HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Delphinidin 3-O-xyloside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 H UNK 0 -0.071 -8.362 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -0.770 -6.990 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.675 -8.236 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.049 -9.643 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 -1.246 -5.525 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 7 H UNK 0 1.372 -3.921 0.000 0.00 0.00 H+0 HETATM 8 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 2.667 0.000 0.000 0.00 0.00 O+1 HETATM 12 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 8.002 0.000 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 5.335 -4.620 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 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -4.001 -0.770 0.000 0.00 0.00 O+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 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -1.334 3.850 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.246 -5.525 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 2.335 -6.614 0.000 0.00 0.00 H+0 HETATM 32 O UNK 0 2.711 -5.049 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 0.770 -6.990 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 -0.135 -5.744 0.000 0.00 0.00 H+0 HETATM 35 O UNK 0 1.675 -8.236 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 5 33 CONECT 3 2 4 CONECT 4 3 CONECT 5 2 6 CONECT 6 5 7 8 30 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 20 CONECT 10 9 11 21 CONECT 11 10 12 CONECT 12 11 13 19 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 12 20 CONECT 20 19 9 CONECT 21 10 22 29 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 25 28 29 CONECT 28 27 CONECT 29 27 21 CONECT 30 6 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 2 34 35 CONECT 34 33 CONECT 35 33 MASTER 0 0 0 0 0 0 0 0 35 0 76 0 END