BUT2R4 -OEChem-04042106273D 36 39 0 0 0 0 0 0 0999 V2000 -7.2840 -0.0031 -0.4325 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 -2.1885 0.7837 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -3.1664 -0.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -2.4059 2.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 2.3628 -0.7746 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7236 0.3385 -0.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 0.3369 0.0764 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -1.6257 0.6555 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8477 1.2024 -0.4004 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7961 0.2318 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -0.6979 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 -0.3759 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 -0.1456 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 0.4858 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -0.4306 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1258 1.5088 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -0.0375 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 0.8556 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 1.8165 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -1.2766 -1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.6250 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -1.1768 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 -1.7913 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5408 0.5936 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2785 2.2394 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5016 1.7247 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5888 1.3505 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -1.1998 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 2.2584 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 2.8226 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -1.7660 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 2.0597 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 -1.6213 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -2.6684 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 3.1187 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 2.2210 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 12 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$