HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 3,4-Diferuloylquinic acid SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 4.001 -12.544 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 4.001 -14.084 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 5.335 -11.774 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.335 -10.234 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 6.851 -10.501 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 4.001 -9.464 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 2.667 -10.234 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 1.334 -9.464 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 1.334 -7.924 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 2.667 -7.154 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 0.000 -7.154 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 0.000 -5.614 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.334 -4.844 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.334 -3.304 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.667 -2.534 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.001 -3.304 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -5.335 -2.534 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -4.001 -4.844 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 -5.335 -5.614 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -5.335 -7.154 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.667 -5.614 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.667 -11.774 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 1.334 -12.544 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 0.000 -11.774 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 0.000 -10.234 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.334 -12.544 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.667 -11.774 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.001 -12.544 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.335 -11.774 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.668 -12.544 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.668 -14.084 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -8.002 -14.854 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -5.335 -14.854 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.001 -14.084 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 5.862 -8.787 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 4.872 -7.607 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 7.378 -8.519 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 -8.002 -11.774 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -9.336 -12.544 0.000 0.00 0.00 C+0 CONECT 1 3 22 2 CONECT 2 1 CONECT 3 1 4 CONECT 4 3 6 35 5 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 22 8 CONECT 8 9 7 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 CONECT 13 12 14 21 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 21 CONECT 19 18 20 CONECT 20 19 CONECT 21 18 13 CONECT 22 7 1 23 CONECT 23 24 22 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 CONECT 28 27 29 34 CONECT 29 28 30 CONECT 30 29 31 38 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 28 CONECT 35 36 37 4 CONECT 36 35 CONECT 37 35 CONECT 38 30 39 CONECT 39 38 MASTER 0 0 0 0 0 0 0 0 39 0 82 0 END