D0JB4G -OEChem-10101305032D 28 27 0 0 0 0 0 0 0999 V2000 8.9942 1.2554 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.2621 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.2313 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 1.7588 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.7313 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4976 0.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 2.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -0.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -2.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 5 27 1 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 8 -1 M END $$$$