HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Peonidin 3-O-(6''-acetyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 H UNK 0 -4.001 -8.470 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -6.668 -10.010 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.668 -11.550 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -8.002 -9.240 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 -1.334 -3.850 0.000 0.00 0.00 H+0 HETATM 11 O UNK 0 -2.667 -3.080 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 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 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 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 5.335 0.000 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+1 HETATM 23 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.335 0.000 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -6.668 -0.770 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.335 1.540 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -6.668 2.310 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 0.000 -6.160 0.000 0.00 0.00 H+0 HETATM 35 O UNK 0 0.000 -4.620 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 37 H UNK 0 -1.334 -8.470 0.000 0.00 0.00 H+0 HETATM 38 O UNK 0 0.000 -7.700 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 -2.667 -6.160 0.000 0.00 0.00 H+0 HETATM 41 O UNK 0 -2.667 -9.240 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 8 39 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 11 33 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 23 CONECT 13 12 14 CONECT 14 13 15 20 CONECT 15 14 16 22 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 14 21 CONECT 21 20 CONECT 22 15 23 CONECT 23 22 12 24 CONECT 24 23 25 32 CONECT 25 24 26 CONECT 26 25 27 29 CONECT 27 26 28 CONECT 28 27 CONECT 29 26 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 24 CONECT 33 9 34 35 36 CONECT 34 33 CONECT 35 33 CONECT 36 33 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36 2 40 41 CONECT 40 39 CONECT 41 39 MASTER 0 0 0 0 0 0 0 0 41 0 88 0 END