B6U1WS -OEChem-04012113313D 26 27 0 0 0 0 0 0 0999 V2000 4.1321 0.7650 -1.3430 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -0.3621 1.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 1.4157 0.3634 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 0.8351 -0.2037 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 -0.8441 0.4935 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6473 -1.2282 0.1825 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.3543 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 0.4677 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 0.9948 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -0.8883 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4086 0.1660 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6093 -1.7172 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 0.5332 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 -1.1901 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 0.1700 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -0.4717 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0325 2.3781 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 1.0160 2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 2.1184 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 2.0492 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -1.3129 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0774 0.5763 -1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 -2.7729 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1846 -1.8354 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 1.6105 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1701 -0.6168 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 24 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$