LBJQ45 -OEChem-05032301012D 35 37 0 0 0 0 0 0 0999 V2000 5.4641 1.1082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6845 -0.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 -1.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.1966 0.0000 B 0 3 0 0 0 0 0 0 0 0 0 0 10.4118 1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 1.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 -0.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9827 -1.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 29 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 27 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 1 21 1 M END $$$$