B9ZHM4 -OEChem-04022106343D 39 41 0 0 0 0 0 0 0999 V2000 -5.8329 -0.5538 -0.2568 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -1.0144 -0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -1.3705 2.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 1.4332 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2029 1.6902 -0.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8743 1.8006 0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2899 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 -1.1047 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 -1.2839 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -1.3764 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -0.2216 -1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0763 -1.1107 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.0181 -1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 0.3387 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -1.3855 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1192 -0.3893 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 1.5694 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4314 -0.3779 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7285 1.0308 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 2.0902 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 0.1429 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 1.3771 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0959 1.1753 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 -0.1518 2.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -1.5168 1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.6202 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 -0.8445 -2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -1.0476 -2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8309 -0.9085 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -2.4055 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 2.1318 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 -1.3410 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 3.0506 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 -0.4125 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 1.7824 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 2.8075 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 0.3232 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5322 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -0.3847 3.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 24 1 0 0 0 0 4 19 2 0 0 0 0 5 23 2 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 36 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$