BSQ98G -OEChem-04022105333D 51 53 0 0 0 0 0 0 0999 V2000 3.3610 0.6891 -2.3962 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 -3.0091 0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 0.7010 -0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 3.9009 -0.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 -2.9817 1.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -1.3049 0.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6256 1.6757 -0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 2.3193 -0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 -0.7434 0.2086 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 -1.9712 -0.8572 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.1372 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 0.0506 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -2.3810 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 0.3678 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1138 -1.7371 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -3.2956 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 0.9978 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 2.7206 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0551 1.9623 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 -2.7567 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 3.3630 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 -1.3150 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 0.0834 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8474 -3.3507 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 1.0507 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 0.4052 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 2.3400 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 1.6945 1.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 2.6619 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -1.6412 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 -3.0879 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -2.8366 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -1.4301 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 -3.4735 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 -4.2768 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 1.6301 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2498 3.0307 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 1.4215 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3443 3.1309 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 4.3557 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 3.3609 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 -1.8206 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 -1.9248 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -1.2956 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 -4.4336 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 -3.0676 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 -2.8568 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 -0.3357 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 3.1060 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0218 1.9452 3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 3.6656 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$