Dicaffeoylquinic acid Mrv2104 06072104242D 37 39 0 0 1 0 999 V2000 3.7561 -5.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.8534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0417 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -3.6159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6127 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -4.8534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8983 -5.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -6.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -6.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1838 -6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5307 -6.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -6.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -6.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -7.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -7.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -7.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -7.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -5.2659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3272 -6.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7508 -2.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 -1.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 -1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 -0.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1154 -2.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -2.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 12 19 1 0 0 0 0 6 20 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 1 0 0 0 4 22 1 1 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 4 35 1 6 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END