B3HQE6 -OEChem-04022115363D 22 22 0 1 0 0 0 0 0999 V2000 -3.5920 -0.7634 -0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 1.7300 0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4168 0.2931 -1.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 1.9527 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 -1.8948 0.1799 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 -1.3753 -0.2723 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 0.6304 0.1242 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 -0.4195 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -0.5472 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 -0.5943 0.7580 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4722 -0.4139 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 0.4863 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 0.9157 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 0.5538 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.1706 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 0.2257 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -1.5221 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 -0.5140 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 -2.6373 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.0221 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 1.2274 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 2.4274 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$