BXG80K -OEChem-04022108593D 31 31 0 1 0 0 0 0 0999 V2000 -2.9170 0.5034 -1.4000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.7525 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -0.9766 1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2989 -2.2181 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 1.5005 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 1.4366 -0.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 -0.4002 -1.5535 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 2.3611 1.2166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 0.1811 0.2079 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4055 0.5309 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2183 0.1540 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 0.5143 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 1.4167 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -0.3637 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1728 -1.1311 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 0.5073 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7309 -0.9056 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -2.3582 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 0.9915 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -0.6376 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6009 1.1122 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 -0.0446 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 -1.1006 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 -0.2776 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 -0.5973 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 -2.5114 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -2.9996 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -2.6851 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7485 2.1078 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 3.0002 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -1.8296 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$