BR1TS3 -OEChem-04022116523D 40 43 0 0 0 0 0 0 0999 V2000 6.6482 2.4747 0.6947 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 0.8757 -1.4070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6022 -0.8405 0.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4689 -0.1009 -0.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -0.3988 0.1957 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -0.0309 0.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 0.4805 0.1791 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -1.8772 -0.0486 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3461 -1.0177 -0.0659 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9276 1.0719 0.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 -1.0724 -0.1388 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -3.3487 -0.2935 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -1.5400 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 0.9295 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -1.2123 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 1.0163 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -0.5711 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 0.0415 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 1.2964 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 0.2598 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 -2.1139 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 0.2217 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 0.7032 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7659 2.0190 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1794 2.0237 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5585 0.7104 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 -2.4114 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -1.8133 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 1.7143 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 1.1353 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -0.9928 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -2.0706 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 2.0064 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 0.8936 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 1.7188 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -3.4745 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -4.1835 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1194 2.8772 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8394 2.8773 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 0.2146 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 21 2 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 22 2 0 0 0 0 12 21 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$