BA8Q4X -OEChem-04022106123D 31 33 0 0 0 0 0 0 0999 V2000 -3.1135 -3.2065 -0.0273 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1222 -2.0181 -0.0040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -0.9396 0.0199 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 -3.5548 0.0385 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 1.0362 -0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 1.2693 -0.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -1.0197 -0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 1.6341 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 2.0344 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 0.7404 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 0.5571 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 1.7632 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 3.0030 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 3.2631 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 0.3491 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -0.6392 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 1.2523 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 -1.8837 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 -1.5233 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4315 -1.5069 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 0.3846 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -0.9950 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 2.6482 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 3.7358 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 4.2299 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.0617 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 2.3218 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 -2.1265 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -0.6993 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -2.1488 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 0.8006 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 16 20 1 0 0 0 0 16 26 1 0 0 0 0 17 21 2 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$