HEADER PROTEIN 23-MAY-19 NONE TITLE NULL COMPND MOLECULE: Deoxycholic acid disulfate.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-MAY-19 0 HETATM 1 C UNK 0 -4.585 -3.804 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.585 -2.264 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.252 -1.494 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.252 -4.574 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.918 -3.804 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.584 -4.574 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.749 -3.804 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 0.749 -2.264 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.083 -1.494 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 3.548 -1.970 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.453 -0.724 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 3.548 0.522 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.023 1.987 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 5.544 2.227 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.096 3.665 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 7.617 3.906 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 2.993 3.131 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.083 0.046 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.083 1.586 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 0.749 0.816 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.584 0.046 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.584 -1.494 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.918 -2.264 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.918 -0.724 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 8.169 5.344 0.000 0.00 0.00 O+0 HETATM 26 O UNK 0 8.586 2.709 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 0.749 2.356 0.000 0.00 0.00 O+0 HETATM 28 S UNK 0 -0.584 3.126 0.000 0.00 0.00 S+0 HETATM 29 O UNK 0 0.186 4.460 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 -1.354 1.792 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 -1.918 3.896 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -5.919 -4.574 0.000 0.00 0.00 O+0 HETATM 33 S UNK 0 -7.253 -3.804 0.000 0.00 0.00 S+0 HETATM 34 O UNK 0 -6.483 -2.470 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -8.023 -5.138 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -8.586 -3.034 0.000 0.00 0.00 O+0 HETATM 37 H UNK 0 -1.918 -5.344 0.000 0.00 0.00 H+0 HETATM 38 H UNK 0 -0.584 -3.034 0.000 0.00 0.00 H+0 HETATM 39 H UNK 0 0.749 -0.724 0.000 0.00 0.00 H+0 HETATM 40 H UNK 0 2.083 -3.034 0.000 0.00 0.00 H+0 CONECT 1 2 4 32 CONECT 2 1 3 CONECT 3 2 23 CONECT 4 1 5 CONECT 5 4 6 23 37 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 22 39 CONECT 9 8 10 18 40 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 18 CONECT 13 12 14 17 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 25 26 CONECT 17 13 CONECT 18 12 9 19 20 CONECT 19 18 CONECT 20 18 21 27 CONECT 21 20 22 CONECT 22 21 8 23 38 CONECT 23 22 3 5 24 CONECT 24 23 CONECT 25 16 CONECT 26 16 CONECT 27 28 20 CONECT 28 29 30 31 27 CONECT 29 28 CONECT 30 28 CONECT 31 28 CONECT 32 33 1 CONECT 33 34 35 36 32 CONECT 34 33 CONECT 35 33 CONECT 36 33 CONECT 37 5 CONECT 38 22 CONECT 39 8 CONECT 40 9 MASTER 0 0 0 0 0 0 0 0 40 0 86 0 END