HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Malvidin 3-O-(6"-acetyl-galactoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 H UNK 0 -1.334 -8.470 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -2.667 -9.240 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.001 -11.550 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 -1.334 -5.390 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 2.667 0.000 0.000 0.00 0.00 O+1 HETATM 14 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 8.002 0.000 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.001 -0.770 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.335 0.000 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -4.001 2.310 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -1.334 3.850 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 2.667 -6.160 0.000 0.00 0.00 H+0 HETATM 36 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 1.334 -8.470 0.000 0.00 0.00 H+0 HETATM 39 O UNK 0 2.667 -7.700 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 0.000 -7.700 0.000 0.00 0.00 C+0 HETATM 41 H UNK 0 0.000 -6.160 0.000 0.00 0.00 H+0 HETATM 42 O UNK 0 0.000 -9.240 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 8 40 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 CONECT 8 2 9 CONECT 9 8 10 34 CONECT 10 9 11 CONECT 11 10 12 22 CONECT 12 11 13 23 CONECT 13 12 14 CONECT 14 13 15 21 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 14 22 CONECT 22 21 11 CONECT 23 12 24 33 CONECT 24 23 25 CONECT 25 24 26 28 CONECT 26 25 27 CONECT 27 26 CONECT 28 25 29 30 CONECT 29 28 CONECT 30 28 31 33 CONECT 31 30 32 CONECT 32 31 CONECT 33 30 23 CONECT 34 9 35 36 37 CONECT 35 34 CONECT 36 34 CONECT 37 34 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 2 41 42 CONECT 41 40 CONECT 42 40 MASTER 0 0 0 0 0 0 0 0 42 0 90 0 END