B9QVS2 -OEChem-04022106102D 39 41 0 0 0 0 0 0 0999 V2000 3.0879 -2.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 0.3801 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0405 1.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -1.2709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 0.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 0.8768 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3802 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 3.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 3.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -3.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 1.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 0.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -1.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -2.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -0.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 1.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 2.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 3.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 4.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -4.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 -4.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 -3.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 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 CHG 2 3 -1 7 1 M END $$$$