B29UBK -OEChem-04022103323D 42 44 0 0 0 0 0 0 0999 V2000 -5.3168 1.6456 -0.1381 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 0.5950 -0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -2.2887 -0.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -3.6228 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 -3.2051 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 0.6758 0.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.3115 0.8616 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 0.0458 0.0489 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -0.9161 -0.1435 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 1.7727 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -0.5926 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 0.5871 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 1.8377 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 -0.4715 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -0.2038 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 -1.3472 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 -1.2316 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -2.3587 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 0.1713 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 -2.2233 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6127 1.5182 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 2.7521 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9536 3.8163 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 3.3552 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5263 2.7309 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 1.6185 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -0.8491 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -1.4176 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 1.5922 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 0.1561 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 2.6145 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 2.0833 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 -1.3950 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 -0.3051 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 -1.2186 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 0.2944 2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 0.4192 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8438 -0.7560 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 2.8947 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 4.8666 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -4.2559 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1552 3.9405 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 16 2 0 0 0 0 4 18 1 0 0 0 0 4 41 1 0 0 0 0 5 20 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$