B5Z9AK -OEChem-04022107172D 41 43 0 0 0 0 0 0 0999 V2000 4.9071 1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2161 1.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.0734 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2891 1.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2454 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5251 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0734 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.0084 -0.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -0.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 1.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 -1.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 -0.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 0.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1148 2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 3.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 3.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M CHG 2 4 1 21 -1 M END $$$$