BTKQ54 -OEChem-04022118043D 50 53 0 0 0 0 0 0 0999 V2000 9.4188 2.3616 0.5750 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9198 -0.4453 -0.0117 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2607 1.8230 0.0253 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5636 -2.3967 0.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7086 2.8454 -0.8999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 2.1514 1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -2.0150 -0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 0.9037 -0.7422 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 0.2271 -0.3053 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5449 0.6377 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1838 -0.7080 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7696 -0.3842 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 0.0025 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 -1.1331 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 -0.2345 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 0.0615 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8732 1.0635 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2259 -1.6393 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4267 -0.2695 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -0.8249 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0702 0.1710 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 1.2821 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -1.1044 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 1.3368 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -1.0498 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8861 0.1190 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -1.2295 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1678 0.9060 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -1.4792 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 0.8720 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 -1.5133 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 -0.3377 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 0.9330 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -0.7855 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 1.2835 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 -1.1750 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 0.5473 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1305 2.1135 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0203 -2.7026 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 2.1971 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 -2.0613 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 1.1563 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 2.2943 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0441 -1.9925 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9261 0.4313 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3552 -1.9675 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6576 1.8467 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5068 -2.4011 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -2.6033 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9498 -2.4646 -0.1563 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 $$$$