L0SJ8M -OEChem-05022322472D 43 45 0 0 0 0 0 0 0999 V2000 6.3301 3.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 4.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 18 1 0 0 0 0 4 8 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 30 1 0 0 0 0 6 15 2 0 0 0 0 6 22 1 0 0 0 0 7 16 1 0 0 0 0 7 22 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$