3,5-Dicaffeoylquinic acid Mrv2104 06072104232D 37 39 0 0 1 0 999 V2000 2.6542 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5121 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5121 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -3.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 9 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 27 34 1 0 0 0 0 18 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 3 4 1 0 0 0 0 21 22 1 0 0 0 0 M END