BJ9QN4 -OEChem-04022103503D 40 42 0 1 0 0 0 0 0999 V2000 1.7851 1.0812 0.5181 S 0 0 1 0 0 0 0 0 0 0 0 0 -5.7449 0.8619 -0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1277 -1.8320 -0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 2.2849 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.6406 0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -0.5232 0.3123 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 -1.4801 1.8393 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 0.9824 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -0.3666 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 0.6989 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 -0.3689 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -0.3075 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4486 1.4373 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 -1.3331 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 0.4617 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 -0.8994 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 -0.8530 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 0.3079 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1468 -0.7824 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0477 0.3785 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -0.1666 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4866 1.0625 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4702 -2.2850 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.3920 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -1.2849 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 2.6437 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 2.4961 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 -2.3917 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 0.7379 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 -1.2031 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5514 0.8582 -2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -0.1115 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -1.4544 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 -1.8593 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5452 0.1346 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5006 1.3694 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0318 1.8535 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2782 -3.0160 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6117 -2.7702 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8206 -1.4522 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$