B2KZ3M -OEChem-04022113323D 29 30 0 1 0 0 0 0 0999 V2000 -2.8346 0.0798 -1.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.3421 -0.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 0.3980 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 2.2570 0.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 -3.9589 0.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 0.9101 -0.3223 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5784 1.2379 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 1.2219 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 0.0818 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 0.2360 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 0.9837 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 -1.1530 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 0.3427 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 -1.7941 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 -1.0463 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.1033 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 -3.2421 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 1.8205 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 2.1934 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 0.4604 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 1.0799 1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 2.1633 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -0.8827 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9082 0.1875 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -1.7375 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -1.5598 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 2.7239 -0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -3.6922 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 0.9173 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 16 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 26 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$