8-O-4-Diferulic acid Mrv2104 06072104242D 28 29 0 0 0 0 999 V2000 6.6994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4139 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8428 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -1.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2503 -3.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 -4.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 3 2 1 0 0 0 0 9 2 1 0 0 0 0 4 3 2 0 0 0 0 8 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 10 9 1 0 0 0 0 1 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 17 16 1 0 0 0 0 23 16 1 0 0 0 0 18 17 2 0 0 0 0 22 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 24 23 1 0 0 0 0 15 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 25 8 1 0 0 0 0 M END