HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Delphinidin 3-O-rutinoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 C UNK 0 -6.668 8.470 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -4.001 3.850 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 5.335 1.540 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 2.667 -3.080 0.000 0.00 0.00 O+1 HETATM 22 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 2.667 1.540 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 2.667 4.620 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 0.000 6.160 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -6.668 3.850 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -6.668 2.310 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -8.002 4.620 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -9.336 3.850 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -8.002 6.160 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -9.336 6.930 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 42 CONECT 3 2 4 CONECT 4 3 5 38 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 36 CONECT 8 7 9 CONECT 9 8 10 32 CONECT 10 9 11 CONECT 11 10 12 22 CONECT 12 11 13 CONECT 13 12 14 20 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 13 21 CONECT 21 20 22 CONECT 22 21 11 23 CONECT 23 22 24 31 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 23 CONECT 32 9 33 34 CONECT 33 32 CONECT 34 32 35 36 CONECT 35 34 CONECT 36 34 7 37 CONECT 37 36 CONECT 38 4 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 2 43 CONECT 43 42 MASTER 0 0 0 0 0 0 0 0 43 0 94 0 END