B6MY5D -OEChem-04012118052D 42 44 0 0 0 0 0 0 0999 V2000 3.4030 1.2220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -0.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 1.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5369 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4049 -0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0010 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8690 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -1.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 1.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 1.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0012 -0.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4073 -1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 0.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6007 0.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5610 -1.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4071 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1769 -0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$