B8EPU3 -OEChem-04022100272D 40 42 0 0 0 0 0 0 0999 V2000 2.0000 -0.9552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 0.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 0.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 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 10 1 0 0 0 0 2 17 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 6 26 2 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 26 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 M END $$$$