BR3EH5 -OEChem-04022102582D 42 43 0 0 0 0 0 0 0999 V2000 4.4131 4.3807 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3807 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 3.4672 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 2.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9295 2.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6237 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4647 4.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4158 3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 2.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 2.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2011 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 1.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1319 3.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2133 2.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3358 4.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 4.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$