BU6A3I -OEChem-04042104513D 40 42 0 0 0 0 0 0 0999 V2000 3.5429 0.7481 -1.0235 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4628 -1.1616 1.1280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -2.9252 -0.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 -1.1531 -0.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 2.1312 0.5072 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 2.6871 -0.7102 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 2.7336 -1.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.7130 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -1.1314 -1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -3.0566 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -2.5004 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 -0.5944 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 2.1015 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 1.9359 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 2.1984 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 0.7476 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 1.8072 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3165 0.8407 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7223 -0.4442 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 -0.2583 -1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -1.5431 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 -1.4501 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -1.8015 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 -1.0137 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 -0.8745 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 -0.3904 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -3.8137 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -3.4151 1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.4547 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 -3.2503 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 2.8535 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 1.8342 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 3.0367 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 1.9977 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 1.3551 1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 1.7643 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -0.5315 2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5072 -0.1857 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -2.4719 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 -2.3060 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$