BU8C3X -OEChem-04012114223D 28 29 0 1 0 0 0 0 0999 V2000 -2.8159 -0.8647 0.3953 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 1.9819 1.3340 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -0.8054 0.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -1.7885 -0.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 0.7255 -0.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -1.1337 1.6661 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 0.8851 -0.9694 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0656 1.0321 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 0.0897 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 2.0371 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 0.4914 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 2.0962 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -1.1204 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -0.2766 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.8845 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -1.4650 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 0.0051 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5571 1.5017 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 2.1612 -2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 1.8425 -2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 2.9883 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 2.9394 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -1.4778 -1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 0.0440 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -2.8115 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -2.0659 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 -2.1141 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 -0.5245 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$