BWQU61 -OEChem-04022109133D 33 35 0 0 0 0 0 0 0999 V2000 -2.1053 0.1453 -2.5697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.3706 1.8131 0.2433 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 -2.8294 -0.0291 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 0.3786 0.7562 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -0.8758 0.4897 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 -0.3372 0.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 1.5820 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 0.4862 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 1.9330 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -0.3927 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 0.6131 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -1.2002 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -1.0050 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -0.3192 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.3608 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 0.2408 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -0.2154 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 0.8993 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3235 0.4435 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 1.0008 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 2.4497 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 1.1919 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8684 -0.0776 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6567 0.9310 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 2.6638 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 2.2877 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 -1.1410 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 -0.8724 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -1.6298 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8032 -3.0824 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6972 -0.6425 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 1.3350 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8564 0.5149 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 11 2 0 0 0 0 5 12 1 0 0 0 0 5 29 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 M END $$$$