B5E1OS -OEChem-04012114552D 32 33 0 0 0 0 0 0 0999 V2000 5.5686 2.9365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 4.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 2.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$