HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Malvidin 3-O-(6"-p-coumaroyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 -8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -6.668 -2.310 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.001 -6.930 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -6.668 -5.390 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+1 HETATM 14 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -2.667 0.000 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -4.001 2.310 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.001 3.850 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -8.002 6.160 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -6.668 8.470 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -8.002 9.240 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.002 10.780 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.336 11.550 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -9.336 13.090 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.002 13.860 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -8.002 15.400 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -6.668 13.090 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.668 11.550 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -2.667 6.160 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 0.000 4.620 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 0.000 1.540 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 2.667 0.000 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 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 10 CONECT 4 3 5 CONECT 5 4 6 12 CONECT 6 5 7 CONECT 7 6 8 10 CONECT 8 7 9 CONECT 9 8 CONECT 10 7 3 11 CONECT 11 10 CONECT 12 5 13 17 CONECT 13 12 14 CONECT 14 13 15 46 CONECT 15 14 16 41 CONECT 16 15 17 CONECT 17 16 12 18 CONECT 18 17 19 CONECT 19 18 20 39 CONECT 20 19 21 CONECT 21 20 22 35 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 CONECT 28 27 29 34 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 28 CONECT 35 21 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 19 40 CONECT 40 39 CONECT 41 15 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 14 MASTER 0 0 0 0 0 0 0 0 46 0 100 0 END