LE2BV5 -OEChem-05022322262D 41 44 0 0 0 0 0 0 0999 V2000 4.6660 -1.5557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -1.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -1.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 3.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 2.3686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -4.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -4.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 2.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 4.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 -3.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -3.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -4.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 -4.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -4.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7725 -4.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 2.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 4.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 3.8305 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 5 1 0 0 0 0 1 11 1 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$