B1BXO5 -OEChem-04042105413D 36 37 0 0 0 0 0 0 0999 V2000 -1.2415 1.2638 0.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 2.4662 0.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 1.3492 2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 -1.9991 1.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 2.2986 -1.2421 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5539 2.1738 0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0282 0.1379 0.8396 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 1.6428 -0.1738 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4984 0.4496 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -0.2614 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 -0.7425 0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 -0.6849 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 1.0211 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 0.2502 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 -1.3631 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -1.3796 1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -2.0461 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 0.4006 -1.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -0.7915 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 -0.1760 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 -2.4723 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6758 -1.5373 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -1.0861 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.5516 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -0.5454 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4877 1.9475 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 -2.2931 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 -0.7045 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 -2.1731 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 -2.7884 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 0.8450 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -1.2749 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 0.5410 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -3.5322 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7075 -1.8692 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -2.4341 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$