HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Malvidin 3-O-(6"-acetyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 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 -6.668 3.850 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -8.002 4.620 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -8.002 6.160 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -9.336 3.850 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -2.667 6.160 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 0.000 4.620 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 0.000 1.540 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 2.667 1.540 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 38 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 38 CONECT 15 14 16 33 CONECT 16 15 17 CONECT 17 16 12 18 CONECT 18 17 19 CONECT 19 18 20 31 CONECT 20 19 21 CONECT 21 20 22 27 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 CONECT 27 21 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 19 32 CONECT 32 31 CONECT 33 15 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 14 MASTER 0 0 0 0 0 0 0 0 38 0 82 0 END