BS0EK9 -OEChem-04022106483D 36 38 0 1 0 0 0 0 0999 V2000 -4.3493 -1.9001 0.3929 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -0.4893 -0.9739 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 2.1113 1.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 2.1489 -0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -2.5700 -0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -0.3371 -0.1418 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -2.0348 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 1.4603 -0.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 0.6516 -0.1489 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 2.9014 -0.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.8729 0.9382 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5381 0.3812 -0.3464 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6430 0.9648 0.5244 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7992 -0.2485 -0.3869 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2271 -1.5025 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 0.1866 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -1.6740 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 -0.8817 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 -0.6139 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 1.5962 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 -1.0232 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 0.1441 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 1.2023 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 0.9948 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.0588 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 -1.7907 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1987 -1.3570 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 1.9772 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 2.1527 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.3358 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -3.3569 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 3.6515 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 3.0681 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7506 -1.7353 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0775 -0.5858 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9922 -0.2383 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$