B1KO2B -OEChem-04022106333D 42 44 0 0 0 0 0 0 0999 V2000 3.9717 0.7222 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 -0.1042 -0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 3.1510 -0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -0.7483 0.5278 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 0.0935 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 1.3253 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 1.2006 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 -0.1422 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -0.1034 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.4684 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 2.3761 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 0.9143 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.1557 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 2.0804 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1861 -0.5743 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 0.3160 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 1.6241 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 -2.3953 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -3.5922 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 3.2536 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -4.4673 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9652 -4.1638 0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 -1.4535 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -1.7103 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -1.3384 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -1.8920 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 3.3440 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3693 3.1037 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 -1.6013 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 2.3046 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -2.0393 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 4.2079 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 1.5632 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -3.9990 -2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 -5.4256 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 -4.6575 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -3.7807 1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 -3.9907 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -5.2476 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 -2.1642 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8175 -1.6167 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -1.6311 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$