B2W4BU -OEChem-04022102233D 28 28 0 1 0 0 0 0 0999 V2000 -2.9328 -0.6788 -0.1224 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 -2.1419 0.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 -0.9752 -1.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 0.2804 0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 2.2532 0.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 1.1937 -0.0705 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5389 1.6349 0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -0.1343 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 0.6559 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -0.3545 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 0.7858 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -1.2590 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 -0.1189 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -1.1413 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 1.0818 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 1.7975 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 2.6120 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 -0.9411 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 -0.0729 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 2.0254 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 3.1250 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -0.4535 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 1.5770 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -2.0544 1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0475 -0.0277 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -1.8456 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -2.6590 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 -1.2681 -2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$