B4IUM2 -OEChem-04012113262D 44 47 0 1 0 0 0 0 0999 V2000 5.7253 3.4508 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9034 3.0943 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -0.4508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 1.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 1.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 3.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 0.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3853 1.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4391 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2514 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 0.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2514 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 1.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0354 2.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 -1.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8494 -1.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8494 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 -0.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 1.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 -0.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -0.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 -0.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 -0.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6543 0.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5607 1.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5805 -1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 -1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 2.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5805 -3.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 -3.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -4.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 13 3 1 6 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 6 0 0 0 9 14 1 0 0 0 0 9 28 1 6 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$