B5ECQ9 -OEChem-04012119402D 31 33 0 0 0 0 0 0 0999 V2000 12.4394 0.6480 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 1.4106 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7757 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4449 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9449 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 -0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1970 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 21 31 1 0 0 0 0 M END $$$$