B7ZC2K -OEChem-04022106403D 27 28 0 0 0 0 0 0 0999 V2000 -3.0584 -1.1369 0.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 1.5984 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -2.5577 0.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 -1.2388 0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 1.3795 -0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -1.2497 0.1877 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 1.4900 -0.2292 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -0.5414 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 0.8341 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6701 -1.2105 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 1.5555 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 -0.4912 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 0.8888 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 -0.6524 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 0.8399 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -1.6336 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 2.1262 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 2.6302 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -2.2484 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 2.4945 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -2.9551 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -2.1230 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 -2.3690 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -0.8139 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 2.6567 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 2.8331 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7733 1.3200 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$