99U Converted by convert_cif2sdf.py 2024/03/29 11:09:15 41 44 0 0 0 0 0 0 0 0999 V2000 -1.1937 3.0530 -0.3594 C 0 0 0 0 0 4.0017 -0.5428 1.4014 C 0 0 0 0 0 4.6685 0.5903 0.5771 C 0 0 0 0 0 3.7735 0.6766 -0.6775 C 0 0 0 0 0 -1.3511 0.6899 -0.5022 C 0 0 0 0 0 -2.2159 -0.3688 -0.2422 C 0 0 0 0 0 -3.3799 0.1810 0.2816 N 0 0 0 0 0 -3.2711 1.5338 0.3557 C 0 0 0 0 0 -0.0646 0.5656 -1.0264 C 0 0 0 0 0 0.3802 -0.7343 -1.3244 C 0 0 0 0 0 -0.4642 -1.7830 -1.0851 C 0 0 0 0 0 -1.7421 -1.6305 -0.5471 C 0 0 0 0 0 -1.9464 1.9108 -0.1515 C 0 0 0 0 0 0.0905 2.9463 -0.8918 C 0 0 0 0 0 0.6655 1.7492 -1.2256 C 0 0 0 0 0 -4.1230 2.2977 0.7699 O 0 0 0 0 0 -4.5566 -0.5882 0.6948 C 0 0 0 0 0 1.9886 -1.0052 -1.9912 S 0 0 0 0 0 2.1061 -2.4065 -2.1978 O 0 0 0 0 0 2.1587 -0.0495 -3.0284 O 0 0 0 0 0 3.0811 -0.6134 -0.8101 N 0 0 0 0 0 3.5214 -1.5001 0.2823 C 0 0 0 0 0 -5.5094 -0.7391 -0.4928 C 0 0 0 0 0 -1.5993 4.0233 -0.1137 H 0 0 0 0 0 4.7284 -1.0333 2.0498 H 0 0 0 0 0 3.1596 -0.1621 1.9787 H 0 0 0 0 0 4.6518 1.5303 1.1288 H 0 0 0 0 0 5.6896 0.3218 0.3077 H 0 0 0 0 0 3.0445 1.4788 -0.5576 H 0 0 0 0 0 4.3875 0.8627 -1.5590 H 0 0 0 0 0 -0.1204 -2.7813 -1.3142 H 0 0 0 0 0 -2.3616 -2.4973 -0.3707 H 0 0 0 0 0 0.6585 3.8512 -1.0498 H 0 0 0 0 0 1.6668 1.7150 -1.6286 H 0 0 0 0 0 -4.2439 -1.5749 1.0368 H 0 0 0 0 0 -5.0651 -0.0667 1.5051 H 0 0 0 0 0 4.3417 -2.1358 -0.0522 H 0 0 0 0 0 2.6889 -2.1091 0.6356 H 0 0 0 0 0 -5.8222 0.2476 -0.8348 H 0 0 0 0 0 -5.0010 -1.2603 -1.3040 H 0 0 0 0 0 -6.3855 -1.3107 -0.1857 H 0 0 0 0 0 17 23 1 0 0 0 17 7 1 0 0 0 7 8 1 0 0 0 7 6 1 0 0 0 16 8 2 0 0 0 12 6 2 0 0 0 12 11 1 0 0 0 8 13 1 0 0 0 6 5 1 0 0 0 11 10 2 0 0 0 5 13 2 0 0 0 5 9 1 0 0 0 13 1 1 0 0 0 10 9 1 0 0 0 10 18 1 0 0 0 9 15 2 0 0 0 1 14 2 0 0 0 19 18 2 0 0 0 18 20 2 0 0 0 18 21 1 0 0 0 15 14 1 0 0 0 21 22 1 0 0 0 21 4 1 0 0 0 22 2 1 0 0 0 4 3 1 0 0 0 2 3 1 0 0 0 1 24 1 0 0 0 2 25 1 0 0 0 2 26 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 4 29 1 0 0 0 4 30 1 0 0 0 11 31 1 0 0 0 12 32 1 0 0 0 14 33 1 0 0 0 15 34 1 0 0 0 17 35 1 0 0 0 17 36 1 0 0 0 22 37 1 0 0 0 22 38 1 0 0 0 23 39 1 0 0 0 23 40 1 0 0 0 23 41 1 0 0 0 M END $$$$