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 -9.908 -0.354 -1.294 0.00 0.00 C+0 HETATM 2 O UNK 0 -8.748 -0.372 -2.062 0.00 0.00 O+0 HETATM 3 C UNK 0 -7.685 -0.951 -1.425 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.995 -2.058 -2.140 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.007 -3.162 -2.378 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.911 -2.565 -1.246 0.00 0.00 C+0 HETATM 7 O UNK 0 -6.552 -3.344 -0.246 0.00 0.00 O+0 HETATM 8 C UNK 0 -5.109 -3.601 -2.047 0.00 0.00 C+0 HETATM 9 O UNK 0 -5.982 -4.569 -2.575 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.454 -2.985 -3.225 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.589 -2.096 -3.039 0.00 0.00 O+0 HETATM 12 O UNK 0 -4.736 -3.330 -4.537 0.00 0.00 O+0 HETATM 13 O UNK 0 -5.145 -1.688 -0.589 0.00 0.00 O+0 HETATM 14 C UNK 0 -5.459 -0.385 -0.447 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.189 0.428 -0.616 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.140 0.028 0.448 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.693 0.262 1.826 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.673 0.739 2.829 0.00 0.00 C+0 HETATM 19 O UNK 0 -3.024 0.353 4.132 0.00 0.00 O+0 HETATM 20 C UNK 0 -3.121 1.491 4.908 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.348 0.140 2.458 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.350 -1.372 2.524 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.977 0.647 1.077 0.00 0.00 C+0 HETATM 24 O UNK 0 -2.051 0.821 0.238 0.00 0.00 O+0 HETATM 25 O UNK 0 -0.093 -0.255 0.506 0.00 0.00 O+0 HETATM 26 C UNK 0 1.123 0.371 0.290 0.00 0.00 C+0 HETATM 27 C UNK 0 1.705 -0.110 -0.998 0.00 0.00 C+0 HETATM 28 C UNK 0 2.015 0.134 1.471 0.00 0.00 C+0 HETATM 29 C UNK 0 2.351 -1.306 1.729 0.00 0.00 C+0 HETATM 30 C UNK 0 3.853 -1.245 2.032 0.00 0.00 C+0 HETATM 31 C UNK 0 4.045 0.221 2.326 0.00 0.00 C+0 HETATM 32 C UNK 0 5.433 0.719 2.173 0.00 0.00 C+0 HETATM 33 C UNK 0 6.373 0.225 3.279 0.00 0.00 C+0 HETATM 34 C UNK 0 7.699 0.702 2.663 0.00 0.00 C+0 HETATM 35 C UNK 0 7.430 0.601 1.206 0.00 0.00 C+0 HETATM 36 C UNK 0 8.016 1.723 0.406 0.00 0.00 C+0 HETATM 37 O UNK 0 9.374 1.825 0.725 0.00 0.00 O+0 HETATM 38 C UNK 0 7.981 1.407 -1.096 0.00 0.00 C+0 HETATM 39 C UNK 0 8.580 2.567 -1.877 0.00 0.00 C+0 HETATM 40 C UNK 0 8.672 0.142 -1.385 0.00 0.00 C+0 HETATM 41 C UNK 0 8.107 -0.929 -1.899 0.00 0.00 C+0 HETATM 42 C UNK 0 6.665 -0.893 -2.224 0.00 0.00 C+0 HETATM 43 C UNK 0 8.900 -2.149 -2.146 0.00 0.00 C+0 HETATM 44 C UNK 0 8.281 -3.359 -2.720 0.00 0.00 C+0 HETATM 45 O UNK 0 10.107 -2.123 -1.852 0.00 0.00 O+0 HETATM 46 O UNK 0 6.070 0.410 0.998 0.00 0.00 O+0 HETATM 47 O UNK 0 3.254 0.778 1.295 0.00 0.00 O+0 HETATM 48 C UNK 0 0.825 1.855 0.209 0.00 0.00 C+0 HETATM 49 O UNK 0 1.916 2.619 0.606 0.00 0.00 O+0 HETATM 50 C UNK 0 2.286 3.561 -0.349 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.245 1.963 1.273 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.106 3.168 1.109 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.608 0.154 -1.216 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.239 0.591 -2.618 0.00 0.00 C+0 HETATM 55 O UNK 0 -7.335 1.162 -0.618 0.00 0.00 O+0 HETATM 56 C UNK 0 -6.709 2.307 -0.270 0.00 0.00 C+0 HETATM 57 H UNK 0 -10.738 0.122 -1.852 0.00 0.00 H+0 HETATM 58 H UNK 0 -9.718 0.315 -0.402 0.00 0.00 H+0 HETATM 59 H UNK 0 -10.173 -1.327 -0.877 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.981 -1.329 -0.403 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.627 -1.771 -3.150 0.00 0.00 H+0 HETATM 62 H UNK 0 -9.066 -2.763 -2.391 0.00 0.00 H+0 HETATM 63 H UNK 0 -8.001 -3.922 -1.582 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.889 -3.583 -3.403 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.833 -3.617 0.363 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.426 -4.125 -1.372 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.802 -4.780 -3.515 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.295 -2.759 -5.170 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.718 -0.233 0.648 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.688 0.213 -1.582 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.303 1.499 -0.547 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.925 -1.047 0.261 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.125 -0.672 2.260 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.460 1.066 1.757 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.576 1.825 2.790 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.879 2.209 4.551 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.355 1.188 5.942 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.151 2.051 4.906 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.623 0.486 3.226 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.378 -1.795 2.627 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.798 -1.752 3.424 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.805 -1.803 1.643 0.00 0.00 H+0 HETATM 83 H UNK 0 1.315 0.469 -1.851 0.00 0.00 H+0 HETATM 84 H UNK 0 2.809 -0.027 -1.040 0.00 0.00 H+0 HETATM 85 H UNK 0 1.376 -1.172 -1.195 0.00 0.00 H+0 HETATM 86 H UNK 0 1.604 0.538 2.414 0.00 0.00 H+0 HETATM 87 H UNK 0 1.882 -1.692 2.666 0.00 0.00 H+0 HETATM 88 H UNK 0 2.099 -1.990 0.921 0.00 0.00 H+0 HETATM 89 H UNK 0 4.452 -1.502 1.134 0.00 0.00 H+0 HETATM 90 H UNK 0 4.134 -1.892 2.875 0.00 0.00 H+0 HETATM 91 H UNK 0 3.594 0.454 3.314 0.00 0.00 H+0 HETATM 92 H UNK 0 5.474 1.843 2.271 0.00 0.00 H+0 HETATM 93 H UNK 0 6.168 0.689 4.245 0.00 0.00 H+0 HETATM 94 H UNK 0 6.424 -0.882 3.300 0.00 0.00 H+0 HETATM 95 H UNK 0 8.551 0.126 3.019 0.00 0.00 H+0 HETATM 96 H UNK 0 7.860 1.775 2.972 0.00 0.00 H+0 HETATM 97 H UNK 0 7.923 -0.342 0.843 0.00 0.00 H+0 HETATM 98 H UNK 0 7.545 2.699 0.549 0.00 0.00 H+0 HETATM 99 H UNK 0 9.646 2.793 0.672 0.00 0.00 H+0 HETATM 100 H UNK 0 6.921 1.318 -1.388 0.00 0.00 H+0 HETATM 101 H UNK 0 9.496 2.904 -1.363 0.00 0.00 H+0 HETATM 102 H UNK 0 7.785 3.362 -1.908 0.00 0.00 H+0 HETATM 103 H UNK 0 8.809 2.272 -2.914 0.00 0.00 H+0 HETATM 104 H UNK 0 9.743 0.077 -1.156 0.00 0.00 H+0 HETATM 105 H UNK 0 6.412 0.002 -2.846 0.00 0.00 H+0 HETATM 106 H UNK 0 6.445 -1.760 -2.916 0.00 0.00 H+0 HETATM 107 H UNK 0 5.998 -0.996 -1.355 0.00 0.00 H+0 HETATM 108 H UNK 0 8.881 -4.249 -2.396 0.00 0.00 H+0 HETATM 109 H UNK 0 8.270 -3.286 -3.820 0.00 0.00 H+0 HETATM 110 H UNK 0 7.253 -3.541 -2.331 0.00 0.00 H+0 HETATM 111 H UNK 0 0.489 2.167 -0.778 0.00 0.00 H+0 HETATM 112 H UNK 0 2.562 3.083 -1.311 0.00 0.00 H+0 HETATM 113 H UNK 0 1.545 4.356 -0.449 0.00 0.00 H+0 HETATM 114 H UNK 0 3.224 4.039 0.025 0.00 0.00 H+0 HETATM 115 H UNK 0 0.229 2.013 2.273 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.249 3.685 2.093 0.00 0.00 H+0 HETATM 117 H UNK 0 -2.125 2.930 0.738 0.00 0.00 H+0 HETATM 118 H UNK 0 -0.622 3.956 0.472 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.507 -0.101 -3.106 0.00 0.00 H+0 HETATM 120 H UNK 0 -5.889 1.629 -2.694 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.164 0.537 -3.228 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.209 2.838 -1.130 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.133 2.319 0.660 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.565 3.047 -0.039 0.00 0.00 H+0 CONECT 1 2 57 58 59 CONECT 2 1 3 CONECT 3 2 4 53 60 CONECT 4 3 5 6 61 CONECT 5 4 62 63 64 CONECT 6 4 7 8 13 CONECT 7 6 65 CONECT 8 6 9 10 66 CONECT 9 8 67 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 10 68 CONECT 13 6 14 CONECT 14 13 15 53 69 CONECT 15 14 16 70 71 CONECT 16 15 17 24 72 CONECT 17 16 18 73 74 CONECT 18 17 19 21 75 CONECT 19 18 20 CONECT 20 19 76 77 78 CONECT 21 18 22 23 79 CONECT 22 21 80 81 82 CONECT 23 21 24 25 51 CONECT 24 23 16 CONECT 25 23 26 CONECT 26 25 27 28 48 CONECT 27 26 83 84 85 CONECT 28 26 29 47 86 CONECT 29 28 30 87 88 CONECT 30 29 31 89 90 CONECT 31 30 32 47 91 CONECT 32 31 33 46 92 CONECT 33 32 34 93 94 CONECT 34 33 35 95 96 CONECT 35 34 36 46 97 CONECT 36 35 37 38 98 CONECT 37 36 99 CONECT 38 36 39 40 100 CONECT 39 38 101 102 103 CONECT 40 38 41 104 CONECT 41 40 42 43 CONECT 42 41 105 106 107 CONECT 43 41 44 45 CONECT 44 43 108 109 110 CONECT 45 43 CONECT 46 35 32 CONECT 47 31 28 CONECT 48 26 49 51 111 CONECT 49 48 50 CONECT 50 49 112 113 114 CONECT 51 48 52 23 115 CONECT 52 51 116 117 118 CONECT 53 14 54 55 3 CONECT 54 53 119 120 121 CONECT 55 53 56 CONECT 56 55 122 123 124 CONECT 57 1 CONECT 58 1 CONECT 59 1 CONECT 60 3 CONECT 61 4 CONECT 62 5 CONECT 63 5 CONECT 64 5 CONECT 65 7 CONECT 66 8 CONECT 67 9 CONECT 68 12 CONECT 69 14 CONECT 70 15 CONECT 71 15 CONECT 72 16 CONECT 73 17 CONECT 74 17 CONECT 75 18 CONECT 76 20 CONECT 77 20 CONECT 78 20 CONECT 79 21 CONECT 80 22 CONECT 81 22 CONECT 82 22 CONECT 83 27 CONECT 84 27 CONECT 85 27 CONECT 86 28 CONECT 87 29 CONECT 88 29 CONECT 89 30 CONECT 90 30 CONECT 91 31 CONECT 92 32 CONECT 93 33 CONECT 94 33 CONECT 95 34 CONECT 96 34 CONECT 97 35 CONECT 98 36 CONECT 99 37 CONECT 100 38 CONECT 101 39 CONECT 102 39 CONECT 103 39 CONECT 104 40 CONECT 105 42 CONECT 106 42 CONECT 107 42 CONECT 108 44 CONECT 109 44 CONECT 110 44 CONECT 111 48 CONECT 112 50 CONECT 113 50 CONECT 114 50 CONECT 115 51 CONECT 116 52 CONECT 117 52 CONECT 118 52 CONECT 119 54 CONECT 120 54 CONECT 121 54 CONECT 122 56 CONECT 123 56 CONECT 124 56 MASTER 0 0 0 0 0 0 0 0 124 0 256 0 END