B8U2RS -OEChem-04022105472D 28 30 0 0 0 0 0 0 0999 V2000 4.6783 -2.8389 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 3.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$