LB0CL6 -OEChem-05022322113D 44 47 0 0 0 0 0 0 0999 V2000 3.3729 2.7640 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 -0.9386 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -2.1898 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 0.1841 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 -0.5430 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -0.4292 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 1.0290 1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.0294 -1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 0.3837 1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 0.3850 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -0.9475 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9476 -1.9194 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 -0.0412 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 0.8924 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 0.8939 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 1.6915 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.9697 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 1.9698 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 -2.3338 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -2.8361 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 -1.2962 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 0.3944 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 1.6467 1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 1.6472 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 0.3950 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 1.2438 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 -0.2337 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 1.2453 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -0.2314 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 1.0308 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9766 1.5173 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4911 0.0409 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 0.0426 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9722 1.5199 -2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5238 2.6172 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1684 1.9847 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 1.4246 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 2.6501 2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 1.4244 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 2.6503 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 -3.1266 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 -3.0334 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 -3.9044 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 12 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 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 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$