HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Peonidin 3-rutinoside SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 10.958 -0.531 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 9.625 -4.381 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 6.957 -4.381 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 12.292 -4.381 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 14.959 -2.841 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 12.292 1.779 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 14.959 0.239 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 9.625 -7.461 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 6.957 -9.001 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 4.290 -7.461 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 9.625 4.859 0.000 0.00 0.00 O+1 HETATM 12 O UNK 0 6.932 0.185 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 4.188 4.896 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 16.293 7.169 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 10.958 -2.071 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 12.292 -2.841 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.626 -2.071 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 13.626 -0.531 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 8.291 -6.691 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 8.291 -5.151 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 6.957 -7.461 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 5.624 -6.691 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 12.292 0.239 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 9.625 -2.841 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.624 -5.151 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 4.290 -4.381 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 10.958 2.549 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 10.958 4.089 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 9.625 1.779 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.291 2.549 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 12.292 4.859 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 8.291 4.089 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 6.914 1.725 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 6.914 4.912 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 12.292 6.399 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 13.626 4.089 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 5.519 2.517 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 5.519 4.121 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 13.626 7.169 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 14.959 4.859 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 14.959 6.399 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 9.625 0.824 0.000 0.00 0.00 H+0 HETATM 43 O UNK 0 16.293 4.089 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 17.627 4.859 0.000 0.00 0.00 C+0 CONECT 1 15 23 CONECT 2 20 24 CONECT 3 20 25 CONECT 4 16 CONECT 5 17 CONECT 6 23 27 CONECT 7 18 CONECT 8 19 CONECT 9 21 CONECT 10 22 CONECT 11 28 32 CONECT 12 33 CONECT 13 38 CONECT 14 41 CONECT 15 1 16 24 CONECT 16 4 15 17 CONECT 17 5 16 18 CONECT 18 7 17 23 CONECT 19 8 20 21 CONECT 20 2 3 19 CONECT 21 9 19 22 CONECT 22 10 21 25 CONECT 23 1 6 18 CONECT 24 2 15 CONECT 25 3 22 26 CONECT 26 25 CONECT 27 6 28 29 CONECT 28 11 27 31 CONECT 29 27 30 42 CONECT 30 29 32 33 CONECT 31 28 35 36 CONECT 32 11 30 34 CONECT 33 12 30 37 CONECT 34 32 38 CONECT 35 31 39 CONECT 36 31 40 CONECT 37 33 38 CONECT 38 13 34 37 CONECT 39 35 41 CONECT 40 36 41 43 CONECT 41 14 39 40 CONECT 42 29 CONECT 43 40 44 CONECT 44 43 MASTER 0 0 0 0 0 0 0 0 44 0 96 0 END