HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Delphinidin 3-O-feruloyl-glucoside 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 O UNK 0 5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 4.001 -11.550 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 2.667 -12.320 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.667 -13.860 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.001 -14.630 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.001 -16.170 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 5.335 -16.940 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 5.335 -18.480 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.667 -16.940 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 2.667 -18.480 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 1.334 -16.170 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 1.334 -14.630 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 1.334 -5.390 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 -1.334 -3.850 0.000 0.00 0.00 H+0 HETATM 21 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 2.667 0.000 0.000 0.00 0.00 O+1 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 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 8.002 0.000 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -4.001 -0.770 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -4.001 2.310 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.334 3.850 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 -2.667 -6.160 0.000 0.00 0.00 H+0 HETATM 45 O UNK 0 -2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 -1.334 -8.470 0.000 0.00 0.00 H+0 HETATM 48 O UNK 0 -2.667 -7.700 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 0.000 -7.700 0.000 0.00 0.00 C+0 HETATM 50 H UNK 0 0.000 -6.160 0.000 0.00 0.00 H+0 HETATM 51 O UNK 0 0.000 -9.240 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 18 49 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 17 CONECT 10 9 11 CONECT 11 10 12 14 CONECT 12 11 13 CONECT 13 12 CONECT 14 11 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 9 CONECT 18 2 19 CONECT 19 18 20 21 43 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 33 CONECT 23 22 24 34 CONECT 24 23 25 CONECT 25 24 26 32 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 25 33 CONECT 33 32 22 CONECT 34 23 35 42 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 34 CONECT 43 19 44 45 46 CONECT 44 43 CONECT 45 43 CONECT 46 43 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 46 2 50 51 CONECT 50 49 CONECT 51 49 MASTER 0 0 0 0 0 0 0 0 51 0 110 0 END