HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 2-decarboxy-isobetanin SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 38.151 -27.495 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 39.484 -26.716 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 39.475 -25.180 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 38.137 -24.412 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 36.804 -25.192 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 36.809 -26.739 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 31.377 -39.842 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 32.731 -40.647 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 34.037 -39.849 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 34.044 -38.310 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 32.711 -37.539 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 31.372 -38.306 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 30.278 -40.933 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 35.368 -40.613 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 30.676 -42.422 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 28.788 -40.530 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 35.360 -42.157 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 36.706 -39.844 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 32.714 -35.995 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 33.801 -34.892 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 33.793 -33.349 0.000 0.00 0.00 N+1 HETATM 22 C UNK 0 33.005 -30.971 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 32.598 -32.441 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 34.548 -30.963 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 35.022 -32.423 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 36.516 -32.741 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 37.546 -31.604 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 37.071 -30.144 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 35.567 -29.821 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 39.086 -31.603 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 38.159 -29.038 0.000 0.00 0.00 O+0 HETATM 32 H UNK 0 31.899 -35.407 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 32.683 -42.035 0.000 0.00 0.00 H+0 HETATM 34 O UNK 0 40.817 -27.487 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 38.127 -22.865 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 35.461 -24.416 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 40.801 -24.401 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 35.454 -22.873 0.000 0.00 0.00 O+0 HETATM 39 H UNK 0 35.266 -38.945 0.000 0.00 0.00 H+0 CONECT 1 2 6 31 CONECT 2 1 3 34 CONECT 3 2 4 37 CONECT 4 35 3 5 CONECT 5 6 36 4 CONECT 6 5 1 CONECT 7 12 13 8 CONECT 8 9 7 33 CONECT 9 8 10 14 39 CONECT 10 9 11 CONECT 11 10 12 19 CONECT 12 7 11 CONECT 13 7 15 16 CONECT 14 9 17 18 CONECT 15 13 CONECT 16 13 CONECT 17 14 CONECT 18 14 CONECT 19 32 11 20 CONECT 20 21 19 CONECT 21 20 25 23 CONECT 22 24 23 CONECT 23 22 21 CONECT 24 22 25 29 CONECT 25 21 24 26 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 31 CONECT 29 24 28 CONECT 30 27 CONECT 31 28 1 CONECT 32 19 CONECT 33 8 CONECT 34 2 CONECT 35 4 CONECT 36 5 38 CONECT 37 3 CONECT 38 36 CONECT 39 9 MASTER 0 0 0 0 0 0 0 0 39 0 84 0 END