B9NTC8 -OEChem-04022106023D 38 41 0 0 0 0 0 0 0999 V2000 -7.6678 -1.1061 0.0767 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 -1.3203 -0.3249 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 2.3016 -0.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 3.3027 0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 3.2678 -1.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -1.1693 0.1029 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 0.2350 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -1.0289 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 1.3626 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -0.7920 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 0.3446 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -0.0559 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 1.2211 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 -2.1487 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -2.0400 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 -0.3111 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -0.6767 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 2.7108 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 0.2568 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 -1.1248 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 0.4221 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -1.6927 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3975 0.0108 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 -1.3707 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 0.2041 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9739 -0.8030 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 1.3203 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 -3.1371 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 -2.9552 0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5952 0.8864 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -1.5729 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 1.3305 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -2.6379 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 0.4583 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 -2.0060 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 3.1228 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 0.8663 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 4.2064 0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 19 23 1 0 0 0 0 19 30 1 0 0 0 0 20 24 2 0 0 0 0 20 31 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 26 2 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$