B2THK4 -OEChem-04012117242D 53 57 0 0 0 0 0 0 0999 V2000 5.3288 4.0943 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -2.9555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -3.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9669 -3.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 -0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 0.1049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8435 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8275 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6276 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6196 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -0.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -0.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8435 -1.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0951 -2.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1891 2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 3.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -3.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 1.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 0.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1228 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3246 2.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2376 1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8411 1.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8241 -0.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 0.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2465 -1.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8435 -2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 0.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 1.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 1.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -4.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 2.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -2.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -3.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 22 2 0 0 0 0 6 26 2 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$