B1JYL5 -OEChem-04022113443D 27 27 0 0 0 0 0 0 0999 V2000 3.0528 -1.3707 0.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 0.1989 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 0.0663 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 0.0100 0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 1.1903 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 -1.1813 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 0.1804 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -0.1809 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 1.0667 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -1.3048 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 -0.3104 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 0.8549 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 0.7806 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 1.1836 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 -0.5314 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -0.9876 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 0.7338 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 2.1660 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -2.0646 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6104 1.1824 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7577 -0.5523 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 0.0391 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 1.9603 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -2.2847 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 1.7567 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 1.6247 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -0.1017 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 10 2 0 0 0 0 6 19 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 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$