B92VIM -OEChem-04022112423D 26 27 0 0 0 0 0 0 0999 V2000 -6.6628 0.3518 -0.0380 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 -0.9871 0.0574 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3233 1.6412 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -2.7335 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -0.4470 -0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 -0.6172 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 0.7285 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 -0.5296 -1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -0.4153 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 1.9700 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 0.6278 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8633 -0.3708 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 2.0075 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1256 -0.2400 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -0.1255 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 0.8192 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 -0.0379 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -1.6422 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 -0.6836 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 -0.4792 2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 2.8969 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 2.9610 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 -0.1754 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6595 0.0290 2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 0.8404 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6684 -1.5984 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 15 2 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$