BMLU45 -OEChem-04022101502D 34 35 0 1 0 0 0 0 0999 V2000 3.7320 -3.6012 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.9920 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 3.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 6 4 1 6 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 17 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$