HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -0.864 -3.896 -0.689 0.00 0.00 C+0 HETATM 2 S UNK 0 -1.203 -2.883 0.754 0.00 0.00 S+0 HETATM 3 C UNK 0 -0.505 -1.218 0.587 0.00 0.00 C+0 HETATM 4 C UNK 0 0.977 -1.327 0.574 0.00 0.00 C+0 HETATM 5 C UNK 0 1.697 -0.037 0.443 0.00 0.00 C+0 HETATM 6 C UNK 0 1.230 1.247 0.367 0.00 0.00 C+0 HETATM 7 N UNK 0 2.292 2.052 0.259 0.00 0.00 N+0 HETATM 8 C UNK 0 3.408 1.323 0.265 0.00 0.00 C+0 HETATM 9 C UNK 0 4.761 1.670 0.179 0.00 0.00 C+0 HETATM 10 C UNK 0 5.747 0.703 0.208 0.00 0.00 C+0 HETATM 11 C UNK 0 5.404 -0.630 0.324 0.00 0.00 C+0 HETATM 12 C UNK 0 4.075 -0.969 0.408 0.00 0.00 C+0 HETATM 13 C UNK 0 3.082 -0.011 0.380 0.00 0.00 C+0 HETATM 14 N UNK 0 -1.047 -0.392 1.617 0.00 0.00 N+0 HETATM 15 C UNK 0 -2.404 0.048 1.507 0.00 0.00 C+0 HETATM 16 O UNK 0 -3.057 0.327 2.559 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.058 0.184 0.179 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.934 -1.014 -0.152 0.00 0.00 C+0 HETATM 19 S UNK 0 -4.122 1.658 0.122 0.00 0.00 S+0 HETATM 20 C UNK 0 -3.173 3.182 0.244 0.00 0.00 C+0 HETATM 21 N UNK 0 -2.024 0.284 -0.819 0.00 0.00 N+0 HETATM 22 C UNK 0 -2.123 1.274 -1.898 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.916 -0.600 -0.725 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.285 -0.849 -1.794 0.00 0.00 O+0 HETATM 25 H UNK 0 0.195 -4.249 -0.728 0.00 0.00 H+0 HETATM 26 H UNK 0 -1.484 -4.825 -0.596 0.00 0.00 H+0 HETATM 27 H UNK 0 -1.146 -3.374 -1.637 0.00 0.00 H+0 HETATM 28 H UNK 0 1.343 -1.796 1.529 0.00 0.00 H+0 HETATM 29 H UNK 0 1.312 -2.001 -0.241 0.00 0.00 H+0 HETATM 30 H UNK 0 0.174 1.500 0.396 0.00 0.00 H+0 HETATM 31 H UNK 0 2.213 3.106 0.183 0.00 0.00 H+0 HETATM 32 H UNK 0 5.040 2.722 0.087 0.00 0.00 H+0 HETATM 33 H UNK 0 6.760 1.041 0.137 0.00 0.00 H+0 HETATM 34 H UNK 0 6.184 -1.390 0.346 0.00 0.00 H+0 HETATM 35 H UNK 0 3.783 -2.008 0.500 0.00 0.00 H+0 HETATM 36 H UNK 0 -0.489 -0.101 2.443 0.00 0.00 H+0 HETATM 37 H UNK 0 -3.425 -1.706 -0.879 0.00 0.00 H+0 HETATM 38 H UNK 0 -4.848 -0.674 -0.695 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.284 -1.534 0.749 0.00 0.00 H+0 HETATM 40 H UNK 0 -3.678 3.823 1.023 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.179 3.736 -0.720 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.106 3.003 0.528 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.134 1.676 -1.949 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.432 2.103 -1.596 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.759 0.824 -2.839 0.00 0.00 H+0 CONECT 1 2 25 26 27 CONECT 2 1 3 CONECT 3 2 4 14 23 CONECT 4 3 5 28 29 CONECT 5 4 6 13 CONECT 6 5 7 30 CONECT 7 6 8 31 CONECT 8 7 9 13 CONECT 9 8 10 32 CONECT 10 9 11 33 CONECT 11 10 12 34 CONECT 12 11 13 35 CONECT 13 12 5 8 CONECT 14 3 15 36 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 19 21 CONECT 18 17 37 38 39 CONECT 19 17 20 CONECT 20 19 40 41 42 CONECT 21 17 22 23 CONECT 22 21 43 44 45 CONECT 23 21 24 3 CONECT 24 23 CONECT 25 1 CONECT 26 1 CONECT 27 1 CONECT 28 4 CONECT 29 4 CONECT 30 6 CONECT 31 7 CONECT 32 9 CONECT 33 10 CONECT 34 11 CONECT 35 12 CONECT 36 14 CONECT 37 18 CONECT 38 18 CONECT 39 18 CONECT 40 20 CONECT 41 20 CONECT 42 20 CONECT 43 22 CONECT 44 22 CONECT 45 22 MASTER 0 0 0 0 0 0 0 0 45 0 94 0 END