HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Delphinidin 3-O-(6"-malonyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 8.002 1.540 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 10.669 0.000 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 12.003 -2.310 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 13.337 -3.080 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 13.337 -4.620 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 14.671 -2.310 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 16.004 -3.080 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 17.338 -2.310 0.000 0.00 0.00 O-1 HETATM 13 O UNK 0 16.004 -4.620 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 1.334 -2.310 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 4.001 2.310 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 5.335 -7.700 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 2.667 -9.240 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 0.000 -7.700 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 5.335 0.000 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 38 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 14 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 CONECT 14 5 15 CONECT 15 14 16 38 CONECT 16 15 17 CONECT 17 16 18 28 CONECT 18 17 19 29 CONECT 19 18 20 CONECT 20 19 21 27 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 20 28 CONECT 28 27 17 CONECT 29 18 30 37 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 36 37 CONECT 36 35 CONECT 37 35 29 CONECT 38 15 2 39 CONECT 39 38 MASTER 0 0 0 0 0 0 0 0 39 0 84 0 END