CBJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 38 41 0 0 0 0 0 0 0 0999 V2000 0.2497 0.9812 -3.0822 O 0 0 0 0 0 0.8931 0.6393 -2.1118 C 0 0 0 0 0 2.2054 -0.0866 -2.1298 C 0 0 0 0 0 2.8368 -0.4504 -3.0993 O 0 0 0 0 0 2.5590 -0.2596 -0.7087 C 0 0 0 0 0 3.6447 -0.8500 -0.0628 C 0 0 0 0 0 3.6994 -0.8581 1.3178 C 0 0 0 0 0 5.1685 -1.6566 2.2007 BR 0 0 0 0 0 2.6785 -0.2816 2.0546 C 0 0 0 0 0 1.5974 0.3071 1.4240 C 0 0 0 0 0 1.5226 0.3253 0.0379 C 0 0 0 0 0 0.5621 0.8484 -0.8264 N 0 0 0 0 0 -0.6543 1.5360 -0.3880 C 0 0 0 0 0 -1.7910 0.5499 -0.3159 C 0 0 0 0 0 -1.5547 -0.7909 -0.5249 C 0 0 0 0 0 -2.5950 -1.7029 -0.4620 C 0 0 0 0 0 -3.8849 -1.2779 -0.1877 C 0 0 0 0 0 -4.8914 -2.1930 -0.1346 O 0 0 0 0 0 -6.1032 -1.7807 0.5080 C 0 0 0 0 0 -6.4704 -0.3840 -0.0118 C 0 0 0 0 0 -5.3952 0.5081 0.3009 O 0 0 0 0 0 -4.1402 0.0707 0.0270 C 0 0 0 0 0 -3.0865 0.9931 -0.0321 C 0 0 0 0 0 -3.3437 2.4267 0.1985 C 0 0 0 0 0 -3.7136 3.1327 -0.7191 O 0 0 0 0 0 -3.1689 2.9538 1.4256 O 0 0 0 0 0 4.4403 -1.2993 -0.6401 H 0 0 0 0 0 2.7268 -0.2908 3.1335 H 0 0 0 0 0 0.8078 0.7522 2.0114 H 0 0 0 0 0 -0.4898 1.9733 0.5978 H 0 0 0 0 0 -0.9025 2.3247 -1.0982 H 0 0 0 0 0 -0.5521 -1.1321 -0.7389 H 0 0 0 0 0 -2.3988 -2.7527 -0.6276 H 0 0 0 0 0 -6.9029 -2.4828 0.2717 H 0 0 0 0 0 -5.9530 -1.7433 1.5867 H 0 0 0 0 0 -6.6151 -0.4197 -1.0915 H 0 0 0 0 0 -7.3860 -0.0416 0.4709 H 0 0 0 0 0 -3.2782 3.9111 1.5122 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 12 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 23 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 17 22 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 6 27 1 0 0 0 9 28 1 0 0 0 10 29 1 0 0 0 13 30 1 0 0 0 13 31 1 0 0 0 15 32 1 0 0 0 16 33 1 0 0 0 19 34 1 0 0 0 19 35 1 0 0 0 20 36 1 0 0 0 20 37 1 0 0 0 26 38 1 0 0 0 M END $$$$