BU9O7D -OEChem-04012120072D 44 44 0 1 0 0 0 0 0999 V2000 2.9418 4.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 5.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 9.6921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 10.2274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 5.9062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9907 4.9062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9418 6.2152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0445 6.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0445 4.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 5.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 7.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 5.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 7.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 8.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 8.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 9.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 6.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 4.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 6.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 6.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 6.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 4.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 4.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 7.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 7.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 6.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 7.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 8.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 8.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 7.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1300 8.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9948 10.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 9.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 10.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2061 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 20 1 0 0 0 0 3 44 1 0 0 0 0 4 20 2 0 0 0 0 5 18 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 18 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 1 0 0 0 8 11 1 0 0 0 0 8 22 1 6 0 0 0 9 13 1 1 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$