B1LQS4 -OEChem-04022108233D 39 41 0 0 0 0 0 0 0999 V2000 7.4329 -1.0447 0.0304 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 -1.4899 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5936 2.3491 -0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 -0.0729 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 -1.2652 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1229 0.0837 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6569 -1.4110 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4173 -2.3878 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 1.2084 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 0.8765 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3636 -0.4476 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 -0.7624 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 1.8812 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 0.2382 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4505 1.5569 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 0.9981 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 0.4526 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 0.3817 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 0.0231 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 -0.1254 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4929 -0.4841 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1854 -0.5584 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 0.1025 1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1118 0.2787 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 -2.3798 -1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -1.3330 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -0.6499 -2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3462 -2.3580 1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4731 -2.3143 0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0444 -3.3727 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -1.7897 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 2.9164 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 2.3842 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 1.7488 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 1.4804 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 0.7136 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 0.0738 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1179 -0.1838 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 -0.8217 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$