BO84MS -OEChem-04012118222D 34 36 0 0 0 0 0 0 0999 V2000 7.2622 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 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 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END $$$$