BU68RC -OEChem-04022105313D 31 33 0 0 0 0 0 0 0999 V2000 5.0884 2.0571 -1.1415 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 1.6888 -0.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 2.6759 0.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 2.0860 -1.4672 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -2.2529 -1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 0.6076 0.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 0.6783 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 -0.6560 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.6961 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 -1.2694 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 1.2354 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.4414 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 -1.4107 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8756 0.4423 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 -0.9307 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8549 -0.8912 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 0.1443 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 -1.5506 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 0.5995 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -1.0956 1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9652 -0.0205 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 0.7790 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 2.2769 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 -2.4857 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 -2.4454 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7827 0.8649 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7449 -1.5046 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.6250 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.3890 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -1.5781 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 0.3219 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$