LDOF78 -OEChem-05022321573D 28 27 0 1 0 0 0 0 0999 V2000 0.3197 1.7361 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -2.9385 -0.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 -2.2454 1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 3.5995 -0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 2.1129 1.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -0.1122 -0.0263 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9144 -0.9310 -0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 -0.3835 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -0.7352 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -1.1949 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.3457 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -0.6093 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 -2.0341 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 2.3898 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -0.1171 1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 -0.9321 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -1.9758 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0598 -0.3706 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 0.6548 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 -0.0674 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -0.9175 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 -2.2212 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 -1.2568 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 0.4022 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 -0.5612 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5791 -1.2287 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 -3.7722 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 4.3100 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 1 0 0 0 0 2 27 1 0 0 0 0 3 13 2 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 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 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$