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 -6.896 -1.672 1.573 0.00 0.00 C+0 HETATM 2 N UNK 0 -5.932 -1.140 0.554 0.00 0.00 N+0 HETATM 3 C UNK 0 -4.585 -0.908 0.940 0.00 0.00 C+0 HETATM 4 O UNK 0 -4.028 -1.978 1.439 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.716 0.265 0.903 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.580 0.879 2.257 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.178 2.077 2.636 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.080 2.575 3.913 0.00 0.00 C+0 HETATM 9 Cl UNK 0 -4.844 4.070 4.401 0.00 0.00 Cl+0 HETATM 10 C UNK 0 -3.364 1.884 4.892 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.282 2.411 6.175 0.00 0.00 O+0 HETATM 12 C UNK 0 -2.777 0.718 4.535 0.00 0.00 C+0 HETATM 13 Cl UNK 0 -1.843 -0.184 5.715 0.00 0.00 Cl+0 HETATM 14 C UNK 0 -2.889 0.235 3.249 0.00 0.00 C+0 HETATM 15 N UNK 0 -2.510 0.218 0.137 0.00 0.00 N+0 HETATM 16 C UNK 0 -1.153 0.275 0.332 0.00 0.00 C+0 HETATM 17 O UNK 0 -0.506 1.391 0.155 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.132 -0.780 0.741 0.00 0.00 C+0 HETATM 19 N UNK 0 1.054 -0.234 1.351 0.00 0.00 N+0 HETATM 20 C UNK 0 2.426 -0.365 1.276 0.00 0.00 C+0 HETATM 21 O UNK 0 3.038 -1.033 2.279 0.00 0.00 O+0 HETATM 22 C UNK 0 3.471 0.048 0.344 0.00 0.00 C+0 HETATM 23 C UNK 0 3.135 1.450 -0.056 0.00 0.00 C+0 HETATM 24 C UNK 0 3.410 2.487 0.813 0.00 0.00 C+0 HETATM 25 C UNK 0 3.152 3.772 0.414 0.00 0.00 C+0 HETATM 26 Cl UNK 0 3.459 5.150 1.469 0.00 0.00 Cl+0 HETATM 27 C UNK 0 2.621 4.065 -0.847 0.00 0.00 C+0 HETATM 28 O UNK 0 2.373 5.356 -1.211 0.00 0.00 O+0 HETATM 29 C UNK 0 2.354 3.036 -1.694 0.00 0.00 C+0 HETATM 30 Cl UNK 0 1.699 3.323 -3.302 0.00 0.00 Cl+0 HETATM 31 C UNK 0 2.618 1.731 -1.283 0.00 0.00 C+0 HETATM 32 N UNK 0 4.862 0.050 0.886 0.00 0.00 N+0 HETATM 33 C UNK 0 6.067 -0.014 0.181 0.00 0.00 C+0 HETATM 34 O UNK 0 6.593 1.111 -0.268 0.00 0.00 O+0 HETATM 35 C UNK 0 6.948 -1.137 -0.185 0.00 0.00 C+0 HETATM 36 N UNK 0 8.029 -1.011 0.865 0.00 0.00 N+0 HETATM 37 C UNK 0 9.055 -0.050 0.674 0.00 0.00 C+0 HETATM 38 O UNK 0 9.041 0.640 -0.362 0.00 0.00 O+0 HETATM 39 C UNK 0 10.115 0.157 1.645 0.00 0.00 C+0 HETATM 40 O UNK 0 10.065 -0.446 2.745 0.00 0.00 O+0 HETATM 41 C UNK 0 11.268 1.042 1.421 0.00 0.00 C+0 HETATM 42 C UNK 0 11.452 1.701 0.239 0.00 0.00 C+0 HETATM 43 C UNK 0 12.582 2.506 0.023 0.00 0.00 C+0 HETATM 44 Cl UNK 0 12.818 3.334 -1.498 0.00 0.00 Cl+0 HETATM 45 C UNK 0 13.503 2.614 1.040 0.00 0.00 C+0 HETATM 46 O UNK 0 14.641 3.420 0.813 0.00 0.00 O+0 HETATM 47 C UNK 0 13.321 1.957 2.234 0.00 0.00 C+0 HETATM 48 Cl UNK 0 14.514 2.123 3.502 0.00 0.00 Cl+0 HETATM 49 C UNK 0 12.206 1.171 2.432 0.00 0.00 C+0 HETATM 50 C UNK 0 7.610 -1.314 -1.459 0.00 0.00 C+0 HETATM 51 C UNK 0 7.101 -2.094 -2.636 0.00 0.00 C+0 HETATM 52 C UNK 0 7.048 -1.218 -3.809 0.00 0.00 C+0 HETATM 53 O UNK 0 8.015 -0.659 -4.423 0.00 0.00 O+0 HETATM 54 N UNK 0 5.714 -1.080 -4.173 0.00 0.00 N+0 HETATM 55 C UNK 0 4.939 -1.994 -3.349 0.00 0.00 C+0 HETATM 56 C UNK 0 3.520 -2.184 -3.367 0.00 0.00 C+0 HETATM 57 C UNK 0 2.952 -3.087 -2.493 0.00 0.00 C+0 HETATM 58 C UNK 0 3.886 -3.772 -1.669 0.00 0.00 C+0 HETATM 59 C UNK 0 5.256 -3.572 -1.673 0.00 0.00 C+0 HETATM 60 C UNK 0 5.770 -2.634 -2.551 0.00 0.00 C+0 HETATM 61 C UNK 0 1.476 -2.935 -2.084 0.00 0.00 C+0 HETATM 62 C UNK 0 1.147 -1.994 -1.093 0.00 0.00 C+0 HETATM 63 C UNK 0 0.009 -1.840 -0.337 0.00 0.00 C+0 HETATM 64 C UNK 0 -0.986 -2.782 -0.641 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.773 -3.717 -1.616 0.00 0.00 C+0 HETATM 66 C UNK 0 0.397 -3.808 -2.313 0.00 0.00 C+0 HETATM 67 O UNK 0 0.545 -4.773 -3.276 0.00 0.00 O+0 HETATM 68 O UNK 0 -1.718 -4.725 -2.096 0.00 0.00 O+0 HETATM 69 C UNK 0 -3.108 -4.202 -2.004 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.826 -4.542 -0.911 0.00 0.00 C+0 HETATM 71 C UNK 0 -5.152 -4.026 -0.700 0.00 0.00 C+0 HETATM 72 C UNK 0 -5.687 -3.176 -1.637 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.961 -2.853 -2.754 0.00 0.00 C+0 HETATM 74 C UNK 0 -3.646 -3.390 -2.921 0.00 0.00 C+0 HETATM 75 C UNK 0 -6.950 -2.404 -1.351 0.00 0.00 C+0 HETATM 76 C UNK 0 -6.541 -0.985 -0.752 0.00 0.00 C+0 HETATM 77 C UNK 0 -7.839 -0.297 -0.780 0.00 0.00 C+0 HETATM 78 O UNK 0 -8.471 -0.322 -1.896 0.00 0.00 O+0 HETATM 79 N UNK 0 -8.515 0.394 0.238 0.00 0.00 N+0 HETATM 80 C UNK 0 -9.865 0.953 -0.044 0.00 0.00 C+0 HETATM 81 C UNK 0 -10.804 0.260 0.855 0.00 0.00 C+0 HETATM 82 O UNK 0 -10.454 -0.609 1.677 0.00 0.00 O+0 HETATM 83 O UNK 0 -12.152 0.597 0.779 0.00 0.00 O+0 HETATM 84 C UNK 0 -9.945 2.391 0.189 0.00 0.00 C+0 HETATM 85 C UNK 0 -9.498 2.952 1.359 0.00 0.00 C+0 HETATM 86 C UNK 0 -9.605 4.318 1.535 0.00 0.00 C+0 HETATM 87 C UNK 0 -10.152 5.156 0.567 0.00 0.00 C+0 HETATM 88 O UNK 0 -10.253 6.524 0.768 0.00 0.00 O+0 HETATM 89 C UNK 0 -10.595 4.573 -0.602 0.00 0.00 C+0 HETATM 90 C UNK 0 -10.492 3.214 -0.785 0.00 0.00 C+0 HETATM 91 H UNK 0 -6.968 -1.014 2.445 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.910 -1.755 1.150 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.520 -2.644 1.947 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.389 1.063 0.372 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.736 2.628 1.870 0.00 0.00 H+0 HETATM 96 H UNK 0 -2.777 1.947 6.914 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.426 -0.695 3.003 0.00 0.00 H+0 HETATM 98 H UNK 0 -2.755 0.144 -0.955 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.568 -1.126 1.700 0.00 0.00 H+0 HETATM 100 H UNK 0 0.720 0.484 2.122 0.00 0.00 H+0 HETATM 101 H UNK 0 3.572 -0.626 -0.558 0.00 0.00 H+0 HETATM 102 H UNK 0 3.815 2.267 1.768 0.00 0.00 H+0 HETATM 103 H UNK 0 1.977 5.534 -2.142 0.00 0.00 H+0 HETATM 104 H UNK 0 2.358 0.979 -2.024 0.00 0.00 H+0 HETATM 105 H UNK 0 4.789 0.135 1.972 0.00 0.00 H+0 HETATM 106 H UNK 0 6.524 -2.137 0.156 0.00 0.00 H+0 HETATM 107 H UNK 0 8.049 -1.584 1.712 0.00 0.00 H+0 HETATM 108 H UNK 0 10.785 1.676 -0.620 0.00 0.00 H+0 HETATM 109 H UNK 0 15.330 3.491 1.545 0.00 0.00 H+0 HETATM 110 H UNK 0 12.055 0.659 3.370 0.00 0.00 H+0 HETATM 111 H UNK 0 8.048 -0.381 -1.856 0.00 0.00 H+0 HETATM 112 H UNK 0 8.571 -1.940 -1.179 0.00 0.00 H+0 HETATM 113 H UNK 0 7.917 -2.845 -2.953 0.00 0.00 H+0 HETATM 114 H UNK 0 5.266 -0.467 -4.885 0.00 0.00 H+0 HETATM 115 H UNK 0 3.038 -1.545 -4.190 0.00 0.00 H+0 HETATM 116 H UNK 0 3.713 -4.598 -0.911 0.00 0.00 H+0 HETATM 117 H UNK 0 5.737 -4.229 -0.943 0.00 0.00 H+0 HETATM 118 H UNK 0 1.846 -1.067 -1.181 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.954 -2.900 -0.059 0.00 0.00 H+0 HETATM 120 H UNK 0 1.412 -4.861 -3.804 0.00 0.00 H+0 HETATM 121 H UNK 0 -3.559 -5.250 -0.062 0.00 0.00 H+0 HETATM 122 H UNK 0 -5.551 -4.466 0.260 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.146 -2.229 -3.664 0.00 0.00 H+0 HETATM 124 H UNK 0 -3.268 -3.027 -3.916 0.00 0.00 H+0 HETATM 125 H UNK 0 -7.622 -2.733 -0.559 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.658 -2.251 -2.171 0.00 0.00 H+0 HETATM 127 H UNK 0 -5.892 -0.514 -1.495 0.00 0.00 H+0 HETATM 128 H UNK 0 -8.166 0.574 1.191 0.00 0.00 H+0 HETATM 129 H UNK 0 -10.152 0.723 -1.104 0.00 0.00 H+0 HETATM 130 H UNK 0 -12.862 -0.139 0.648 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.062 2.328 2.154 0.00 0.00 H+0 HETATM 132 H UNK 0 -9.248 4.753 2.451 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.475 7.084 0.469 0.00 0.00 H+0 HETATM 134 H UNK 0 -11.019 5.202 -1.388 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.831 2.717 -1.695 0.00 0.00 H+0 CONECT 1 2 91 92 93 CONECT 2 1 3 76 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 15 94 CONECT 6 5 7 14 CONECT 7 6 8 95 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 12 CONECT 11 10 96 CONECT 12 10 13 14 CONECT 13 12 CONECT 14 12 6 97 CONECT 15 5 16 98 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 63 99 CONECT 19 18 20 100 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 32 101 CONECT 23 22 24 31 CONECT 24 23 25 102 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 CONECT 28 27 103 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 23 104 CONECT 32 22 33 105 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 50 106 CONECT 36 35 37 107 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 49 CONECT 42 41 43 108 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 47 CONECT 46 45 109 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 41 110 CONECT 50 35 51 111 112 CONECT 51 50 52 60 113 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 114 CONECT 55 54 56 60 CONECT 56 55 57 115 CONECT 57 56 58 61 CONECT 58 57 59 116 CONECT 59 58 60 117 CONECT 60 59 51 55 CONECT 61 57 62 66 CONECT 62 61 63 118 CONECT 63 62 64 18 CONECT 64 63 65 119 CONECT 65 64 66 68 CONECT 66 65 67 61 CONECT 67 66 120 CONECT 68 65 69 CONECT 69 68 70 74 CONECT 70 69 71 121 CONECT 71 70 72 122 CONECT 72 71 73 75 CONECT 73 72 74 123 CONECT 74 73 69 124 CONECT 75 72 76 125 126 CONECT 76 75 77 2 127 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 128 CONECT 80 79 81 84 129 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 130 CONECT 84 80 85 90 CONECT 85 84 86 131 CONECT 86 85 87 132 CONECT 87 86 88 89 CONECT 88 87 133 CONECT 89 87 90 134 CONECT 90 89 84 135 CONECT 91 1 CONECT 92 1 CONECT 93 1 CONECT 94 5 CONECT 95 7 CONECT 96 11 CONECT 97 14 CONECT 98 15 CONECT 99 18 CONECT 100 19 CONECT 101 22 CONECT 102 24 CONECT 103 28 CONECT 104 31 CONECT 105 32 CONECT 106 35 CONECT 107 36 CONECT 108 42 CONECT 109 46 CONECT 110 49 CONECT 111 50 CONECT 112 50 CONECT 113 51 CONECT 114 54 CONECT 115 56 CONECT 116 58 CONECT 117 59 CONECT 118 62 CONECT 119 64 CONECT 120 67 CONECT 121 70 CONECT 122 71 CONECT 123 73 CONECT 124 74 CONECT 125 75 CONECT 126 75 CONECT 127 76 CONECT 128 79 CONECT 129 80 CONECT 130 83 CONECT 131 85 CONECT 132 86 CONECT 133 88 CONECT 134 89 CONECT 135 90 MASTER 0 0 0 0 0 0 0 0 135 0 288 0 END