3,4-Dicaffeoylquinic acid Mrv2104 06072104232D 37 39 0 0 1 0 999 V2000 7.4817 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7673 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7673 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 -3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -3.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 13 20 1 0 0 0 0 7 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 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 35 36 1 0 0 0 0 35 37 2 0 0 0 0 4 35 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 11 9 1 0 0 0 0 25 23 1 0 0 0 0 21 22 1 0 0 0 0 M END