B3MEX5 -OEChem-04022110302D 28 30 0 0 0 0 0 0 0999 V2000 6.4103 -2.1032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7015 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -2.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 0.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1139 -2.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -2.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 19 2 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$