BTKQ54 -OEChem-04022104522D 50 53 0 0 0 0 0 0 0999 V2000 11.5942 4.9330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 3.9330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -4.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -4.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -4.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 2.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2516 1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 32 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 14 1 0 0 0 0 4 49 1 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 26 1 0 0 0 0 17 38 1 0 0 0 0 18 27 1 0 0 0 0 18 39 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$