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 -2.309 3.612 1.827 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.203 3.283 0.371 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.771 1.824 0.158 0.00 0.00 C+0 HETATM 4 N UNK 0 -2.756 0.953 0.764 0.00 0.00 N+0 HETATM 5 C UNK 0 -2.684 -0.439 0.958 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.887 -0.868 2.126 0.00 0.00 O+0 HETATM 7 C UNK 0 -2.394 -1.470 -0.067 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.616 -1.539 -1.003 0.00 0.00 C+0 HETATM 9 Cl UNK 0 -4.318 0.045 -1.298 0.00 0.00 Cl+0 HETATM 10 C UNK 0 -4.570 -2.409 -0.225 0.00 0.00 C+0 HETATM 11 Cl UNK 0 -5.882 -1.483 0.514 0.00 0.00 Cl+0 HETATM 12 C UNK 0 -3.742 -3.149 0.792 0.00 0.00 C+0 HETATM 13 N UNK 0 -2.389 -2.800 0.445 0.00 0.00 N+0 HETATM 14 C UNK 0 -1.190 -3.538 0.542 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.969 -4.285 1.561 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.095 -3.551 -0.452 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.114 -4.949 -1.083 0.00 0.00 C+0 HETATM 18 N UNK 0 1.162 -3.453 0.260 0.00 0.00 N+0 HETATM 19 C UNK 0 2.129 -2.497 -0.215 0.00 0.00 C+0 HETATM 20 O UNK 0 3.366 -2.767 -0.066 0.00 0.00 O+0 HETATM 21 C UNK 0 1.620 -1.276 -0.839 0.00 0.00 C+0 HETATM 22 C UNK 0 2.733 -0.304 -1.102 0.00 0.00 C+0 HETATM 23 C UNK 0 3.316 0.270 0.134 0.00 0.00 C+0 HETATM 24 C UNK 0 2.941 -0.054 1.402 0.00 0.00 C+0 HETATM 25 C UNK 0 3.530 0.523 2.498 0.00 0.00 C+0 HETATM 26 C UNK 0 4.533 1.463 2.371 0.00 0.00 C+0 HETATM 27 C UNK 0 4.926 1.805 1.095 0.00 0.00 C+0 HETATM 28 C UNK 0 4.326 1.217 0.003 0.00 0.00 C+0 HETATM 29 N UNK 0 2.443 0.685 -2.114 0.00 0.00 N+0 HETATM 30 C UNK 0 1.339 1.493 -2.310 0.00 0.00 C+0 HETATM 31 O UNK 0 0.705 1.338 -3.431 0.00 0.00 O+0 HETATM 32 C UNK 0 0.755 2.529 -1.428 0.00 0.00 C+0 HETATM 33 C UNK 0 1.475 3.865 -1.606 0.00 0.00 C+0 HETATM 34 O UNK 0 0.832 4.910 -0.969 0.00 0.00 O+0 HETATM 35 N UNK 0 0.676 2.209 -0.041 0.00 0.00 N+0 HETATM 36 C UNK 0 -0.411 1.591 0.614 0.00 0.00 C+0 HETATM 37 O UNK 0 -0.170 0.844 1.591 0.00 0.00 O+0 HETATM 38 H UNK 0 -3.285 3.348 2.279 0.00 0.00 H+0 HETATM 39 H UNK 0 -1.536 3.116 2.446 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.112 4.712 1.932 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.253 3.359 -0.043 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.616 3.999 -0.197 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.812 1.644 -0.936 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.634 1.474 1.092 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.559 -1.211 -0.724 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.302 -1.996 -1.963 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.029 -3.110 -0.951 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.003 -2.889 1.835 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.992 -4.223 0.699 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.217 -2.848 -1.264 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.153 -5.341 -1.135 0.00 0.00 H+0 HETATM 52 H UNK 0 0.445 -5.634 -0.408 0.00 0.00 H+0 HETATM 53 H UNK 0 0.364 -4.942 -2.083 0.00 0.00 H+0 HETATM 54 H UNK 0 1.358 -4.053 1.083 0.00 0.00 H+0 HETATM 55 H UNK 0 0.764 -0.867 -0.320 0.00 0.00 H+0 HETATM 56 H UNK 0 1.238 -1.582 -1.862 0.00 0.00 H+0 HETATM 57 H UNK 0 3.558 -1.005 -1.464 0.00 0.00 H+0 HETATM 58 H UNK 0 2.167 -0.778 1.545 0.00 0.00 H+0 HETATM 59 H UNK 0 3.224 0.257 3.522 0.00 0.00 H+0 HETATM 60 H UNK 0 5.000 1.921 3.258 0.00 0.00 H+0 HETATM 61 H UNK 0 5.707 2.536 0.948 0.00 0.00 H+0 HETATM 62 H UNK 0 4.646 1.496 -0.993 0.00 0.00 H+0 HETATM 63 H UNK 0 3.240 0.793 -2.837 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.306 2.757 -1.738 0.00 0.00 H+0 HETATM 65 H UNK 0 2.536 3.761 -1.287 0.00 0.00 H+0 HETATM 66 H UNK 0 1.516 4.129 -2.696 0.00 0.00 H+0 HETATM 67 H UNK 0 1.161 5.058 -0.039 0.00 0.00 H+0 HETATM 68 H UNK 0 1.545 2.489 0.525 0.00 0.00 H+0 CONECT 1 2 38 39 40 CONECT 2 1 3 41 42 CONECT 3 2 4 36 43 CONECT 4 3 5 44 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 13 45 CONECT 8 7 9 10 46 CONECT 9 8 CONECT 10 8 11 12 47 CONECT 11 10 CONECT 12 10 13 48 49 CONECT 13 12 14 7 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 18 50 CONECT 17 16 51 52 53 CONECT 18 16 19 54 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 55 56 CONECT 22 21 23 29 57 CONECT 23 22 24 28 CONECT 24 23 25 58 CONECT 25 24 26 59 CONECT 26 25 27 60 CONECT 27 26 28 61 CONECT 28 27 23 62 CONECT 29 22 30 63 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 35 64 CONECT 33 32 34 65 66 CONECT 34 33 67 CONECT 35 32 36 68 CONECT 36 35 37 3 CONECT 37 36 CONECT 38 1 CONECT 39 1 CONECT 40 1 CONECT 41 2 CONECT 42 2 CONECT 43 3 CONECT 44 4 CONECT 45 7 CONECT 46 8 CONECT 47 10 CONECT 48 12 CONECT 49 12 CONECT 50 16 CONECT 51 17 CONECT 52 17 CONECT 53 17 CONECT 54 18 CONECT 55 21 CONECT 56 21 CONECT 57 22 CONECT 58 24 CONECT 59 25 CONECT 60 26 CONECT 61 27 CONECT 62 28 CONECT 63 29 CONECT 64 32 CONECT 65 33 CONECT 66 33 CONECT 67 34 CONECT 68 35 MASTER 0 0 0 0 0 0 0 0 68 0 140 0 END