HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Oleanolic acid 3-glucuronide SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 -5.017 -1.493 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.350 -2.263 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.349 -4.573 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.016 -3.803 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.016 0.817 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.349 0.047 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.318 0.047 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 1.652 -2.263 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.985 -1.493 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.652 2.357 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.319 0.817 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 4.319 2.357 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.350 -3.803 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.787 -6.140 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.017 -4.573 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.305 -6.140 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.755 4.460 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.985 3.127 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.215 4.460 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.683 -2.263 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.683 -0.723 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.016 -2.263 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.016 -0.723 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.318 -1.493 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 0.318 -3.033 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.683 -3.803 0.000 0.00 0.00 C+0 HETATM 27 H UNK 0 -3.683 -5.343 0.000 0.00 0.00 H+0 HETATM 28 C UNK 0 -2.349 -1.493 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 -2.349 -3.033 0.000 0.00 0.00 H+0 HETATM 30 C UNK 0 1.652 0.817 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 1.652 -0.723 0.000 0.00 0.00 H+0 HETATM 32 C UNK 0 2.985 0.047 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 5.653 0.047 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 4.319 -0.723 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 4.319 -2.263 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -7.684 -4.573 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -9.018 -5.343 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -10.351 -4.573 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -9.018 -6.883 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -7.684 -7.653 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -11.685 -6.883 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -13.019 -7.653 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 -11.685 -5.343 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -10.351 -7.653 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -10.351 -9.193 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -14.352 -5.343 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -13.019 -4.573 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -13.019 -3.033 0.000 0.00 0.00 O+0 CONECT 1 2 20 CONECT 2 1 13 CONECT 3 26 4 CONECT 4 3 22 CONECT 5 6 7 CONECT 6 28 5 CONECT 7 5 30 24 CONECT 8 24 9 CONECT 9 8 32 CONECT 10 30 18 CONECT 11 32 12 CONECT 12 18 11 CONECT 13 2 15 36 CONECT 14 15 CONECT 15 13 26 14 16 CONECT 16 15 CONECT 17 18 CONECT 18 10 12 17 19 CONECT 19 18 CONECT 20 1 28 26 21 CONECT 21 20 CONECT 22 4 24 28 23 CONECT 23 22 CONECT 24 22 7 8 25 CONECT 25 24 CONECT 26 15 20 3 27 CONECT 27 26 CONECT 28 20 22 6 29 CONECT 29 28 CONECT 30 7 32 10 31 CONECT 31 30 CONECT 32 9 11 30 34 CONECT 33 34 CONECT 34 32 33 35 CONECT 35 34 CONECT 36 13 37 CONECT 37 36 39 38 CONECT 38 37 43 CONECT 39 37 44 40 CONECT 40 39 CONECT 41 43 44 42 CONECT 42 41 CONECT 43 38 41 47 CONECT 44 41 39 45 CONECT 45 44 CONECT 46 47 CONECT 47 43 46 48 CONECT 48 47 MASTER 0 0 0 0 0 0 0 0 48 0 106 0 END