HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 3,5-Dicaffeoylquinic acid SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 4.955 -11.550 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 4.955 -10.010 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 6.288 -9.240 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 7.622 -10.010 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 8.956 -9.240 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 8.956 -7.700 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 10.289 -10.010 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 10.289 -11.550 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 11.623 -12.320 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 11.623 -13.860 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 12.957 -14.630 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 12.957 -16.170 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 14.290 -13.860 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 15.624 -14.630 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 14.290 -12.320 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 12.957 -11.550 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.288 -7.700 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 4.955 -6.930 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 5.944 -5.750 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 3.621 -7.700 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 3.621 -9.240 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 2.287 -10.010 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 0.953 -9.240 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 0.953 -7.700 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.380 -10.010 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.714 -9.240 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.048 -10.010 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.381 -9.240 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.715 -10.010 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -7.049 -9.240 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -5.715 -11.550 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -7.049 -12.320 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -4.381 -12.320 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.048 -11.550 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 3.965 -5.750 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 2.448 -6.018 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 4.491 -4.303 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 21 CONECT 3 2 17 4 CONECT 4 5 3 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 CONECT 9 8 10 16 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 9 CONECT 17 3 18 CONECT 18 17 19 20 35 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 2 22 CONECT 22 23 21 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 CONECT 27 26 28 34 CONECT 28 27 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 27 CONECT 35 18 36 37 CONECT 36 35 CONECT 37 35 MASTER 0 0 0 0 0 0 0 0 37 0 78 0 END