CKT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 37 37 0 0 0 0 0 0 0 0999 V2000 1.2652 -3.7681 0.6571 C 0 0 0 0 0 0.4348 -2.5493 0.3489 C 0 0 0 0 0 -1.6284 -1.5251 0.3302 C 0 0 0 0 0 -1.0948 -0.3630 -0.1980 C 0 0 0 0 0 -1.9807 0.8223 -0.4826 C 0 0 0 0 0 0.2631 -0.3042 -0.4663 C 0 0 0 0 0 0.8828 0.9438 -1.0409 C 0 0 0 0 0 2.5544 2.1116 0.1842 C 0 0 0 0 0 3.0103 2.8924 1.3597 C 0 0 0 0 0 3.5518 1.6607 -0.8517 C 0 0 0 0 0 1.0425 -1.4230 -0.1855 C 0 0 0 0 0 -0.8617 -2.5674 0.5843 N 0 0 0 0 0 1.3153 1.8209 0.0503 N 0 0 0 0 0 -3.3270 0.5078 -0.1208 O 0 0 0 0 0 -4.3163 2.8078 0.6846 O 0 0 0 0 0 -4.6037 2.0129 -1.6944 O 0 0 0 0 0 -5.9290 0.8179 0.0911 O 0 0 0 0 0 4.1653 3.2563 1.4361 O 0 0 0 0 0 2.1408 3.1992 2.3412 O 0 0 0 0 0 2.3783 -1.4107 -0.4313 O 0 0 0 0 0 -4.5455 1.5473 -0.2912 P 0 0 0 0 0 5.1735 2.3851 -0.4865 S 0 0 0 0 0 1.6371 -3.7050 1.6794 H 0 0 0 0 0 0.6521 -4.6630 0.5476 H 0 0 0 0 0 2.1071 -3.8188 -0.0337 H 0 0 0 0 0 -2.6867 -1.5785 0.5365 H 0 0 0 0 0 -1.6391 1.6790 0.0966 H 0 0 0 0 0 -1.9368 1.0612 -1.5457 H 0 0 0 0 0 1.7428 0.6737 -1.6520 H 0 0 0 0 0 0.1480 1.4642 -1.6556 H 0 0 0 0 0 3.6265 0.5738 -0.8348 H 0 0 0 0 0 3.2224 1.9861 -1.8385 H 0 0 0 0 0 -4.2675 2.5756 1.6223 H 0 0 0 0 0 -6.7075 1.3862 0.0110 H 0 0 0 0 0 2.4842 3.7102 3.0879 H 0 0 0 0 0 2.9125 -1.1006 0.3123 H 0 0 0 0 0 5.9488 1.9047 -1.4748 H 0 0 0 0 0 22 10 1 0 0 0 16 21 2 0 0 0 10 8 1 0 0 0 18 9 2 0 0 0 17 21 1 0 0 0 8 9 1 0 0 0 8 13 2 0 0 0 21 15 1 0 0 0 21 14 1 0 0 0 9 19 1 0 0 0 5 14 1 0 0 0 5 4 1 0 0 0 7 13 1 0 0 0 7 6 1 0 0 0 4 6 2 0 0 0 4 3 1 0 0 0 6 11 1 0 0 0 3 12 2 0 0 0 11 20 1 0 0 0 11 2 2 0 0 0 12 2 1 0 0 0 2 1 1 0 0 0 1 23 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 3 26 1 0 0 0 5 27 1 0 0 0 5 28 1 0 0 0 7 29 1 0 0 0 7 30 1 0 0 0 10 31 1 0 0 0 10 32 1 0 0 0 15 33 1 0 0 0 17 34 1 0 0 0 19 35 1 0 0 0 20 36 1 0 0 0 22 37 1 0 0 0 M END $$$$