B86AIV -OEChem-04012114022D 47 49 0 1 0 0 0 0 0999 V2000 7.5061 0.1546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 1.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 0.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -3.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 0.6773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 2.0357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 1.4433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5389 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 2.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 3.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 4.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 4.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8807 -0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -4.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 0.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 2.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 3.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -1.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 -1.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5176 3.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 4.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 2.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -3.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6918 -1.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 -2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4823 -0.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 -4.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -4.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 -4.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 26 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 7 5 1 6 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 24 2 0 0 0 0 18 23 2 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 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 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$