HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Pelargonidin 3-O-(6''-succinyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 H UNK 0 -2.667 -10.780 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.334 -10.010 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 0.000 -9.240 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 0.000 -7.700 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 4.001 -11.550 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 -5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -6.668 -10.010 0.000 0.00 0.00 C+0 HETATM 14 H UNK 0 -8.002 -10.780 0.000 0.00 0.00 H+0 HETATM 15 O UNK 0 -8.002 -9.240 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -9.336 -10.010 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -9.336 -11.550 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -10.669 -12.320 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -10.669 -13.860 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -9.336 -14.630 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -12.003 -14.630 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -13.337 -13.860 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -14.671 -14.630 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -13.337 -12.320 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -12.003 -11.550 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -12.003 -10.010 0.000 0.00 0.00 O+1 HETATM 27 C UNK 0 -10.669 -9.240 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.669 -7.700 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -12.003 -6.930 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -12.003 -5.390 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.669 -4.620 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -10.669 -3.080 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -9.336 -5.390 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -9.336 -6.930 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.668 -11.550 0.000 0.00 0.00 C+0 HETATM 36 H UNK 0 -6.668 -13.090 0.000 0.00 0.00 H+0 HETATM 37 O UNK 0 -8.002 -12.320 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -5.335 -12.320 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 -4.001 -13.090 0.000 0.00 0.00 H+0 HETATM 40 O UNK 0 -5.335 -13.860 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -4.001 -11.550 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 -5.335 -10.780 0.000 0.00 0.00 H+0 HETATM 43 O UNK 0 -2.667 -12.320 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 12 41 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 2 13 CONECT 13 12 14 15 35 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 17 27 CONECT 17 16 18 CONECT 18 17 19 25 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 18 26 CONECT 26 25 27 CONECT 27 26 16 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 13 36 37 38 CONECT 36 35 CONECT 37 35 CONECT 38 35 39 40 41 CONECT 39 38 CONECT 40 38 CONECT 41 38 2 42 43 CONECT 42 41 CONECT 43 41 MASTER 0 0 0 0 0 0 0 0 43 0 92 0 END