HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Cyanidin 3-(feruloyl)diglucoside-5-glucoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 19.229 -12.334 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 19.229 -13.874 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 17.895 -11.564 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 17.895 -14.644 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 16.562 -12.334 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 16.562 -13.874 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 20.563 -14.644 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 17.895 -16.184 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 15.228 -14.644 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 8.549 -13.746 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.549 -15.286 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 7.215 -12.976 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 7.215 -16.056 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 5.881 -13.746 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 5.881 -15.286 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 9.883 -16.056 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 7.215 -17.596 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 4.548 -16.056 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 4.548 -12.976 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 3.214 -13.746 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 11.255 -9.095 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 11.255 -10.635 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 9.921 -8.325 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 9.921 -11.405 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 8.588 -9.095 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.588 -10.635 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 12.589 -8.325 0.000 0.00 0.00 O+1 HETATM 28 C UNK 0 13.923 -9.095 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 12.589 -11.405 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 13.922 -10.635 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 15.256 -8.325 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 15.256 -6.785 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 16.590 -9.095 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 16.590 -6.015 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 17.924 -8.325 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 17.924 -6.785 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 19.257 -6.015 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 9.921 -12.945 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 7.254 -8.325 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 15.257 -11.379 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 15.228 -16.184 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 16.562 -16.954 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 16.562 -18.494 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 15.228 -19.264 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 13.894 -16.954 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 13.894 -18.494 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 12.561 -16.184 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 12.561 -19.264 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 15.228 -20.804 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 17.896 -19.264 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 19.229 -18.494 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 20.563 -11.564 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 21.897 -12.334 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 20.599 -19.236 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 21.933 -18.466 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 23.266 -19.236 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 24.600 -18.466 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 25.934 -19.236 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 27.267 -16.926 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 27.267 -18.466 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 25.934 -16.156 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 24.600 -16.926 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 28.601 -16.156 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 25.934 -14.616 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 27.267 -13.846 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 20.599 -20.776 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 19.257 -9.095 0.000 0.00 0.00 O+0 CONECT 1 2 3 52 CONECT 2 1 4 7 CONECT 3 1 5 CONECT 4 2 6 8 CONECT 5 3 6 40 CONECT 6 4 5 9 CONECT 7 2 CONECT 8 4 CONECT 9 6 41 CONECT 10 11 12 38 CONECT 11 10 13 16 CONECT 12 10 14 CONECT 13 11 15 17 CONECT 14 12 15 19 CONECT 15 13 14 18 CONECT 16 11 CONECT 17 13 CONECT 18 15 CONECT 19 14 20 CONECT 20 19 CONECT 21 23 27 22 CONECT 22 24 21 29 CONECT 23 21 25 CONECT 24 22 26 38 CONECT 25 23 26 39 CONECT 26 24 25 CONECT 27 21 28 CONECT 28 27 30 31 CONECT 29 22 30 CONECT 30 28 29 40 CONECT 31 32 33 28 CONECT 32 31 34 CONECT 33 31 35 CONECT 34 32 36 CONECT 35 33 36 67 CONECT 36 34 35 37 CONECT 37 36 CONECT 38 24 10 CONECT 39 25 CONECT 40 30 5 CONECT 41 9 42 45 CONECT 42 43 41 CONECT 43 42 44 50 CONECT 44 43 46 49 CONECT 45 41 46 47 CONECT 46 44 45 48 CONECT 47 45 CONECT 48 46 CONECT 49 44 CONECT 50 43 51 CONECT 51 50 54 CONECT 52 1 53 CONECT 53 52 CONECT 54 55 66 51 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 62 CONECT 58 60 57 CONECT 59 60 61 63 CONECT 60 59 58 CONECT 61 59 62 64 CONECT 62 61 57 CONECT 63 59 CONECT 64 61 65 CONECT 65 64 CONECT 66 54 CONECT 67 35 MASTER 0 0 0 0 0 0 0 0 67 0 146 0 END