BJUQ13 -OEChem-04012119582D 32 35 0 0 0 0 0 0 0999 V2000 7.0547 0.5377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6895 -2.2819 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 2.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.6619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.6617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6907 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 -0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8504 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2776 0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8635 0.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 -0.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END $$$$