HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: 17-decarboxy-isobetanin SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 40.003 -11.013 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 41.335 -10.234 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 41.327 -8.698 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 39.988 -7.931 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 38.656 -8.710 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 38.661 -10.257 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 33.229 -23.359 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 34.542 -24.123 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 35.889 -23.367 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 35.896 -21.827 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 34.563 -21.056 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 33.224 -21.823 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 37.220 -24.130 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 37.212 -25.674 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 38.557 -23.361 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 34.566 -19.513 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 35.653 -18.410 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 35.645 -16.866 0.000 0.00 0.00 N+1 HETATM 19 C UNK 0 34.857 -14.489 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 34.450 -15.959 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 36.400 -14.481 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 36.874 -15.941 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 38.368 -16.259 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 39.398 -15.122 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 38.923 -13.661 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 37.419 -13.338 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 40.938 -15.121 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 40.011 -12.556 0.000 0.00 0.00 O+0 HETATM 29 H UNK 0 33.752 -18.924 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 34.535 -25.593 0.000 0.00 0.00 H+0 HETATM 31 O UNK 0 42.668 -11.005 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 39.979 -6.383 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 37.314 -7.934 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 42.653 -7.919 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 37.306 -6.391 0.000 0.00 0.00 O+0 HETATM 36 H UNK 0 37.118 -22.462 0.000 0.00 0.00 H+0 HETATM 37 C UNK 0 32.991 -16.451 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 32.688 -17.962 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 31.834 -15.434 0.000 0.00 0.00 O+0 HETATM 40 H UNK 0 33.289 -14.327 0.000 0.00 0.00 H+0 CONECT 1 2 6 28 CONECT 2 1 3 31 CONECT 3 2 4 34 CONECT 4 32 3 5 CONECT 5 6 33 4 CONECT 6 5 1 CONECT 7 12 8 CONECT 8 9 7 30 CONECT 9 8 10 13 36 CONECT 10 9 11 CONECT 11 10 12 16 CONECT 12 7 11 CONECT 13 9 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 29 11 17 CONECT 17 18 16 CONECT 18 17 22 20 CONECT 19 21 20 CONECT 20 19 18 37 40 CONECT 21 19 22 26 CONECT 22 18 21 23 CONECT 23 22 24 CONECT 24 23 25 27 CONECT 25 24 26 28 CONECT 26 21 25 CONECT 27 24 CONECT 28 25 1 CONECT 29 16 CONECT 30 8 CONECT 31 2 CONECT 32 4 CONECT 33 5 35 CONECT 34 3 CONECT 35 33 CONECT 36 9 CONECT 37 38 39 20 CONECT 38 37 CONECT 39 37 CONECT 40 20 MASTER 0 0 0 0 0 0 0 0 40 0 86 0 END