27M Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 0.9851 0.4417 -2.1469 O 0 0 0 0 0 1.7079 0.1650 -1.0326 C 0 0 0 0 0 2.9513 -0.4338 -1.1411 C 0 0 0 0 0 3.6872 -0.7155 0.0008 C 0 0 0 0 0 4.9059 -1.3015 -0.1080 O 0 0 0 0 0 3.1808 -0.3979 1.2584 C 0 0 0 0 0 1.9513 0.1941 1.3786 C 0 0 0 0 0 1.2006 0.4885 0.2364 C 0 0 0 0 0 -0.1189 1.1301 0.3622 C 0 0 0 0 0 -0.1963 2.3169 0.6216 O 0 0 0 0 0 -1.3461 0.3360 0.1772 C 0 0 0 0 0 -1.2650 -1.0484 -0.0083 C 0 0 0 0 0 -2.4070 -1.7854 -0.1814 C 0 0 0 0 0 -3.6516 -1.1624 -0.1732 C 0 0 0 0 0 -4.7776 -1.9009 -0.3456 O 0 0 0 0 0 -3.7469 0.2095 0.0098 C 0 0 0 0 0 -2.6016 0.9642 0.1907 C 0 0 0 0 0 -2.6905 2.3050 0.3752 O 0 0 0 0 0 1.1581 1.3171 -2.5199 H 0 0 0 0 0 3.3488 -0.6813 -2.1148 H 0 0 0 0 0 5.6382 -0.6747 -0.1881 H 0 0 0 0 0 3.7601 -0.6201 2.1423 H 0 0 0 0 0 1.5627 0.4384 2.3568 H 0 0 0 0 0 -0.3009 -1.5363 -0.0151 H 0 0 0 0 0 -2.3407 -2.8533 -0.3248 H 0 0 0 0 0 -5.1588 -2.2354 0.4779 H 0 0 0 0 0 -4.7152 0.6877 0.0145 H 0 0 0 0 0 -2.6640 2.8173 -0.4438 H 0 0 0 0 0 5 4 1 0 0 0 3 4 2 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 1 2 1 0 0 0 2 8 2 0 0 0 6 7 2 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 10 9 2 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 11 17 1 0 0 0 18 17 1 0 0 0 12 13 1 0 0 0 17 16 2 0 0 0 13 14 2 0 0 0 16 14 1 0 0 0 14 15 1 0 0 0 1 19 1 0 0 0 3 20 1 0 0 0 5 21 1 0 0 0 6 22 1 0 0 0 7 23 1 0 0 0 12 24 1 0 0 0 13 25 1 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 M END $$$$