HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 1,2,2'-Triferuloylgentiobiose SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 6.668 -8.718 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 6.668 -10.258 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 5.335 -11.028 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 8.002 -7.948 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 8.002 -6.408 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 9.336 -5.638 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 10.669 -6.408 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 12.003 -5.638 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 13.337 -6.408 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 14.671 -5.638 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 16.004 -6.408 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 16.004 -7.948 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 14.671 -8.718 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 17.338 -8.718 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 17.338 -10.258 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 18.672 -11.028 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 18.672 -12.568 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 20.005 -13.338 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 21.339 -12.568 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 22.673 -13.338 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 21.339 -11.028 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 22.673 -10.258 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 22.673 -8.718 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 20.005 -10.258 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 14.671 -4.098 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 16.004 -3.328 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 16.004 -1.788 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 14.671 -1.018 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 17.338 -1.018 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 18.672 -1.788 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 20.005 -1.018 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 21.339 -1.788 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 22.673 -1.018 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 22.673 0.522 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 24.006 1.292 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 21.339 1.292 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 21.339 2.832 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 20.005 3.602 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 20.005 0.522 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 13.337 -3.328 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 13.337 -1.788 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 12.003 -4.098 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 10.669 -3.328 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 6.668 -5.638 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 6.668 -4.098 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 5.335 -3.328 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 5.335 -1.788 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 4.001 -4.098 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 2.667 -3.328 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 1.334 -4.098 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 0.000 -3.328 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.334 -4.098 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -1.334 -5.638 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -2.667 -6.408 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 0.000 -6.408 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 1.334 -5.638 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 5.335 -6.408 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 4.001 -5.638 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 5.335 -7.948 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 4.001 -8.718 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -2.667 -3.328 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -4.001 -4.098 0.000 0.00 0.00 C+0 CONECT 1 4 59 2 CONECT 2 3 1 CONECT 3 2 CONECT 4 1 5 CONECT 5 4 44 6 CONECT 6 7 5 CONECT 7 6 8 CONECT 8 9 42 7 CONECT 9 8 10 CONECT 10 9 25 11 CONECT 11 12 10 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 CONECT 16 15 17 24 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 24 CONECT 22 21 23 CONECT 23 22 CONECT 24 21 16 CONECT 25 10 40 26 CONECT 26 27 25 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 CONECT 31 30 32 39 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 39 CONECT 37 36 38 CONECT 38 37 CONECT 39 36 31 CONECT 40 25 42 41 CONECT 41 40 CONECT 42 40 8 43 CONECT 43 42 CONECT 44 5 57 45 CONECT 45 46 44 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 CONECT 49 48 50 CONECT 50 49 51 56 CONECT 51 50 52 CONECT 52 51 53 61 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 CONECT 56 55 50 CONECT 57 44 59 58 CONECT 58 57 CONECT 59 57 1 60 CONECT 60 59 CONECT 61 52 62 CONECT 62 61 MASTER 0 0 0 0 0 0 0 0 62 0 132 0 END