B6AUM4 -OEChem-04042106583D 40 43 0 0 0 0 0 0 0999 V2000 -5.3738 0.3384 -0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 -0.6742 2.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 2.1495 -1.7798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 2.1208 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 -0.0109 -0.0404 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -4.1708 -0.4614 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 -0.0719 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.9223 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.5491 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 1.9187 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 0.8587 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -1.4633 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 2.8053 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 1.5427 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 0.1134 1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 2.2431 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 0.8689 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6956 -2.3883 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 -1.8905 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 0.0524 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9412 1.4817 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 0.7366 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 -3.7181 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 -3.2428 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4646 -1.0710 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 3.0219 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 3.8724 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 2.1224 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9004 -0.4162 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 2.8772 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -2.0957 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -1.2061 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 0.6891 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 -4.4788 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -3.6274 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -1.0818 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 2.6115 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -1.3925 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 -1.5935 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -1.3373 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 36 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 17 2 0 0 0 0 6 23 2 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 21 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$