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 -1.110 -1.677 -1.715 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.919 -2.075 -0.396 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.097 -1.167 0.271 0.00 0.00 C+0 HETATM 4 C UNK 0 1.124 -1.986 0.685 0.00 0.00 C+0 HETATM 5 O UNK 0 1.703 -1.400 1.656 0.00 0.00 O+0 HETATM 6 O UNK 0 1.482 -3.087 0.122 0.00 0.00 O+0 HETATM 7 C UNK 0 2.083 -4.282 0.006 0.00 0.00 C+0 HETATM 8 C UNK 0 2.597 -4.968 1.254 0.00 0.00 C+0 HETATM 9 C UNK 0 3.180 -4.209 -1.061 0.00 0.00 C+0 HETATM 10 C UNK 0 3.151 -2.944 -1.861 0.00 0.00 C+0 HETATM 11 C UNK 0 4.476 -4.730 -0.686 0.00 0.00 C+0 HETATM 12 C UNK 0 5.306 -4.101 0.109 0.00 0.00 C+0 HETATM 13 C UNK 0 6.621 -4.792 0.396 0.00 0.00 C+0 HETATM 14 C UNK 0 5.009 -2.846 0.712 0.00 0.00 C+0 HETATM 15 C UNK 0 5.848 -1.636 0.470 0.00 0.00 C+0 HETATM 16 C UNK 0 7.335 -1.891 0.386 0.00 0.00 C+0 HETATM 17 C UNK 0 5.560 -0.707 1.601 0.00 0.00 C+0 HETATM 18 O UNK 0 6.415 -0.789 2.564 0.00 0.00 O+0 HETATM 19 N UNK 0 4.506 0.202 1.725 0.00 0.00 N+0 HETATM 20 C UNK 0 4.133 1.326 0.915 0.00 0.00 C+0 HETATM 21 C UNK 0 5.291 1.797 0.011 0.00 0.00 C+0 HETATM 22 C UNK 0 3.004 1.096 -0.011 0.00 0.00 C+0 HETATM 23 O UNK 0 3.174 0.056 -0.748 0.00 0.00 O+0 HETATM 24 N UNK 0 1.825 1.834 -0.181 0.00 0.00 N+0 HETATM 25 C UNK 0 1.521 2.244 -1.577 0.00 0.00 C+0 HETATM 26 C UNK 0 0.847 2.247 0.784 0.00 0.00 C+0 HETATM 27 C UNK 0 1.098 3.632 1.359 0.00 0.00 C+0 HETATM 28 C UNK 0 1.098 4.707 0.369 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.030 5.228 -0.244 0.00 0.00 C+0 HETATM 30 Cl UNK 0 -1.705 4.743 -0.007 0.00 0.00 Cl+0 HETATM 31 N UNK 0 0.406 6.189 -1.067 0.00 0.00 N+0 HETATM 32 C UNK 0 1.757 6.299 -1.001 0.00 0.00 C+0 HETATM 33 C UNK 0 2.684 7.103 -1.618 0.00 0.00 C+0 HETATM 34 C UNK 0 4.030 6.991 -1.349 0.00 0.00 C+0 HETATM 35 C UNK 0 4.505 6.064 -0.445 0.00 0.00 C+0 HETATM 36 C UNK 0 3.581 5.259 0.174 0.00 0.00 C+0 HETATM 37 C UNK 0 2.231 5.358 -0.085 0.00 0.00 C+0 HETATM 38 C UNK 0 0.657 1.341 1.937 0.00 0.00 C+0 HETATM 39 O UNK 0 1.580 1.465 2.834 0.00 0.00 O+0 HETATM 40 N UNK 0 -0.335 0.409 2.194 0.00 0.00 N+0 HETATM 41 C UNK 0 -0.841 -0.703 1.477 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.279 -0.631 1.122 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.883 0.497 0.629 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.225 0.556 0.290 0.00 0.00 C+0 HETATM 45 C UNK 0 -5.027 -0.533 0.433 0.00 0.00 C+0 HETATM 46 O UNK 0 -6.360 -0.593 0.131 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.178 0.406 -0.380 0.00 0.00 C+0 HETATM 48 O UNK 0 -7.755 0.062 -1.606 0.00 0.00 O+0 HETATM 49 C UNK 0 -8.377 -1.185 -1.539 0.00 0.00 C+0 HETATM 50 O UNK 0 -8.995 -1.397 -2.775 0.00 0.00 O+0 HETATM 51 C UNK 0 -9.440 -1.270 -0.485 0.00 0.00 C+0 HETATM 52 O UNK 0 -10.664 -0.804 -0.970 0.00 0.00 O+0 HETATM 53 C UNK 0 -9.066 -0.623 0.811 0.00 0.00 C+0 HETATM 54 O UNK 0 -10.239 -0.341 1.518 0.00 0.00 O+0 HETATM 55 C UNK 0 -8.292 0.671 0.635 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.169 1.777 0.229 0.00 0.00 C+0 HETATM 57 O UNK 0 -9.333 2.826 0.907 0.00 0.00 O+0 HETATM 58 O UNK 0 -9.885 1.710 -0.971 0.00 0.00 O+0 HETATM 59 C UNK 0 -4.448 -1.701 0.933 0.00 0.00 C+0 HETATM 60 Cl UNK 0 -5.426 -3.136 1.141 0.00 0.00 Cl+0 HETATM 61 C UNK 0 -3.117 -1.743 1.265 0.00 0.00 C+0 HETATM 62 H UNK 0 -1.588 -0.674 -1.682 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.699 -2.409 -2.283 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.095 -1.517 -2.168 0.00 0.00 H+0 HETATM 65 H UNK 0 0.170 -0.381 -0.444 0.00 0.00 H+0 HETATM 66 H UNK 0 1.253 -5.006 -0.334 0.00 0.00 H+0 HETATM 67 H UNK 0 2.850 -4.224 2.036 0.00 0.00 H+0 HETATM 68 H UNK 0 3.530 -5.520 1.025 0.00 0.00 H+0 HETATM 69 H UNK 0 1.883 -5.700 1.687 0.00 0.00 H+0 HETATM 70 H UNK 0 2.787 -4.972 -1.840 0.00 0.00 H+0 HETATM 71 H UNK 0 4.112 -2.417 -1.717 0.00 0.00 H+0 HETATM 72 H UNK 0 3.120 -3.119 -2.981 0.00 0.00 H+0 HETATM 73 H UNK 0 2.253 -2.329 -1.679 0.00 0.00 H+0 HETATM 74 H UNK 0 4.807 -5.734 -1.092 0.00 0.00 H+0 HETATM 75 H UNK 0 6.457 -5.917 0.356 0.00 0.00 H+0 HETATM 76 H UNK 0 6.928 -4.626 1.448 0.00 0.00 H+0 HETATM 77 H UNK 0 7.381 -4.605 -0.358 0.00 0.00 H+0 HETATM 78 H UNK 0 5.109 -3.014 1.850 0.00 0.00 H+0 HETATM 79 H UNK 0 3.967 -2.490 0.650 0.00 0.00 H+0 HETATM 80 H UNK 0 5.600 -1.071 -0.451 0.00 0.00 H+0 HETATM 81 H UNK 0 7.555 -2.262 -0.622 0.00 0.00 H+0 HETATM 82 H UNK 0 7.801 -0.853 0.401 0.00 0.00 H+0 HETATM 83 H UNK 0 7.766 -2.429 1.223 0.00 0.00 H+0 HETATM 84 H UNK 0 3.861 0.059 2.571 0.00 0.00 H+0 HETATM 85 H UNK 0 3.942 2.243 1.553 0.00 0.00 H+0 HETATM 86 H UNK 0 5.204 2.861 -0.243 0.00 0.00 H+0 HETATM 87 H UNK 0 6.255 1.621 0.505 0.00 0.00 H+0 HETATM 88 H UNK 0 5.274 1.240 -0.963 0.00 0.00 H+0 HETATM 89 H UNK 0 0.449 2.454 -1.715 0.00 0.00 H+0 HETATM 90 H UNK 0 2.079 3.115 -1.898 0.00 0.00 H+0 HETATM 91 H UNK 0 1.713 1.321 -2.183 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.172 2.375 0.277 0.00 0.00 H+0 HETATM 93 H UNK 0 2.022 3.615 1.946 0.00 0.00 H+0 HETATM 94 H UNK 0 0.263 3.804 2.087 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.190 6.786 -1.685 0.00 0.00 H+0 HETATM 96 H UNK 0 2.308 7.829 -2.328 0.00 0.00 H+0 HETATM 97 H UNK 0 4.752 7.635 -1.847 0.00 0.00 H+0 HETATM 98 H UNK 0 5.567 6.012 -0.265 0.00 0.00 H+0 HETATM 99 H UNK 0 3.930 4.533 0.885 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.838 0.536 3.147 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.770 -1.590 2.207 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.324 1.408 0.484 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.673 1.473 -0.100 0.00 0.00 H+0 HETATM 104 H UNK 0 -6.651 1.350 -0.532 0.00 0.00 H+0 HETATM 105 H UNK 0 -7.643 -2.014 -1.408 0.00 0.00 H+0 HETATM 106 H UNK 0 -8.461 -2.013 -3.342 0.00 0.00 H+0 HETATM 107 H UNK 0 -9.588 -2.358 -0.268 0.00 0.00 H+0 HETATM 108 H UNK 0 -11.395 -1.422 -0.762 0.00 0.00 H+0 HETATM 109 H UNK 0 -8.478 -1.309 1.471 0.00 0.00 H+0 HETATM 110 H UNK 0 -10.525 -1.202 1.947 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.813 0.927 1.598 0.00 0.00 H+0 HETATM 112 H UNK 0 -9.982 2.493 -1.585 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.681 -2.668 1.655 0.00 0.00 H+0 CONECT 1 2 62 63 64 CONECT 2 1 3 CONECT 3 2 4 41 65 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 9 66 CONECT 8 7 67 68 69 CONECT 9 7 10 11 70 CONECT 10 9 71 72 73 CONECT 11 9 12 74 CONECT 12 11 13 14 CONECT 13 12 75 76 77 CONECT 14 12 15 78 79 CONECT 15 14 16 17 80 CONECT 16 15 81 82 83 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 84 CONECT 20 19 21 22 85 CONECT 21 20 86 87 88 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 89 90 91 CONECT 26 24 27 38 92 CONECT 27 26 28 93 94 CONECT 28 27 29 37 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 95 CONECT 32 31 33 37 CONECT 33 32 34 96 CONECT 34 33 35 97 CONECT 35 34 36 98 CONECT 36 35 37 99 CONECT 37 36 28 32 CONECT 38 26 39 40 CONECT 39 38 CONECT 40 38 41 100 CONECT 41 40 42 3 101 CONECT 42 41 43 61 CONECT 43 42 44 102 CONECT 44 43 45 103 CONECT 45 44 46 59 CONECT 46 45 47 CONECT 47 46 48 55 104 CONECT 48 47 49 CONECT 49 48 50 51 105 CONECT 50 49 106 CONECT 51 49 52 53 107 CONECT 52 51 108 CONECT 53 51 54 55 109 CONECT 54 53 110 CONECT 55 53 56 47 111 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 112 CONECT 59 45 60 61 CONECT 60 59 CONECT 61 59 42 113 CONECT 62 1 CONECT 63 1 CONECT 64 1 CONECT 65 3 CONECT 66 7 CONECT 67 8 CONECT 68 8 CONECT 69 8 CONECT 70 9 CONECT 71 10 CONECT 72 10 CONECT 73 10 CONECT 74 11 CONECT 75 13 CONECT 76 13 CONECT 77 13 CONECT 78 14 CONECT 79 14 CONECT 80 15 CONECT 81 16 CONECT 82 16 CONECT 83 16 CONECT 84 19 CONECT 85 20 CONECT 86 21 CONECT 87 21 CONECT 88 21 CONECT 89 25 CONECT 90 25 CONECT 91 25 CONECT 92 26 CONECT 93 27 CONECT 94 27 CONECT 95 31 CONECT 96 33 CONECT 97 34 CONECT 98 35 CONECT 99 36 CONECT 100 40 CONECT 101 41 CONECT 102 43 CONECT 103 44 CONECT 104 47 CONECT 105 49 CONECT 106 50 CONECT 107 51 CONECT 108 52 CONECT 109 53 CONECT 110 54 CONECT 111 55 CONECT 112 58 CONECT 113 61 MASTER 0 0 0 0 0 0 0 0 113 0 234 0 END