HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Glycyrrhetinic acid 30-O-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 O UNK 0 28.341 -21.304 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 19.335 -25.080 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 15.207 -30.398 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 27.181 -21.284 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 25.071 -21.538 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 26.411 -19.950 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 25.534 -19.112 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 24.021 -18.823 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 24.395 -18.076 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 22.527 -19.196 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 22.901 -18.449 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 21.388 -18.160 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 24.065 -20.362 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 22.129 -20.684 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 20.055 -17.390 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 22.434 -16.982 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 20.929 -16.653 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 23.523 -15.893 0.000 0.00 0.00 O+0 CONECT 1 10 2 CONECT 2 1 3 CONECT 3 4 2 31 CONECT 4 5 3 23 24 CONECT 5 10 4 6 CONECT 6 5 7 CONECT 7 8 6 CONECT 8 9 7 14 26 CONECT 9 10 11 8 CONECT 10 1 9 5 25 CONECT 11 9 12 30 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 CONECT 19 18 20 CONECT 20 19 21 32 33 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 32 CONECT 30 11 CONECT 31 3 CONECT 32 20 29 34 CONECT 33 20 CONECT 34 32 35 CONECT 35 36 37 34 CONECT 36 38 35 41 CONECT 37 39 35 CONECT 38 40 36 42 CONECT 39 37 40 44 CONECT 40 39 38 43 CONECT 41 36 CONECT 42 38 CONECT 43 40 CONECT 44 39 45 46 CONECT 45 44 CONECT 46 44 MASTER 0 0 0 0 0 0 0 0 46 0 102 0 END