B85CFU -OEChem-04022112423D 26 27 0 0 0 0 0 0 0999 V2000 -1.9938 -1.0468 2.7245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9429 0.6058 -2.5197 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -0.9251 -0.1233 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2697 1.6499 0.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 -2.6554 -0.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.4140 -0.2051 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 -0.5377 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8763 0.7372 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 -0.5953 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 -0.1665 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5185 1.9381 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 0.6561 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 0.1474 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1206 -0.2816 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 0.0897 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 -0.3552 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 1.9589 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6018 0.7946 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5398 -1.6001 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 -0.1185 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 2.8462 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 -0.3210 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 0.3316 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 2.8806 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 0.8030 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.5698 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 16 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$