LD3M0I -OEChem-05022322272D 27 28 0 0 0 0 0 0 0999 V2000 4.6783 -2.0886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.6282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -3.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 1.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.6776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 2.5787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 2.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 3.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$