HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: pedunculagin.cdx SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 23.502 -22.488 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 24.417 -23.727 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 25.947 -23.554 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 26.562 -22.142 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 25.648 -20.903 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 24.118 -21.076 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 26.263 -19.492 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 27.794 -19.319 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 28.409 -17.907 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 27.494 -16.669 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 25.964 -16.841 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 25.349 -18.253 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 25.049 -15.603 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 23.818 -18.426 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 28.110 -15.257 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 22.913 -20.116 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 21.972 -22.661 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 23.801 -25.138 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 35.011 -23.540 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 34.096 -22.301 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 32.660 -22.856 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 31.144 -22.634 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 32.059 -23.873 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 33.496 -23.319 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 32.097 -21.423 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 30.574 -21.194 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 29.905 -23.549 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 30.899 -24.225 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 33.669 -24.849 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 28.093 -28.657 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 29.008 -29.896 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 30.538 -29.723 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 31.154 -28.311 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 30.239 -27.072 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 28.709 -27.245 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 32.684 -28.139 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 33.599 -29.377 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 35.129 -29.205 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 35.744 -27.793 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 34.830 -26.554 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 33.299 -26.727 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 37.275 -27.620 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 36.044 -30.443 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 33.369 -30.900 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 31.101 -31.156 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 28.392 -31.307 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 26.563 -28.830 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 30.854 -25.661 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 33.289 -25.865 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 28.232 -20.778 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 27.273 -21.982 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 27.624 -23.198 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 26.807 -24.307 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 31.815 -25.411 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 32.059 -26.621 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 36.551 -23.540 0.000 0.00 0.00 C+0 CONECT 1 2 6 17 CONECT 2 1 3 18 CONECT 3 2 4 CONECT 4 3 5 52 CONECT 5 4 6 7 CONECT 6 5 1 16 CONECT 7 5 8 12 CONECT 8 7 9 50 CONECT 9 8 10 CONECT 10 9 11 15 CONECT 11 10 12 13 CONECT 12 11 7 14 CONECT 13 11 CONECT 14 12 CONECT 15 10 CONECT 16 6 CONECT 17 1 CONECT 18 2 CONECT 19 20 24 56 CONECT 20 19 21 CONECT 21 20 22 25 CONECT 22 21 23 27 CONECT 23 22 24 28 CONECT 24 23 19 29 CONECT 25 21 26 CONECT 26 25 50 CONECT 27 22 52 CONECT 28 23 48 CONECT 29 24 49 CONECT 30 31 35 47 CONECT 31 30 32 46 CONECT 32 31 33 45 CONECT 33 32 34 36 CONECT 34 33 35 48 CONECT 35 34 30 CONECT 36 33 37 41 CONECT 37 36 38 44 CONECT 38 37 39 43 CONECT 39 38 40 42 CONECT 40 39 41 CONECT 41 40 36 49 CONECT 42 39 CONECT 43 38 CONECT 44 37 CONECT 45 32 CONECT 46 31 CONECT 47 30 CONECT 48 34 55 28 CONECT 49 41 54 29 CONECT 50 8 51 26 CONECT 51 50 CONECT 52 4 53 27 CONECT 53 52 CONECT 54 49 CONECT 55 48 CONECT 56 19 MASTER 0 0 0 0 0 0 0 0 56 0 124 0 END