TC Converted by convert_cif2sdf.py 2024/03/29 11:09:15 30 31 0 0 0 0 0 0 0 0999 V2000 0.4123 -1.7455 0.3691 C 0 0 0 0 0 -0.7048 0.4047 0.5920 C 0 0 0 0 0 1.4377 -1.2913 -0.6868 C 0 0 0 0 0 2.6975 -0.9303 0.1384 C 0 0 0 0 0 -2.9579 0.7013 0.1735 C 0 0 0 0 0 2.4564 -1.7106 1.4557 C 0 0 0 0 0 -3.0764 -0.6681 -0.1442 C 0 0 0 0 0 -1.9767 -1.4545 -0.0775 C 0 0 0 0 0 -0.7856 -0.9053 0.2937 N 0 0 0 0 0 -1.7779 1.1907 0.5310 N 0 0 0 0 0 -4.0593 1.5227 0.1144 N 0 0 0 0 0 5.1641 1.1598 0.7456 O 0 0 0 0 0 0.3683 0.8782 0.9270 O 0 0 0 0 0 1.7211 -2.3540 -1.5986 O 0 0 0 0 0 4.3190 1.0583 -1.5161 O 0 0 0 0 0 2.7611 0.4756 0.3832 O 0 0 0 0 0 1.0309 -1.5992 1.6576 O 0 0 0 0 0 3.9840 1.3973 -0.1154 P 0 0 0 0 0 0.1436 -2.7886 0.2011 H 0 0 0 0 0 1.0710 -0.4163 -1.2242 H 0 0 0 0 0 3.6016 -1.2782 -0.3608 H 0 0 0 0 0 2.7475 -2.7554 1.3417 H 0 0 0 0 0 3.0009 -1.2503 2.2796 H 0 0 0 0 0 -4.0299 -1.0821 -0.4364 H 0 0 0 0 0 -2.0418 -2.5060 -0.3168 H 0 0 0 0 0 -4.9201 1.1618 -0.1469 H 0 0 0 0 0 -3.9740 2.4644 0.3339 H 0 0 0 0 0 2.3616 -2.1229 -2.2849 H 0 0 0 0 0 3.5580 2.9477 -0.0253 O 0 0 0 0 0 4.2479 3.5622 -0.3104 H 0 0 0 0 0 17 6 1 0 0 0 17 1 1 0 0 0 14 3 1 0 0 0 6 4 1 0 0 0 13 2 2 0 0 0 1 3 1 0 0 0 1 9 1 0 0 0 4 3 1 0 0 0 4 16 1 0 0 0 15 18 2 0 0 0 2 9 1 0 0 0 2 10 1 0 0 0 9 8 1 0 0 0 16 18 1 0 0 0 18 12 2 0 0 0 10 5 2 0 0 0 8 7 2 0 0 0 5 7 1 0 0 0 5 11 1 0 0 0 1 19 1 0 0 0 3 20 1 0 0 0 4 21 1 0 0 0 6 22 1 0 0 0 6 23 1 0 0 0 7 24 1 0 0 0 8 25 1 0 0 0 11 26 1 0 0 0 11 27 1 0 0 0 14 28 1 0 0 0 18 29 1 0 0 0 29 30 1 0 0 0 M END $$$$