B3W4MI -OEChem-04012114382D 39 42 0 0 0 0 0 0 0999 V2000 6.6353 -0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.2507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8224 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5291 3.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7407 3.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 2.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 1.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 3.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 0.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4933 1.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1324 2.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3593 3.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5124 3.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$