -0.5048 O 0 0 0 0 0 0.9031 -1.4425 0.0280 C 0 0 0 0 0 1.6922 -2.5582 -0.0519 C 0 0 0 0 0 0.4495 -3.8398 -0.1488 S 0 0 0 0 0 -0.9821 -2.7735 -0.0739 C 0 0 0 0 0 -2.3254 -3.1086 -0.1002 N 0 0 0 0 0 -0.4215 -1.5817 0.0202 N 0 0 0 0 0 5.1853 0.5965 0.5393 H 0 0 0 0 0 4.9388 0.6567 -1.2224 H 0 0 0 0 0 5.2475 2.1568 -0.3156 H 0 0 0 0 0 -0.9954 0.0193 0.8515 H 0 0 0 0 0 -2.2288 1.8769 1.7043 H 0 0 0 0 0 -0.8952 2.9427 1.1986 H 0 0 0 0 0 -1.3887 0.8874 -1.3010 H 0 0 0 0 0 -3.5052 3.4844 -1.4054 H 0 0 0 0 0 2.7698 -2.6411 -0.0569 H 0 0 0 0 0 -2.5912 -4.0385 -0.1692 H 0 0 0 0 0 -3.0003 -2.4133 -0.0505 H 0 0 0 0 0 1 2 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 1 20 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 4 12 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 21 1 0 0 0 8 9 1 0 0 0 8 22 1 0 0 0 8 23 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 10 24 1 0 0 0 11 25 1 0 0 0 12 13 2 0 0 0 12 17 1 0 0 0 13 14 1 0 0 0 13 26 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 16 27 1 0 0 0 16 28 1 0 0 0 M END $$$$