BMLU45 -OEChem-04022115273D 34 35 0 1 0 0 0 0 0999 V2000 -4.8098 2.8560 0.3435 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 1.3300 -1.1892 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 0.1524 -1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -0.7359 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 0.2706 1.0577 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 -1.3096 -0.2289 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7829 -2.6219 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -0.2604 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0838 -3.2862 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 -3.6279 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 -0.2283 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 0.6718 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -0.0454 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 0.7360 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 1.6363 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 1.6684 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 0.4579 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 1.4795 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 0.8567 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -1.5592 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 -2.3941 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -2.6814 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 -4.2569 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -3.4558 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -3.2389 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 -4.5609 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 -3.8695 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 -0.8150 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 -0.9450 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 0.6620 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 0.7494 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 2.3538 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 1.9974 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 0.8012 2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 17 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$