HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Glycyrrhetinic acid 3-O-sulfate-30-glucuronide SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 17.909 -27.316 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 16.575 -28.086 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 16.575 -29.625 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 17.909 -30.394 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 19.243 -29.625 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 20.662 -30.394 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 21.996 -29.625 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 21.996 -28.086 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 20.662 -27.316 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 19.243 -28.086 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 20.662 -25.777 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 21.996 -25.008 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 23.415 -25.777 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 23.415 -27.316 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 24.749 -28.086 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 26.083 -27.316 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 26.083 -25.777 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 24.749 -25.008 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 24.749 -23.468 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 26.083 -22.699 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 27.502 -23.468 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 27.502 -25.008 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 16.934 -31.677 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 18.764 -31.660 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 19.243 -26.547 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 22.011 -26.632 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 23.431 -28.924 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 26.100 -24.238 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 25.176 -21.450 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 26.989 -21.468 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 19.243 -30.873 0.000 0.00 0.00 H+0 HETATM 32 H UNK 0 20.662 -28.564 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 24.749 -26.256 0.000 0.00 0.00 H+0 HETATM 34 O UNK 0 28.341 -21.304 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 19.335 -25.080 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 15.207 -30.398 0.000 0.00 0.00 O+0 HETATM 37 S UNK 0 13.870 -31.170 0.000 0.00 0.00 S+0 HETATM 38 O UNK 0 13.281 -29.747 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 14.640 -32.504 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 12.537 -31.940 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 25.204 -19.333 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 23.691 -19.043 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 24.065 -18.296 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 22.197 -19.417 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 22.571 -18.669 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 21.058 -18.380 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 23.734 -20.582 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 21.799 -20.904 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 19.725 -17.610 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 22.104 -17.202 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 20.599 -16.873 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 23.193 -16.113 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 26.581 -20.021 0.000 0.00 0.00 O+0 CONECT 1 10 2 CONECT 2 1 3 CONECT 3 4 2 36 CONECT 4 5 3 23 24 CONECT 5 10 4 6 31 CONECT 6 5 7 CONECT 7 8 6 CONECT 8 9 7 14 26 CONECT 9 10 11 8 32 CONECT 10 1 9 5 25 CONECT 11 9 12 35 CONECT 12 11 13 CONECT 13 12 14 18 CONECT 14 8 15 13 27 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 22 28 CONECT 18 13 19 17 33 CONECT 19 18 20 CONECT 20 19 21 30 29 CONECT 21 20 22 CONECT 22 17 21 CONECT 23 4 CONECT 24 4 CONECT 25 10 CONECT 26 8 CONECT 27 14 CONECT 28 17 CONECT 29 20 CONECT 30 20 34 53 CONECT 31 5 CONECT 32 9 CONECT 33 18 CONECT 34 30 CONECT 35 11 CONECT 36 3 37 CONECT 37 36 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 42 43 53 CONECT 42 44 41 47 CONECT 43 45 41 CONECT 44 46 42 48 CONECT 45 43 46 50 CONECT 46 45 44 49 CONECT 47 42 CONECT 48 44 CONECT 49 46 CONECT 50 45 51 52 CONECT 51 50 CONECT 52 50 CONECT 53 30 41 MASTER 0 0 0 0 0 0 0 0 53 0 116 0 END