B5LQN4 -OEChem-04022114043D 27 28 0 0 0 0 0 0 0999 V2000 -4.0888 2.2098 -0.1684 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 1.8753 -0.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 -0.3812 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -2.7455 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 0.8767 0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -0.3176 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -1.4743 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 0.9270 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 -1.3861 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 0.6805 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 0.2928 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 1.0150 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 -0.1416 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.9573 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 1.1658 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 -1.2915 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -0.3477 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -1.3125 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 1.8697 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2541 -2.2792 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -0.0724 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -1.6863 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 2.1551 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -3.5674 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 -2.8615 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -2.2571 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -0.5585 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 15 1 0 0 0 0 5 17 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 8 19 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$