HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 2,15,17-tridecarboxy-betanin SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 37.704 -24.864 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 39.036 -24.084 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 39.028 -22.549 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 37.689 -21.781 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 36.357 -22.561 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 36.362 -24.108 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 30.930 -37.211 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 32.284 -37.975 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 33.590 -37.219 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 33.596 -35.680 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 32.263 -34.908 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 30.924 -35.675 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 32.266 -33.364 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 33.354 -32.261 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 33.346 -30.718 0.000 0.00 0.00 N+1 HETATM 16 C UNK 0 32.557 -28.340 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 32.150 -29.810 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 34.101 -28.332 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 34.575 -29.793 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 36.069 -30.110 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 37.099 -28.973 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 36.624 -27.513 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 35.120 -27.189 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 38.639 -28.972 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 37.712 -26.407 0.000 0.00 0.00 O+0 HETATM 26 H UNK 0 31.452 -32.776 0.000 0.00 0.00 H+0 HETATM 27 H UNK 0 32.276 -39.528 0.000 0.00 0.00 H+0 HETATM 28 O UNK 0 40.369 -24.856 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 37.680 -20.234 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 35.014 -21.785 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 40.354 -21.769 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 35.006 -20.241 0.000 0.00 0.00 O+0 CONECT 1 2 6 25 CONECT 2 1 3 28 CONECT 3 2 4 31 CONECT 4 29 3 5 CONECT 5 6 30 4 CONECT 6 5 1 CONECT 7 12 8 CONECT 8 9 7 27 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 7 11 CONECT 13 26 11 14 CONECT 14 15 13 CONECT 15 14 19 17 CONECT 16 18 17 CONECT 17 16 15 CONECT 18 16 19 23 CONECT 19 15 18 20 CONECT 20 19 21 CONECT 21 20 22 24 CONECT 22 21 23 25 CONECT 23 18 22 CONECT 24 21 CONECT 25 22 1 CONECT 26 13 CONECT 27 8 CONECT 28 2 CONECT 29 4 CONECT 30 5 32 CONECT 31 3 CONECT 32 30 MASTER 0 0 0 0 0 0 0 0 32 0 70 0 END