HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -5.302 3.409 2.064 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.900 2.823 0.762 0.00 0.00 C+0 HETATM 3 O UNK 0 -5.015 3.473 -0.303 0.00 0.00 O+0 HETATM 4 O UNK 0 -4.399 1.556 0.728 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.000 0.935 -0.446 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.526 0.598 -0.515 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.105 -0.430 0.541 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.631 0.414 1.659 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.416 0.950 1.819 0.00 0.00 O+0 HETATM 10 C UNK 0 0.697 1.179 1.014 0.00 0.00 C+0 HETATM 11 O UNK 0 1.500 0.216 1.145 0.00 0.00 O+0 HETATM 12 C UNK 0 1.012 2.247 0.144 0.00 0.00 C+0 HETATM 13 C UNK 0 1.835 3.246 0.257 0.00 0.00 C+0 HETATM 14 C UNK 0 1.967 4.270 -0.852 0.00 0.00 C+0 HETATM 15 C UNK 0 2.704 3.352 1.450 0.00 0.00 C+0 HETATM 16 C UNK 0 4.068 2.806 0.943 0.00 0.00 C+0 HETATM 17 O UNK 0 4.166 1.431 1.024 0.00 0.00 O+0 HETATM 18 C UNK 0 4.596 0.794 -0.135 0.00 0.00 C+0 HETATM 19 C UNK 0 5.754 -0.126 0.107 0.00 0.00 C+0 HETATM 20 C UNK 0 5.575 -1.143 1.179 0.00 0.00 C+0 HETATM 21 O UNK 0 6.198 -0.773 -1.045 0.00 0.00 O+0 HETATM 22 C UNK 0 3.601 0.454 -1.119 0.00 0.00 C+0 HETATM 23 C UNK 0 3.194 -0.692 -1.599 0.00 0.00 C+0 HETATM 24 C UNK 0 3.610 -2.006 -1.298 0.00 0.00 C+0 HETATM 25 C UNK 0 3.209 -2.870 -0.390 0.00 0.00 C+0 HETATM 26 C UNK 0 2.163 -2.725 0.623 0.00 0.00 C+0 HETATM 27 O UNK 0 2.706 -2.937 1.809 0.00 0.00 O+0 HETATM 28 O UNK 0 0.901 -2.432 0.337 0.00 0.00 O+0 HETATM 29 C UNK 0 -0.397 -2.320 0.699 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.036 -3.699 0.736 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.472 -3.300 0.498 0.00 0.00 C+0 HETATM 32 O UNK 0 -2.975 -2.474 1.478 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.349 -1.226 0.984 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.386 -1.370 -0.029 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.736 -0.318 -0.757 0.00 0.00 C+0 HETATM 36 C UNK 0 -5.781 -0.413 -1.791 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.228 -2.473 -0.709 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.636 -3.344 -1.838 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.714 -2.510 -1.914 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.255 -1.409 -0.150 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.562 -0.952 -1.403 0.00 0.00 C+0 HETATM 42 H UNK 0 -5.396 2.635 2.842 0.00 0.00 H+0 HETATM 43 H UNK 0 -4.478 4.124 2.342 0.00 0.00 H+0 HETATM 44 H UNK 0 -6.245 3.965 1.884 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.169 1.649 -1.293 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.354 0.233 -1.542 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.971 1.547 -0.414 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.827 -0.222 2.589 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.389 1.250 1.823 0.00 0.00 H+0 HETATM 50 H UNK 0 0.495 2.258 -0.909 0.00 0.00 H+0 HETATM 51 H UNK 0 3.033 4.551 -0.974 0.00 0.00 H+0 HETATM 52 H UNK 0 1.575 3.894 -1.799 0.00 0.00 H+0 HETATM 53 H UNK 0 1.416 5.194 -0.586 0.00 0.00 H+0 HETATM 54 H UNK 0 2.882 4.394 1.729 0.00 0.00 H+0 HETATM 55 H UNK 0 2.346 2.795 2.305 0.00 0.00 H+0 HETATM 56 H UNK 0 4.861 3.254 1.571 0.00 0.00 H+0 HETATM 57 H UNK 0 4.238 3.161 -0.094 0.00 0.00 H+0 HETATM 58 H UNK 0 5.159 1.694 -0.628 0.00 0.00 H+0 HETATM 59 H UNK 0 6.620 0.531 0.427 0.00 0.00 H+0 HETATM 60 H UNK 0 6.352 -0.982 1.956 0.00 0.00 H+0 HETATM 61 H UNK 0 5.716 -2.192 0.855 0.00 0.00 H+0 HETATM 62 H UNK 0 4.611 -0.985 1.746 0.00 0.00 H+0 HETATM 63 H UNK 0 6.031 -0.274 -1.865 0.00 0.00 H+0 HETATM 64 H UNK 0 3.051 1.337 -1.589 0.00 0.00 H+0 HETATM 65 H UNK 0 2.415 -0.582 -2.406 0.00 0.00 H+0 HETATM 66 H UNK 0 4.398 -2.476 -1.988 0.00 0.00 H+0 HETATM 67 H UNK 0 3.785 -3.845 -0.415 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.654 -1.974 1.749 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.921 -4.196 1.722 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.654 -4.330 -0.095 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.120 -4.184 0.302 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.755 -0.674 1.859 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.898 -2.328 -0.220 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.423 -1.284 -1.536 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.281 -0.526 -2.779 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.449 0.477 -1.801 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.641 -3.132 -2.208 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.930 -4.431 -1.855 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.361 0.122 -1.373 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.108 -1.171 -2.344 0.00 0.00 H+0 HETATM 81 H UNK 0 0.405 -1.490 -1.468 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 35 45 CONECT 6 5 7 46 47 CONECT 7 6 8 33 40 CONECT 8 7 9 48 49 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 50 CONECT 13 12 14 15 CONECT 14 13 51 52 53 CONECT 15 13 16 54 55 CONECT 16 15 17 56 57 CONECT 17 16 18 CONECT 18 17 19 22 58 CONECT 19 18 20 21 59 CONECT 20 19 60 61 62 CONECT 21 19 63 CONECT 22 18 23 64 CONECT 23 22 24 65 CONECT 24 23 25 66 CONECT 25 24 26 67 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 30 40 68 CONECT 30 29 31 69 70 CONECT 31 30 32 37 71 CONECT 32 31 33 CONECT 33 32 34 7 72 CONECT 34 33 35 73 CONECT 35 34 36 5 CONECT 36 35 74 75 76 CONECT 37 31 38 40 39 CONECT 38 37 39 77 78 CONECT 39 38 37 CONECT 40 37 41 7 29 CONECT 41 40 79 80 81 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 5 CONECT 46 6 CONECT 47 6 CONECT 48 8 CONECT 49 8 CONECT 50 12 CONECT 51 14 CONECT 52 14 CONECT 53 14 CONECT 54 15 CONECT 55 15 CONECT 56 16 CONECT 57 16 CONECT 58 18 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 20 CONECT 63 21 CONECT 64 22 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 29 CONECT 69 30 CONECT 70 30 CONECT 71 31 CONECT 72 33 CONECT 73 34 CONECT 74 36 CONECT 75 36 CONECT 76 36 CONECT 77 38 CONECT 78 38 CONECT 79 41 CONECT 80 41 CONECT 81 41 MASTER 0 0 0 0 0 0 0 0 81 0 170 0 END