BB1XC3 -OEChem-04012120172D 41 43 0 1 0 0 0 0 0999 V2000 3.5962 -2.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 0.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -1.2330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5472 -2.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5962 -0.9239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4935 -2.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 1.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7396 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3825 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7181 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 -3.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 -0.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 -3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 -2.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 -1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 0.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0727 1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 1.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 0.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9684 2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 0.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 3.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 1.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 1 0 0 0 8 11 1 0 0 0 0 8 12 1 1 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 28 1 0 0 0 0 10 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 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 37 1 0 0 0 0 19 21 2 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 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$