CQB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 39 0 0 0 0 0 0 0 0999 V2000 -5.1095 2.5292 -0.8509 O 0 0 0 0 0 -4.6870 1.2601 -0.7364 C 0 0 0 0 0 -5.3426 0.3606 -1.2069 O 0 0 0 0 0 -3.3960 0.9583 -0.0211 C 0 0 0 0 0 -3.1483 -0.5514 -0.0321 C 0 0 0 0 0 -1.8367 -0.8586 0.6939 C 0 0 0 0 0 -1.6532 -2.3516 0.7911 C 0 0 0 0 0 -0.7375 -2.8858 0.2134 O 0 0 0 0 0 -2.5084 -3.0867 1.5198 O 0 0 0 0 0 -0.7282 -0.2818 -0.0449 O 0 0 0 0 0 0.3478 0.1021 0.6681 C 0 0 0 0 0 0.3591 -0.0405 1.8746 O 0 0 0 0 0 1.4116 0.6449 0.0431 N 0 0 0 0 0 2.5826 1.0624 0.8189 C 0 0 0 0 0 2.3628 2.4574 1.3476 C 0 0 0 0 0 1.3349 3.0422 1.1009 O 0 0 0 0 0 3.3108 3.0494 2.0917 O 0 0 0 0 0 3.8212 1.0465 -0.0777 C 0 0 0 0 0 4.0924 -0.3844 -0.5473 C 0 0 0 0 0 5.2401 -0.3817 -1.5584 C 0 0 0 0 0 4.4732 -1.2522 0.6548 C 0 0 0 0 0 -5.9445 2.6732 -1.3185 H 0 0 0 0 0 -2.5735 1.4654 -0.5259 H 0 0 0 0 0 -3.4605 1.3085 1.0094 H 0 0 0 0 0 -3.9699 -1.0584 0.4728 H 0 0 0 0 0 -3.0829 -0.9016 -1.0625 H 0 0 0 0 0 -1.8676 -0.4308 1.6961 H 0 0 0 0 0 -2.3508 -4.0393 1.5514 H 0 0 0 0 0 1.4021 0.7588 -0.9196 H 0 0 0 0 0 2.7283 0.3766 1.6533 H 0 0 0 0 0 3.1249 3.9445 2.4080 H 0 0 0 0 0 3.6514 1.6863 -0.9443 H 0 0 0 0 0 4.6803 1.4133 0.4825 H 0 0 0 0 0 3.1959 -0.7896 -1.0173 H 0 0 0 0 0 6.1234 0.0686 -1.1044 H 0 0 0 0 0 5.4666 -1.4060 -1.8555 H 0 0 0 0 0 4.9492 0.1957 -2.4366 H 0 0 0 0 0 3.6554 -1.2544 1.3752 H 0 0 0 0 0 4.6660 -2.2712 0.3199 H 0 0 0 0 0 5.3698 -0.8470 1.1238 H 0 0 0 0 0 8 7 2 0 0 0 3 2 2 0 0 0 7 9 1 0 0 0 7 6 1 0 0 0 2 1 1 0 0 0 2 4 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 6 10 1 0 0 0 12 11 2 0 0 0 20 19 1 0 0 0 10 11 1 0 0 0 11 13 1 0 0 0 18 19 1 0 0 0 18 14 1 0 0 0 19 21 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 1 22 1 0 0 0 4 23 1 0 0 0 4 24 1 0 0 0 5 25 1 0 0 0 5 26 1 0 0 0 6 27 1 0 0 0 9 28 1 0 0 0 13 29 1 0 0 0 14 30 1 0 0 0 17 31 1 0 0 0 18 32 1 0 0 0 18 33 1 0 0 0 19 34 1 0 0 0 20 35 1 0 0 0 20 36 1 0 0 0 20 37 1 0 0 0 21 38 1 0 0 0 21 39 1 0 0 0 21 40 1 0 0 0 M END $$$$