B2THK4 -OEChem-04022106033D 53 57 0 0 0 0 0 0 0999 V2000 2.1641 6.1752 -1.7763 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -2.7111 1.6734 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -0.8067 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 -2.2079 -2.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -3.7219 -1.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -2.2076 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.5343 0.8791 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -0.1359 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 1.0109 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 0.8826 1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5336 0.5157 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1016 -0.8460 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -0.9873 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 -0.2977 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 -1.3531 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1075 -2.0304 -1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 -2.2113 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.5234 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 0.3399 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4238 -0.6667 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 1.3017 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 -2.5944 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 2.5321 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 3.6480 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 2.5111 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -1.6414 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 4.7805 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 3.6437 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 4.7783 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.7421 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 -1.1436 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 -1.4893 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -2.3362 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0835 1.9396 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6531 1.0906 2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 0.1137 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0607 1.8273 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4065 1.2813 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5986 0.4904 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 -1.6312 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5845 -1.0100 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 -2.7079 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -3.0338 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 1.6212 2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 0.8201 1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 3.6584 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 1.6395 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 -2.9290 -3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 5.6572 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 3.6283 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -0.4908 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -1.1352 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1003 -2.7526 1.1850 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 $$$$