BW7J3F -OEChem-04022105213D 28 29 0 0 0 0 0 0 0999 V2000 -4.3577 1.3372 0.4698 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 1.7409 -0.5918 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 1.2167 1.5550 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 -0.4031 0.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3039 1.6168 -0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.8871 0.6499 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 -1.0764 1.7523 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 0.0364 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 -0.7620 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 1.1494 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -0.0770 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -0.1874 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -2.1125 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 1.8207 -1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.9630 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -2.8882 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -2.3135 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 0.9777 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 0.8614 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -2.5779 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 2.4251 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 2.4505 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 1.0908 -2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 2.4587 -2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3131 -3.9394 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 -2.9228 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -1.7889 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 -1.1554 2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 6 11 2 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$