HEADER PROTEIN 22-MAR-23 NONE TITLE NULL COMPND MOLECULE: Hesperetin 3',7-O-diglucuronide SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-MAR-23 0 HETATM 1 O UNK 0 2.651 1.567 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 1.317 0.797 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.016 1.567 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.350 0.797 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.350 -0.743 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.016 -1.513 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.317 -0.743 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 2.651 -1.513 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.683 -1.513 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.683 -3.053 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.017 -3.823 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -4.017 -5.363 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -5.351 -3.053 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.351 -1.513 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.017 -0.743 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -6.685 -0.743 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -8.018 -1.513 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -9.352 -0.743 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -8.018 -3.053 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -6.685 -3.823 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -6.685 -5.363 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 -12.019 -0.743 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -13.353 -1.513 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -13.353 -3.053 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -12.019 -3.823 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -10.685 -3.053 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -10.685 -1.513 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -9.352 -3.823 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 -12.019 -5.363 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 -14.687 -3.823 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -14.687 -0.743 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -14.687 0.797 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 -16.020 -1.513 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 2.651 -3.053 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 3.899 3.559 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 5.232 4.329 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 6.566 3.559 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 6.566 2.019 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 5.232 1.249 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 3.899 2.019 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 5.232 -0.291 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 7.900 1.249 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 7.900 4.329 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 5.232 5.869 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 6.566 6.639 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 3.899 6.639 0.000 0.00 0.00 O+0 CONECT 1 2 40 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 9 CONECT 6 5 7 CONECT 7 6 2 8 CONECT 8 7 34 CONECT 9 5 10 15 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 20 CONECT 14 13 15 16 CONECT 15 14 9 CONECT 16 14 17 CONECT 17 16 18 19 CONECT 18 17 27 CONECT 19 17 20 CONECT 20 19 13 21 CONECT 21 20 CONECT 22 23 27 CONECT 23 22 24 31 CONECT 24 23 25 30 CONECT 25 24 26 29 CONECT 26 25 27 28 CONECT 27 26 22 18 CONECT 28 26 CONECT 29 25 CONECT 30 24 CONECT 31 32 33 23 CONECT 32 31 CONECT 33 31 CONECT 34 8 CONECT 35 36 40 CONECT 36 35 37 44 CONECT 37 36 38 43 CONECT 38 37 39 42 CONECT 39 38 40 41 CONECT 40 39 35 1 CONECT 41 39 CONECT 42 38 CONECT 43 37 CONECT 44 45 46 36 CONECT 45 44 CONECT 46 44 MASTER 0 0 0 0 0 0 0 0 46 0 100 0 END