B5YR8J -OEChem-04022118413D 41 43 0 0 0 0 0 0 0999 V2000 1.4834 2.2348 -0.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -2.2399 -0.7354 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 2.1875 0.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2031 -0.3787 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 -3.0879 -0.5746 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4379 -2.6915 1.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -0.0019 -0.0398 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.3515 0.4091 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3305 0.2330 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 0.0571 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 -1.0845 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -0.9966 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 0.3248 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 1.3748 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1676 1.2869 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.6752 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 1.0524 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4568 0.5876 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 0.1505 -1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 1.6149 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -0.6187 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 -0.9729 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4871 1.2606 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -0.0333 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 0.6762 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 0.2392 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5585 0.5020 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 -1.8888 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 2.3403 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 2.2175 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.9204 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 0.7261 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -0.0551 -2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 2.6239 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 -1.3619 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3804 0.8809 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4287 0.1035 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6424 0.5709 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -2.7517 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 3.0247 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2898 -1.3102 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 22 1 0 0 0 0 2 39 1 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 24 1 0 0 0 0 4 41 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 17 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 25 1 0 0 0 0 18 32 1 0 0 0 0 19 26 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$