BA3GB9 -OEChem-04042102493D 38 40 0 0 0 0 0 0 0999 V2000 -3.3523 0.9993 -0.1521 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 0.8446 -1.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 1.7052 1.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 -1.3475 0.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 0.8991 0.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9755 1.6631 -0.9417 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 0.1035 -1.8937 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 1.6158 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 0.8267 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 0.8144 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 0.0201 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 -0.6286 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 2.3789 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7087 1.5819 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 2.3621 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 -0.7266 -1.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.8615 1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -1.6776 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 -0.6506 -2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -0.0655 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -2.1435 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 -2.9596 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 -3.1926 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 -1.5610 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 1.4973 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 3.0087 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 1.5859 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 2.9554 2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 -1.3487 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 -0.0612 2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4586 -1.5171 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -1.2117 -3.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 -2.3249 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -3.7760 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5495 -4.1905 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 -2.6242 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -0.9853 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 -1.2846 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 20 2 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 9 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$