HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Cyanidin 3-(feruloyl)glucoside-5-glucoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 8.549 -13.746 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 8.549 -15.286 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 7.215 -12.976 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 7.215 -16.056 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.881 -13.746 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.881 -15.286 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 9.883 -16.056 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 7.215 -17.596 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 4.548 -16.056 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 4.548 -12.976 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 3.214 -13.746 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 11.255 -9.095 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 11.255 -10.635 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 9.921 -8.325 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 9.921 -11.405 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.588 -9.095 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.588 -10.635 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 12.589 -8.325 0.000 0.00 0.00 O+1 HETATM 19 C UNK 0 13.923 -9.095 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 12.589 -11.405 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 13.922 -10.635 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 15.256 -8.325 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 15.256 -6.785 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 16.590 -9.095 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 16.590 -6.015 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 17.924 -8.325 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 17.924 -6.785 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 19.257 -6.015 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 9.921 -12.945 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 7.254 -8.325 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 15.257 -11.379 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 15.257 -12.919 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 16.591 -13.689 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 16.591 -15.229 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 15.257 -15.999 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 13.924 -13.689 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 13.924 -15.229 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 12.590 -12.919 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 12.590 -15.999 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 15.257 -17.539 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 17.925 -15.999 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 19.258 -15.229 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 20.628 -15.970 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 21.962 -15.200 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 23.296 -15.970 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 24.629 -15.200 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 25.963 -15.970 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 27.297 -13.660 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 27.297 -15.200 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 25.963 -12.890 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 24.629 -13.660 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 28.630 -12.890 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 25.963 -11.350 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 27.297 -10.580 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 20.628 -17.510 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 19.257 -9.095 0.000 0.00 0.00 O+0 CONECT 1 2 3 29 CONECT 2 1 4 7 CONECT 3 1 5 CONECT 4 2 6 8 CONECT 5 3 6 10 CONECT 6 4 5 9 CONECT 7 2 CONECT 8 4 CONECT 9 6 CONECT 10 5 11 CONECT 11 10 CONECT 12 14 18 13 CONECT 13 15 12 20 CONECT 14 12 16 CONECT 15 13 17 29 CONECT 16 14 17 30 CONECT 17 15 16 CONECT 18 12 19 CONECT 19 18 21 22 CONECT 20 13 21 CONECT 21 19 20 31 CONECT 22 23 24 19 CONECT 23 22 25 CONECT 24 22 26 CONECT 25 23 27 CONECT 26 24 27 56 CONECT 27 25 26 28 CONECT 28 27 CONECT 29 15 1 CONECT 30 16 CONECT 31 21 32 CONECT 32 33 36 31 CONECT 33 34 32 CONECT 34 33 35 41 CONECT 35 34 37 40 CONECT 36 32 37 38 CONECT 37 35 36 39 CONECT 38 36 CONECT 39 37 CONECT 40 35 CONECT 41 34 42 CONECT 42 41 43 CONECT 43 44 55 42 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 51 CONECT 47 49 46 CONECT 48 49 50 52 CONECT 49 48 47 CONECT 50 48 51 53 CONECT 51 50 46 CONECT 52 48 CONECT 53 50 54 CONECT 54 53 CONECT 55 43 CONECT 56 26 MASTER 0 0 0 0 0 0 0 0 56 0 122 0 END