HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 0.121 -3.569 -2.387 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.773 -2.490 -2.099 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.361 -1.674 -1.082 0.00 0.00 C+0 HETATM 4 O UNK 0 0.664 -1.835 -0.429 0.00 0.00 O+0 HETATM 5 C UNK 0 -1.401 -0.567 -0.836 0.00 0.00 C+0 HETATM 6 N UNK 0 -1.891 0.016 -2.109 0.00 0.00 N+0 HETATM 7 C UNK 0 -0.770 0.434 0.087 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.692 0.422 1.467 0.00 0.00 C+0 HETATM 9 S UNK 0 -1.356 -0.775 2.594 0.00 0.00 S+0 HETATM 10 C UNK 0 0.176 -1.515 3.208 0.00 0.00 C+0 HETATM 11 N UNK 0 -0.027 1.556 1.849 0.00 0.00 N+0 HETATM 12 C UNK 0 0.349 2.264 0.788 0.00 0.00 C+0 HETATM 13 N UNK 0 -0.075 1.611 -0.304 0.00 0.00 N+1 HETATM 14 C UNK 0 0.195 2.056 -1.670 0.00 0.00 C+0 HETATM 15 H UNK 0 1.101 -3.185 -2.686 0.00 0.00 H+0 HETATM 16 H UNK 0 0.211 -4.231 -1.520 0.00 0.00 H+0 HETATM 17 H UNK 0 -0.298 -4.141 -3.219 0.00 0.00 H+0 HETATM 18 H UNK 0 -2.250 -1.035 -0.326 0.00 0.00 H+0 HETATM 19 H UNK 0 -2.133 -0.762 -2.733 0.00 0.00 H+0 HETATM 20 H UNK 0 -2.775 0.496 -1.934 0.00 0.00 H+0 HETATM 21 H UNK 0 0.794 -0.760 3.701 0.00 0.00 H+0 HETATM 22 H UNK 0 0.742 -1.963 2.387 0.00 0.00 H+0 HETATM 23 H UNK 0 -0.065 -2.296 3.933 0.00 0.00 H+0 HETATM 24 H UNK 0 0.147 1.817 2.814 0.00 0.00 H+0 HETATM 25 H UNK 0 0.900 3.197 0.805 0.00 0.00 H+0 HETATM 26 H UNK 0 0.570 1.220 -2.266 0.00 0.00 H+0 HETATM 27 H UNK 0 0.961 2.836 -1.652 0.00 0.00 H+0 HETATM 28 H UNK 0 -0.719 2.470 -2.102 0.00 0.00 H+0 CONECT 1 2 15 16 17 CONECT 2 3 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 7 6 3 18 CONECT 6 5 19 20 CONECT 7 5 13 8 CONECT 8 7 11 9 CONECT 9 8 10 CONECT 10 9 21 22 23 CONECT 11 8 12 24 CONECT 12 13 11 25 CONECT 13 12 7 14 CONECT 14 13 26 27 28 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 18 5 CONECT 19 6 CONECT 20 6 CONECT 21 10 CONECT 22 10 CONECT 23 10 CONECT 24 11 CONECT 25 12 CONECT 26 14 CONECT 27 14 CONECT 28 14 MASTER 0 0 0 0 0 0 0 0 28 0 56 0 END