BP32JS -OEChem-04012114332D 29 30 0 0 0 0 0 0 0999 V2000 6.3301 -1.8844 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.2088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 3.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 9 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 6 19 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$