B45TDH -OEChem-04022105172D 41 42 0 1 0 0 0 0 0999 V2000 6.5468 3.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 4.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 4.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5686 3.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 4.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 3.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0677 1.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 1.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 3.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 41 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$