B85XSG -OEChem-04022106052D 36 36 0 0 0 0 0 0 0999 V2000 4.5981 0.8370 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.7019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -2.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -3.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -2.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -4.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -5.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -0.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5497 -1.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 -0.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 0.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 -3.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 -4.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 -5.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 -5.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 -4.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.1470 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 8 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 5 17 2 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 19 2 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END $$$$