B1M5KY -OEChem-04042104503D 39 40 0 0 0 0 0 0 0999 V2000 -8.7130 -1.0021 0.5279 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 1.8717 -0.1871 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 0.5578 0.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9415 1.9101 -1.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 3.0391 0.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 -1.2354 0.7421 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 -3.7784 -0.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 0.5141 0.5159 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2382 -2.9311 -0.3238 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 1.4811 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 0.7773 -1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 1.8752 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 0.8618 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 0.4678 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 1.5657 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 -0.1613 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 -0.8258 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -0.3642 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5883 -1.5009 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1045 0.5823 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 -1.6613 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9427 -1.6910 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4589 0.3922 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8781 -0.7445 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7818 0.4580 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 2.4181 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 0.5498 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -0.0844 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 1.8738 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -1.1436 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 0.3960 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -0.7768 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 -1.2951 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 -2.2447 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7908 1.4735 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 -2.5819 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1749 1.1396 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 -3.3444 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 -3.6575 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$