B2HET7 -OEChem-04012114183D 22 22 0 0 0 0 0 0 0999 V2000 -4.6127 -0.3494 -0.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 2.2059 0.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -0.3401 -0.6437 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -0.0978 0.4969 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 0.9362 -0.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -0.0530 0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3321 -0.2268 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 -0.1613 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6705 1.0947 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -1.3114 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 -1.4467 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 -0.2502 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 0.9120 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5423 -0.8245 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 0.5391 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -1.1841 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -0.9477 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 0.8126 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 -2.1792 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 1.7800 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 -2.4105 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 -0.3031 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 12 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$