LDQ6B5 -OEChem-05022323023D 44 46 0 1 0 0 0 0 0999 V2000 -2.1119 -1.3797 -0.2100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -1.6982 1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -4.1057 -0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 2.9105 -0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 0.4669 0.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -3.0673 -0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -5.3446 -0.4295 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 0.5646 0.7313 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5982 0.0648 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 1.0663 -1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 1.9990 1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.4691 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -0.6862 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 -0.6384 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 -1.7550 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 0.5391 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 0.2793 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 1.1937 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 1.8293 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 1.4407 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3052 2.7136 -1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 2.3249 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -4.1479 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1135 2.9614 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 -0.0817 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -0.9096 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -0.0768 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.7437 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5349 1.0831 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 2.3716 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 2.0118 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 2.4974 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 3.1696 -1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 3.8447 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 1.2475 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 1.5296 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 -3.2791 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 1.6481 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 0.9538 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 3.2093 -2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4774 2.5183 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9495 3.6500 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -6.2151 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 -5.3872 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 35 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 37 1 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$