HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Cyanidin 3-diglucoside-5-glucoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 26.335 -12.594 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 26.335 -14.134 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 25.002 -11.824 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 25.002 -14.904 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 23.668 -12.594 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 23.668 -14.134 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 27.669 -14.904 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 25.002 -16.444 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 22.334 -14.904 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 18.361 -9.354 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 18.361 -10.894 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 17.028 -8.584 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 17.028 -11.664 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 15.694 -9.354 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 15.694 -10.894 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 19.695 -8.585 0.000 0.00 0.00 O+1 HETATM 17 C UNK 0 21.029 -9.355 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 19.695 -11.664 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 21.029 -10.894 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 22.362 -8.585 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 22.362 -7.045 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 23.696 -9.355 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 23.696 -6.275 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 25.030 -8.585 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 25.030 -7.045 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 26.364 -6.275 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 17.028 -13.204 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 14.360 -8.584 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 22.364 -11.639 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 22.334 -16.444 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 23.668 -17.214 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 23.668 -18.754 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 22.334 -19.524 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 21.001 -17.214 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 21.001 -18.754 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 19.667 -16.444 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 19.667 -19.524 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 22.334 -21.064 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 25.002 -19.524 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 26.335 -18.754 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 27.669 -11.824 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 29.003 -12.594 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 26.363 -9.355 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 13.023 -14.115 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 13.023 -15.655 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 14.356 -13.345 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 14.356 -16.425 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 15.690 -14.005 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 15.690 -15.655 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 11.689 -16.425 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 14.356 -17.965 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 17.024 -16.425 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 11.689 -13.345 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 10.355 -14.115 0.000 0.00 0.00 O+0 CONECT 1 2 3 41 CONECT 2 1 4 7 CONECT 3 1 5 CONECT 4 2 6 8 CONECT 5 3 6 29 CONECT 6 4 5 9 CONECT 7 2 CONECT 8 4 CONECT 9 6 30 CONECT 10 12 16 11 CONECT 11 13 10 18 CONECT 12 10 14 CONECT 13 11 15 27 CONECT 14 12 15 28 CONECT 15 13 14 CONECT 16 10 17 CONECT 17 16 19 20 CONECT 18 11 19 CONECT 19 17 18 29 CONECT 20 21 22 17 CONECT 21 20 23 CONECT 22 20 24 CONECT 23 21 25 CONECT 24 22 25 43 CONECT 25 23 24 26 CONECT 26 25 CONECT 27 13 48 CONECT 28 14 CONECT 29 19 5 CONECT 30 9 31 34 CONECT 31 32 30 CONECT 32 31 33 39 CONECT 33 32 35 38 CONECT 34 30 35 36 CONECT 35 33 34 37 CONECT 36 34 CONECT 37 35 CONECT 38 33 CONECT 39 32 40 CONECT 40 39 CONECT 41 1 42 CONECT 42 41 CONECT 43 24 CONECT 44 45 46 53 CONECT 45 44 47 50 CONECT 46 44 48 CONECT 47 45 49 51 CONECT 48 46 49 27 CONECT 49 47 48 52 CONECT 50 45 CONECT 51 47 CONECT 52 49 CONECT 53 54 44 CONECT 54 53 MASTER 0 0 0 0 0 0 0 0 54 0 118 0 END