HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Cyanidin-3-(feruoyl)-triglucosides-5-glucoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 16.548 -15.315 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 16.548 -16.855 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 15.215 -14.545 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 15.215 -17.625 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 13.881 -15.315 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 13.881 -16.855 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 17.882 -17.625 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 15.214 -19.165 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 19.201 -10.695 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 19.201 -12.235 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 17.867 -9.925 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 17.867 -13.005 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 16.533 -10.695 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 16.533 -12.235 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 20.534 -9.925 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 20.534 -13.005 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 17.867 -14.545 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 15.200 -13.005 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 8.164 -12.349 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 8.164 -13.889 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 6.830 -11.579 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 6.830 -14.659 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 5.497 -12.349 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.497 -13.889 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 10.870 -7.669 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 10.870 -9.209 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 9.536 -6.899 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 9.536 -9.979 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 8.203 -7.669 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.203 -9.209 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 12.204 -6.899 0.000 0.00 0.00 O+1 HETATM 32 C UNK 0 13.537 -7.669 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 12.204 -9.979 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 13.537 -9.209 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 14.871 -6.899 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 14.871 -5.359 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 16.205 -7.669 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 16.205 -4.589 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 17.539 -6.899 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 17.539 -5.359 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 18.873 -4.589 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 9.536 -11.519 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 6.869 -6.899 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 14.872 -9.953 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 6.830 -10.039 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 4.163 -11.579 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 4.163 -14.659 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 6.830 -16.199 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 5.496 -16.968 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 21.868 -10.695 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 12.547 -14.545 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 12.547 -17.625 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 19.216 -16.855 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 12.547 -19.165 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 13.881 -19.935 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 13.881 -21.475 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 12.547 -22.245 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 11.214 -19.935 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 11.214 -21.475 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 9.880 -19.165 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 9.880 -22.245 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 12.547 -23.785 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 15.215 -22.245 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 16.549 -21.475 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 16.205 -3.049 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 23.202 -9.925 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 24.535 -10.695 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 23.202 -8.385 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 25.869 -9.925 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 27.203 -10.695 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 28.536 -9.925 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 29.870 -10.695 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 29.870 -12.235 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 28.536 -13.005 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 27.203 -12.235 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 28.536 -8.385 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 31.204 -9.925 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 29.870 -7.615 0.000 0.00 0.00 C+0 CONECT 1 2 3 CONECT 2 1 4 7 CONECT 3 1 5 18 CONECT 4 2 6 8 CONECT 5 3 6 51 CONECT 6 4 5 52 CONECT 7 2 53 CONECT 8 4 CONECT 9 10 11 15 CONECT 10 9 12 16 CONECT 11 9 13 CONECT 12 10 14 17 CONECT 13 11 14 44 CONECT 14 12 13 18 CONECT 15 9 50 CONECT 16 10 CONECT 17 12 CONECT 18 14 3 CONECT 19 20 21 42 CONECT 20 19 22 CONECT 21 19 23 45 CONECT 22 20 24 48 CONECT 23 21 24 46 CONECT 24 22 23 47 CONECT 25 27 31 26 CONECT 26 28 25 33 CONECT 27 25 29 CONECT 28 26 30 42 CONECT 29 27 30 43 CONECT 30 28 29 CONECT 31 25 32 CONECT 32 31 34 35 CONECT 33 26 34 CONECT 34 32 33 44 CONECT 35 36 37 32 CONECT 36 35 38 CONECT 37 35 39 CONECT 38 36 40 65 CONECT 39 37 40 CONECT 40 38 39 41 CONECT 41 40 CONECT 42 28 19 CONECT 43 29 CONECT 44 34 13 CONECT 45 21 CONECT 46 23 CONECT 47 24 CONECT 48 22 49 CONECT 49 48 CONECT 50 15 66 CONECT 51 5 CONECT 52 6 54 CONECT 53 7 CONECT 54 52 55 58 CONECT 55 56 54 CONECT 56 55 57 63 CONECT 57 56 59 62 CONECT 58 54 59 60 CONECT 59 57 58 61 CONECT 60 58 CONECT 61 59 CONECT 62 57 CONECT 63 56 64 CONECT 64 63 CONECT 65 38 CONECT 66 50 67 68 CONECT 67 66 69 CONECT 68 66 CONECT 69 67 70 CONECT 70 69 71 75 CONECT 71 72 70 76 CONECT 72 73 71 77 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 70 CONECT 76 71 78 CONECT 77 72 CONECT 78 76 MASTER 0 0 0 0 0 0 0 0 78 0 170 0 END