B4GEA6 -OEChem-04022108043D 37 39 0 0 0 0 0 0 0999 V2000 2.3519 -1.8162 0.0427 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -0.5938 -0.6776 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 2.6073 0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 -2.4429 0.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -0.1661 0.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 3.0694 0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4323 0.1879 -0.9247 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7492 0.0492 1.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0704 0.4502 1.1518 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 0.7190 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -0.5724 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 0.2082 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -1.7868 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -1.1584 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 0.7675 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 -0.2304 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 2.1703 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 -1.2487 0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 -0.8066 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -0.0903 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4834 0.1559 -2.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4616 0.5278 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 1.4510 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 1.1261 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5393 -0.6150 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 -0.5855 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -2.1407 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -2.6057 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 0.7716 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 0.1298 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -1.5754 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 4.0649 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3256 2.8308 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.8621 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7444 0.8595 -2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4819 0.4489 -2.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4437 0.8145 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 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 M END $$$$