HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Cyanidin 3-0-(6"-caffeoyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 0.000 6.160 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -2.667 6.160 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -4.001 6.930 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -4.001 8.470 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.667 9.240 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.667 10.780 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.001 11.550 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.001 13.090 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -5.335 13.860 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.667 13.860 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -2.667 15.400 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.334 13.090 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.334 11.550 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 5.335 1.540 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 2.667 -3.080 0.000 0.00 0.00 O+1 HETATM 32 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 2.667 1.540 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 2.667 4.620 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 43 CONECT 3 2 4 18 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 CONECT 10 9 11 17 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 10 CONECT 18 3 19 CONECT 19 18 20 41 CONECT 20 19 21 CONECT 21 20 22 32 CONECT 22 21 23 CONECT 23 22 24 30 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 23 31 CONECT 31 30 32 CONECT 32 31 21 33 CONECT 33 32 34 40 CONECT 34 33 35 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 40 CONECT 40 39 33 CONECT 41 19 42 43 CONECT 42 41 CONECT 43 41 2 44 CONECT 44 43 MASTER 0 0 0 0 0 0 0 0 44 0 96 0 END