HEADER PROTEIN 22-MAR-23 NONE TITLE NULL COMPND MOLECULE: Hesperetin 5,7-O-diglucuronide SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-MAR-23 0 HETATM 1 O UNK 0 3.353 1.272 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 2.020 0.502 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.686 1.272 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.648 0.502 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.648 -1.038 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 0.686 -1.808 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 2.020 -1.038 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.981 -1.808 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.981 -3.348 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.315 -4.118 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.315 -5.658 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -4.649 -3.348 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -4.649 -1.808 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -3.315 -1.038 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.983 -1.038 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -7.316 -1.808 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -8.650 -1.038 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -7.316 -3.348 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.983 -4.118 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -5.983 -5.658 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 -7.316 1.272 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -7.316 2.812 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.650 3.582 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -9.984 2.812 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.984 1.272 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.650 0.502 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -11.317 0.502 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 -11.317 3.582 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 -8.650 5.122 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -5.983 3.582 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.983 5.122 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -4.649 2.812 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 -8.650 -5.658 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -9.984 -6.428 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -9.984 -7.968 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.650 -8.738 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.316 -7.968 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.316 -6.428 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -5.983 -8.738 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -8.650 -10.278 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -11.317 -8.738 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -11.317 -5.658 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -12.651 -6.428 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -11.317 -4.118 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 3.353 -1.808 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 3.353 -3.348 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 8 CONECT 6 5 7 CONECT 7 6 2 45 CONECT 8 5 9 14 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 19 CONECT 13 12 14 15 CONECT 14 13 8 CONECT 15 13 16 CONECT 16 15 17 18 CONECT 17 16 26 CONECT 18 16 19 CONECT 19 18 12 20 CONECT 20 19 38 CONECT 21 22 26 CONECT 22 21 23 30 CONECT 23 22 24 29 CONECT 24 23 25 28 CONECT 25 24 26 27 CONECT 26 17 25 21 CONECT 27 25 CONECT 28 24 CONECT 29 23 CONECT 30 22 31 32 CONECT 31 30 CONECT 32 30 CONECT 33 34 38 CONECT 34 33 35 42 CONECT 35 34 36 41 CONECT 36 35 37 40 CONECT 37 36 38 39 CONECT 38 37 33 20 CONECT 39 37 CONECT 40 36 CONECT 41 35 CONECT 42 34 43 44 CONECT 43 42 CONECT 44 42 CONECT 45 7 46 CONECT 46 45 MASTER 0 0 0 0 0 0 0 0 46 0 100 0 END