BE8IS2 -OEChem-04042102073D 39 42 0 1 0 0 0 0 0999 V2000 -3.2435 1.5045 -1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 3.5304 0.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.8703 0.4151 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.0832 0.2002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 2.1712 0.1039 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.6196 0.2870 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7937 -0.2888 -0.6999 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9364 1.1991 -0.8316 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3565 0.7601 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -1.1330 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -1.3088 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 1.8684 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -2.4504 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5008 -1.5295 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 -0.3470 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -0.1414 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 1.9996 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -1.4793 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -1.5771 1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 -2.2698 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -2.3675 1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -2.7138 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 0.7227 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 -0.7542 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 1.6384 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7653 -1.5788 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -3.4519 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 -2.3959 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5401 -0.8581 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 -1.9131 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 -1.3438 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 2.9123 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 -1.1432 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.3459 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2296 3.2344 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -2.5405 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -2.7183 2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 -3.3305 0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 3.0458 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$