| REMARK GENERATED BY GlycanAnalysisPipeline from GlycoShape |
| REMARK ____ _ ____ _ |
| REMARK / ___| |_ _ ___ ___/ ___|| |__ __ _ _ __ ___ |
| REMARK | | _| | | | |/ __/ _ \___ \| '_ \ / _` | '_ \ / _ \ |
| REMARK | |_| | | |_| | (_| (_) |__) | | | | (_| | |_) | __/ |
| REMARK \____|_|\__, |\___\___/____/|_| |_|\__,_| .__/ \___| |
| REMARK |___/ |_| |
| REMARK https://GlycoShape.org |
| REMARK GlyTouCan ID: G55220VL |
| REMARK IUPAC Name: Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc(b1- |
| REMARK Cite: Restoring protein glycosylation with GlycoShape. |
| REMARK Nat Methods 21, 2117–2127 (2024). https://doi.org/10.1038/s41592-024-02464-7 |
| REMARK Callum M. Ives* and Ojas Singh*, Silvia D'Andrea, Carl A. Fogarty, |
| REMARK Aoife M. Harbison, Akash Satheesan, Beatrice Tropea, Elisa Fadda |
| REMARK Data available under CC BY-NC-ND 4.0 for academic use only. |
| REMARK Contact elisa.fadda@soton.ac.uk for commercial licence. |
| REMARK GLYCAN MULTI-MODEL PDB LEVEL LEVEL_1 ANOMER BETA |
| MODEL 1 |
| ATOM 1 HO1 ROH X 1 27.858 18.307 35.720 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 27.331 19.094 35.870 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 26.769 19.288 34.632 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 26.083 18.443 34.580 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 26.014 20.626 34.496 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 26.771 21.328 34.842 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 24.843 20.711 35.422 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 23.984 20.885 34.921 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 24.928 20.673 36.747 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 23.537 20.803 37.543 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 23.475 21.788 37.997 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 22.629 20.752 36.945 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 23.394 20.044 38.321 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 25.972 20.649 37.348 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 25.683 20.826 33.029 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 24.994 20.093 32.601 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 24.946 22.038 32.820 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 25.105 22.224 31.888 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 26.957 20.822 32.131 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 27.530 21.690 32.435 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 27.725 19.440 32.246 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 27.020 18.774 31.746 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 29.102 19.451 31.508 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 29.102 19.408 30.410 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 29.395 18.422 31.674 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 30.060 20.354 31.945 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 30.277 20.196 32.862 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 27.857 19.020 33.654 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 26.678 20.895 30.648 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 26.590 22.158 30.000 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 27.382 22.799 30.377 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 25.330 22.860 30.326 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 25.055 24.198 29.750 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 25.816 24.927 30.027 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 23.684 24.657 30.331 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 23.056 23.779 30.454 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 23.239 25.246 29.525 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 23.791 25.379 31.647 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 22.979 25.194 32.119 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.981 23.988 28.212 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 24.115 23.362 27.978 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 26.286 23.301 27.741 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 27.120 23.931 28.041 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 26.219 23.198 26.271 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 26.035 24.080 25.944 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 26.714 21.976 28.474 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 25.978 21.230 28.160 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 28.117 21.548 28.106 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 28.830 22.260 28.134 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 28.433 20.241 27.913 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 27.608 19.317 28.013 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 29.845 20.084 27.432 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 30.563 20.779 27.843 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 30.118 19.083 27.765 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 29.898 20.170 26.351 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 24.850 25.358 27.664 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 23.691 25.583 26.848 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 22.848 25.326 27.483 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 23.684 24.739 25.578 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 22.448 24.923 24.743 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 21.616 24.614 25.380 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 22.483 24.066 23.470 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 21.545 24.272 22.969 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 22.548 23.025 23.792 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 23.597 24.453 22.623 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 22.231 26.423 24.363 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 22.985 26.653 23.617 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 20.856 26.476 23.690 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 20.783 27.282 23.164 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 22.314 27.335 25.597 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 21.452 27.173 26.237 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 23.600 27.077 26.467 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 23.596 27.684 27.379 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 24.777 27.468 25.677 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 25.609 27.135 26.010 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 22.251 28.748 25.182 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 23.445 23.656 21.351 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 23.274 22.595 21.513 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 24.812 23.788 20.645 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 25.552 23.414 21.365 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 24.710 22.868 19.569 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 25.568 22.516 19.340 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 25.191 25.153 20.234 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 25.279 25.772 21.128 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 24.038 25.842 19.365 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 23.947 25.315 18.414 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.706 25.716 20.136 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 22.941 26.342 20.996 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 21.529 26.284 19.460 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 20.675 26.300 20.129 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 21.795 27.290 19.115 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 21.208 25.479 18.246 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 22.434 24.246 20.534 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 24.319 27.154 19.011 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 24.863 27.056 18.225 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 26.477 25.094 19.411 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 20.390 26.116 17.225 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 19.496 26.549 17.676 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 19.856 25.014 16.215 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 19.384 24.173 16.741 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 21.043 24.563 15.299 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 21.848 24.057 15.832 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 21.834 25.753 14.608 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 21.130 26.266 13.944 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 22.335 26.754 15.683 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 23.110 26.321 16.316 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 23.066 28.029 15.136 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 23.092 28.841 15.873 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 24.094 27.771 14.881 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.357 28.553 13.993 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 23.006 29.005 13.450 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 21.141 27.152 16.495 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 22.921 25.214 13.798 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 22.587 24.685 13.071 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 20.582 23.488 14.448 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 20.567 22.686 14.976 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 18.695 25.525 15.515 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 18.602 25.049 14.688 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 27.534 26.010 19.854 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 27.101 26.993 19.970 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 28.676 26.145 18.850 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 28.246 26.191 17.848 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 29.619 24.910 18.773 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 29.041 24.077 18.367 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 30.171 24.548 20.179 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 30.655 25.406 20.655 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 28.942 24.217 21.074 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 28.337 23.403 20.674 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 29.333 23.849 22.519 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 30.183 23.171 22.470 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 29.660 24.753 23.026 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 28.263 23.157 23.278 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 28.523 22.258 23.491 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 28.056 25.470 21.139 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 31.078 23.429 20.122 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 31.956 23.833 20.118 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 30.766 25.238 17.926 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 31.241 24.431 17.730 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 29.422 27.333 19.172 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 29.938 27.547 18.404 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 21.595 29.630 26.145 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 20.664 29.116 26.415 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 21.297 30.988 25.488 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 20.819 30.866 24.520 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 22.626 31.741 25.312 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 23.308 31.109 24.731 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 23.385 32.012 26.601 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 22.768 32.674 27.214 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 23.659 30.628 27.234 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 24.316 30.170 26.500 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 24.271 30.689 28.605 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 25.273 31.131 28.631 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 23.682 31.310 29.275 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 24.372 29.322 29.175 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 24.302 29.448 30.122 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 22.368 29.841 27.372 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 24.666 32.623 26.404 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 24.527 33.187 25.632 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 22.347 32.885 24.534 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 21.731 32.591 23.866 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 20.351 31.712 26.298 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 19.471 31.322 26.219 1.00 0.00 H |
| CONECT 1 2 |
| CONECT 2 3 |
| CONECT 3 4 |
| CONECT 3 5 |
| CONECT 3 28 |
| CONECT 5 6 |
| CONECT 5 7 |
| CONECT 5 15 |
| CONECT 7 8 |
| CONECT 7 9 |
| CONECT 9 10 |
| CONECT 9 14 |
| CONECT 10 11 |
| CONECT 10 12 |
| CONECT 10 13 |
| CONECT 15 16 |
| CONECT 15 17 |
| CONECT 15 19 |
| CONECT 17 18 |
| CONECT 19 20 |
| CONECT 19 21 |
| CONECT 19 29 |
| CONECT 21 22 |
| CONECT 21 23 |
| CONECT 21 28 |
| CONECT 23 24 |
| CONECT 23 25 |
| CONECT 23 26 |
| CONECT 26 27 |
| CONECT 29 30 |
| CONECT 30 31 |
| CONECT 30 32 |
| CONECT 30 46 |
| CONECT 32 33 |
| CONECT 33 34 |
| CONECT 33 35 |
| CONECT 33 40 |
| CONECT 35 36 |
| CONECT 35 37 |
| CONECT 35 38 |
| CONECT 38 39 |
| CONECT 40 41 |
| CONECT 40 42 |
| CONECT 40 56 |
| CONECT 42 43 |
| CONECT 42 44 |
| CONECT 42 46 |
| CONECT 44 45 |
| CONECT 46 47 |
| CONECT 46 48 |
| CONECT 48 49 |
| CONECT 48 50 |
| CONECT 50 51 |
| CONECT 50 52 |
| CONECT 52 53 |
| CONECT 52 54 |
| CONECT 52 55 |
| CONECT 56 57 |
| CONECT 57 58 |
| CONECT 57 59 |
| CONECT 57 72 |
| CONECT 59 60 |
| CONECT 60 61 |
| CONECT 60 62 |
| CONECT 60 66 |
| CONECT 62 63 |
| CONECT 62 64 |
| CONECT 62 65 |
| CONECT 65 77 |
| CONECT 66 67 |
| CONECT 66 68 |
| CONECT 66 70 |
| CONECT 68 69 |
| CONECT 70 71 |
| CONECT 70 72 |
| CONECT 70 76 |
| CONECT 72 73 |
| CONECT 72 74 |
| CONECT 74 75 |
| CONECT 76 141 |
| CONECT 77 78 |
| CONECT 77 79 |
| CONECT 77 93 |
| CONECT 79 80 |
| CONECT 79 81 |
| CONECT 79 83 |
| CONECT 81 82 |
| CONECT 83 84 |
| CONECT 83 85 |
| CONECT 83 96 |
| CONECT 85 86 |
| CONECT 85 87 |
| CONECT 85 94 |
| CONECT 87 88 |
| CONECT 87 89 |
| CONECT 87 93 |
| CONECT 89 90 |
| CONECT 89 91 |
| CONECT 89 92 |
| CONECT 92 97 |
| CONECT 94 95 |
| CONECT 96 119 |
| CONECT 97 98 |
| CONECT 97 99 |
| CONECT 97 112 |
| CONECT 99 100 |
| CONECT 99 101 |
| CONECT 99 117 |
| CONECT 101 102 |
| CONECT 101 103 |
| CONECT 101 115 |
| CONECT 103 104 |
| CONECT 103 105 |
| CONECT 103 113 |
| CONECT 105 106 |
| CONECT 105 107 |
| CONECT 105 112 |
| CONECT 107 108 |
| CONECT 107 109 |
| CONECT 107 110 |
| CONECT 110 111 |
| CONECT 113 114 |
| CONECT 115 116 |
| CONECT 117 118 |
| CONECT 119 120 |
| CONECT 119 121 |
| CONECT 119 134 |
| CONECT 121 122 |
| CONECT 121 123 |
| CONECT 121 139 |
| CONECT 123 124 |
| CONECT 123 125 |
| CONECT 123 137 |
| CONECT 125 126 |
| CONECT 125 127 |
| CONECT 125 135 |
| CONECT 127 128 |
| CONECT 127 129 |
| CONECT 127 134 |
| CONECT 129 130 |
| CONECT 129 131 |
| CONECT 129 132 |
| CONECT 132 133 |
| CONECT 135 136 |
| CONECT 137 138 |
| CONECT 139 140 |
| CONECT 141 142 |
| CONECT 141 143 |
| CONECT 141 156 |
| CONECT 143 144 |
| CONECT 143 145 |
| CONECT 143 161 |
| CONECT 145 146 |
| CONECT 145 147 |
| CONECT 145 159 |
| CONECT 147 148 |
| CONECT 147 149 |
| CONECT 147 157 |
| CONECT 149 150 |
| CONECT 149 151 |
| CONECT 149 156 |
| CONECT 151 152 |
| CONECT 151 153 |
| CONECT 151 154 |
| CONECT 154 155 |
| CONECT 157 158 |
| CONECT 159 160 |
| CONECT 161 162 |
| ENDMDL |
| MODEL 2 |
| ATOM 1 HO1 ROH X 1 33.570 21.353 30.387 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 33.028 21.903 30.975 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 31.719 21.565 30.619 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 31.529 20.547 30.979 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 30.698 22.605 31.255 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 31.156 23.569 31.048 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 30.621 22.472 32.745 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 29.749 22.255 33.207 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 31.631 22.738 33.595 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 31.282 22.626 35.117 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 30.539 21.882 35.394 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 32.172 22.491 35.726 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 30.954 23.632 35.342 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 32.779 23.041 33.136 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 29.290 22.570 30.661 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 28.853 21.726 31.186 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 28.574 23.603 31.181 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 27.716 23.588 30.742 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 29.175 22.398 29.132 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 29.491 23.361 28.740 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 30.229 21.357 28.595 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 29.887 20.377 28.944 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 30.282 21.256 27.081 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 29.333 20.831 26.749 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 31.100 20.542 26.926 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 30.396 22.533 26.469 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 30.433 22.485 25.512 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 31.598 21.608 29.186 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 27.850 21.966 28.677 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 26.851 23.038 28.430 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 27.198 23.866 27.819 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 26.277 23.497 29.732 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 25.135 24.427 29.759 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 25.496 25.427 29.543 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 24.421 24.501 31.109 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 23.522 25.122 31.058 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 25.107 24.968 31.815 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 24.113 23.231 31.701 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 24.910 22.820 32.036 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.124 24.002 28.726 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 23.459 23.182 28.986 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 24.774 23.683 27.387 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.378 24.518 27.057 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.736 23.330 26.452 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 23.086 24.030 26.588 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 25.746 22.485 27.536 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 25.156 21.769 28.097 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 26.288 21.957 26.251 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 26.386 22.669 25.546 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 26.549 20.775 25.925 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 26.341 19.939 26.786 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 27.340 20.555 24.646 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 27.893 19.622 24.676 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 26.552 20.464 23.900 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 28.041 21.375 24.486 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 23.297 25.234 28.518 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 21.849 25.042 28.479 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 21.581 24.142 29.038 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 21.401 24.763 27.055 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 19.940 24.538 26.949 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 19.717 23.632 27.504 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 19.623 24.192 25.489 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 19.781 25.009 24.797 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 18.584 23.890 25.377 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 20.439 23.025 25.057 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 19.227 25.783 27.568 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 19.426 26.548 26.827 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 17.790 25.442 27.568 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 17.280 26.170 27.204 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 19.609 26.127 29.069 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 19.307 25.312 29.728 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 21.130 26.229 29.121 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 21.439 26.263 30.166 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 21.514 27.496 28.527 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 22.250 27.871 29.008 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 18.926 27.395 29.382 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 20.274 22.731 23.609 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 19.220 22.629 23.359 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 21.010 21.386 23.314 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 20.744 20.711 24.131 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 20.638 20.809 21.997 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 21.436 20.403 21.648 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 22.513 21.557 23.327 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 22.830 21.711 24.354 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 23.016 22.714 22.451 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 22.830 22.473 21.405 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.317 24.070 22.886 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 22.568 24.191 23.941 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 22.619 25.296 22.051 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 21.919 26.078 22.335 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 23.639 25.578 22.274 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 22.391 25.064 20.596 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 20.847 23.831 22.793 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 24.433 22.830 22.564 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 24.783 22.160 21.978 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 23.056 20.307 22.883 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.178 25.841 19.671 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 22.981 26.841 20.037 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 22.691 25.642 18.153 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 21.610 25.581 18.036 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 23.148 24.299 17.655 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 22.725 23.582 18.355 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 24.723 24.089 17.759 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 25.259 24.643 17.001 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 25.212 24.415 19.210 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.787 23.636 19.848 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 26.730 24.368 19.376 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 26.964 24.562 20.428 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 27.081 23.367 19.153 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 27.422 25.248 18.446 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 28.348 25.084 18.646 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 24.611 25.560 19.819 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.944 22.721 17.574 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 24.226 22.335 17.064 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 22.731 24.043 16.266 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 21.849 23.664 16.400 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 23.205 26.717 17.252 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 22.921 26.458 16.374 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 23.734 19.446 23.911 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.427 20.065 24.468 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 24.496 18.304 23.227 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 25.115 18.613 22.374 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 23.405 17.389 22.726 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 22.816 17.892 21.962 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 22.526 16.695 23.819 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 23.186 16.168 24.512 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 21.797 17.806 24.576 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 21.054 18.201 23.883 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 21.083 17.394 25.873 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 20.556 18.242 26.317 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 20.382 16.570 25.725 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 22.112 16.825 26.787 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 22.855 17.433 26.868 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 22.796 18.871 24.952 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 21.566 15.839 23.191 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 21.637 14.989 23.625 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 23.978 16.186 21.996 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 23.240 15.580 21.906 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 25.395 17.658 24.211 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.746 16.860 23.812 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 18.377 27.410 30.741 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 17.792 26.493 30.882 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 17.423 28.641 30.991 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 16.657 28.589 30.225 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 18.333 29.851 31.052 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 18.699 29.976 30.040 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 19.527 29.757 32.083 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.129 29.812 33.093 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 20.308 28.470 31.856 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 20.827 28.456 30.897 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 21.230 28.232 33.040 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 21.582 27.209 32.927 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 22.069 28.922 32.988 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 20.625 28.272 34.323 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 21.272 28.118 35.008 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 19.421 27.276 31.777 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 20.447 30.897 31.897 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 20.028 31.613 32.373 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 17.579 31.052 31.234 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 16.780 31.008 30.715 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 16.732 28.394 32.270 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 16.023 29.031 32.376 1.00 0.00 H |
| CONECT 1 2 |
| CONECT 2 3 |
| CONECT 3 4 |
| CONECT 3 5 |
| CONECT 3 28 |
| CONECT 5 6 |
| CONECT 5 7 |
| CONECT 5 15 |
| CONECT 7 8 |
| CONECT 7 9 |
| CONECT 9 10 |
| CONECT 9 14 |
| CONECT 10 11 |
| CONECT 10 12 |
| CONECT 10 13 |
| CONECT 15 16 |
| CONECT 15 17 |
| CONECT 15 19 |
| CONECT 17 18 |
| CONECT 19 20 |
| CONECT 19 21 |
| CONECT 19 29 |
| CONECT 21 22 |
| CONECT 21 23 |
| CONECT 21 28 |
| CONECT 23 24 |
| CONECT 23 25 |
| CONECT 23 26 |
| CONECT 26 27 |
| CONECT 29 30 |
| CONECT 30 31 |
| CONECT 30 32 |
| CONECT 30 46 |
| CONECT 32 33 |
| CONECT 33 34 |
| CONECT 33 35 |
| CONECT 33 40 |
| CONECT 35 36 |
| CONECT 35 37 |
| CONECT 35 38 |
| CONECT 38 39 |
| CONECT 40 41 |
| CONECT 40 42 |
| CONECT 40 56 |
| CONECT 42 43 |
| CONECT 42 44 |
| CONECT 42 46 |
| CONECT 44 45 |
| CONECT 46 47 |
| CONECT 46 48 |
| CONECT 48 49 |
| CONECT 48 50 |
| CONECT 50 51 |
| CONECT 50 52 |
| CONECT 52 53 |
| CONECT 52 54 |
| CONECT 52 55 |
| CONECT 56 57 |
| CONECT 57 58 |
| CONECT 57 59 |
| CONECT 57 72 |
| CONECT 59 60 |
| CONECT 60 61 |
| CONECT 60 62 |
| CONECT 60 66 |
| CONECT 62 63 |
| CONECT 62 64 |
| CONECT 62 65 |
| CONECT 65 77 |
| CONECT 66 67 |
| CONECT 66 68 |
| CONECT 66 70 |
| CONECT 68 69 |
| CONECT 70 71 |
| CONECT 70 72 |
| CONECT 70 76 |
| CONECT 72 73 |
| CONECT 72 74 |
| CONECT 74 75 |
| CONECT 76 141 |
| CONECT 77 78 |
| CONECT 77 79 |
| CONECT 77 93 |
| CONECT 79 80 |
| CONECT 79 81 |
| CONECT 79 83 |
| CONECT 81 82 |
| CONECT 83 84 |
| CONECT 83 85 |
| CONECT 83 96 |
| CONECT 85 86 |
| CONECT 85 87 |
| CONECT 85 94 |
| CONECT 87 88 |
| CONECT 87 89 |
| CONECT 87 93 |
| CONECT 89 90 |
| CONECT 89 91 |
| CONECT 89 92 |
| CONECT 92 97 |
| CONECT 94 95 |
| CONECT 96 119 |
| CONECT 97 98 |
| CONECT 97 99 |
| CONECT 97 112 |
| CONECT 99 100 |
| CONECT 99 101 |
| CONECT 99 117 |
| CONECT 101 102 |
| CONECT 101 103 |
| CONECT 101 115 |
| CONECT 103 104 |
| CONECT 103 105 |
| CONECT 103 113 |
| CONECT 105 106 |
| CONECT 105 107 |
| CONECT 105 112 |
| CONECT 107 108 |
| CONECT 107 109 |
| CONECT 107 110 |
| CONECT 110 111 |
| CONECT 113 114 |
| CONECT 115 116 |
| CONECT 117 118 |
| CONECT 119 120 |
| CONECT 119 121 |
| CONECT 119 134 |
| CONECT 121 122 |
| CONECT 121 123 |
| CONECT 121 139 |
| CONECT 123 124 |
| CONECT 123 125 |
| CONECT 123 137 |
| CONECT 125 126 |
| CONECT 125 127 |
| CONECT 125 135 |
| CONECT 127 128 |
| CONECT 127 129 |
| CONECT 127 134 |
| CONECT 129 130 |
| CONECT 129 131 |
| CONECT 129 132 |
| CONECT 132 133 |
| CONECT 135 136 |
| CONECT 137 138 |
| CONECT 139 140 |
| CONECT 141 142 |
| CONECT 141 143 |
| CONECT 141 156 |
| CONECT 143 144 |
| CONECT 143 145 |
| CONECT 143 161 |
| CONECT 145 146 |
| CONECT 145 147 |
| CONECT 145 159 |
| CONECT 147 148 |
| CONECT 147 149 |
| CONECT 147 157 |
| CONECT 149 150 |
| CONECT 149 151 |
| CONECT 149 156 |
| CONECT 151 152 |
| CONECT 151 153 |
| CONECT 151 154 |
| CONECT 154 155 |
| CONECT 157 158 |
| CONECT 159 160 |
| CONECT 161 162 |
| ENDMDL |
| MODEL 3 |
| ATOM 1 HO1 ROH X 1 27.657 15.092 31.905 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 27.731 15.843 32.503 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 26.932 16.768 31.815 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 25.915 16.425 32.005 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 27.181 18.197 32.330 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 28.241 18.412 32.199 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 26.942 18.226 33.821 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 25.973 18.130 34.107 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 27.849 18.561 34.745 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 27.288 18.884 36.102 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 27.084 19.948 36.122 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 26.435 18.255 36.388 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 28.061 18.691 36.846 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 29.003 18.842 34.390 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 26.451 19.234 31.567 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 25.412 19.115 31.870 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 26.947 20.493 31.928 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 26.602 21.154 31.325 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 26.650 19.095 30.063 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 27.658 19.414 29.804 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 26.556 17.678 29.518 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 25.495 17.425 29.599 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 26.873 17.539 28.050 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 26.268 18.154 27.381 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 26.884 16.502 27.689 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 28.246 18.050 27.800 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 28.767 17.253 27.660 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 27.208 16.608 30.367 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 25.541 19.877 29.439 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 25.922 21.267 28.921 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 26.891 21.332 28.415 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 25.907 22.202 30.036 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 26.294 23.609 29.621 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 27.221 23.565 29.039 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 26.539 24.545 30.824 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 26.937 25.444 30.358 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 27.227 24.083 31.543 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 25.321 24.873 31.540 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 25.350 25.754 31.912 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 25.220 24.147 28.631 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 24.300 24.257 29.201 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 25.040 23.150 27.435 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.935 23.265 26.829 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.844 23.589 26.677 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 24.026 24.520 26.528 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 24.872 21.651 27.848 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 23.838 21.658 28.183 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 25.081 20.824 26.648 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 25.913 21.010 26.100 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 24.109 20.108 26.097 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 22.989 20.034 26.605 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 24.417 19.319 24.899 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 25.382 18.846 25.103 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 23.663 18.529 24.830 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 24.340 20.022 24.073 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 25.746 25.535 28.181 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 24.706 26.493 28.162 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 24.214 26.446 29.140 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 23.724 26.266 27.114 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 22.628 27.243 26.891 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 21.899 27.129 27.697 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 21.887 26.901 25.454 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 21.044 27.563 25.267 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 21.485 25.899 25.296 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 22.872 27.260 24.444 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 23.212 28.678 26.992 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 23.722 28.937 26.057 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 22.029 29.593 27.095 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 21.800 29.974 26.244 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 24.221 28.965 28.100 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 23.805 28.928 29.110 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 25.322 27.930 28.087 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 25.958 28.095 28.964 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 26.134 28.046 26.938 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 26.296 28.949 26.655 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 24.850 30.274 27.859 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 23.636 26.135 23.785 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 23.945 25.429 24.544 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 24.856 26.709 23.024 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 25.349 27.389 23.717 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 25.779 25.619 22.609 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 26.621 25.952 22.284 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 24.259 27.510 21.842 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 23.633 28.346 22.165 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 23.396 26.656 20.919 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 24.008 25.857 20.516 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.182 26.088 21.703 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 21.451 26.827 22.027 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 21.277 25.096 20.878 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 20.598 24.484 21.466 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 20.572 25.648 20.240 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 22.062 24.204 19.979 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 22.761 25.401 22.869 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 22.843 27.552 19.878 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 23.493 27.465 19.187 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 25.370 28.156 21.094 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 22.496 22.853 20.494 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 22.001 22.737 21.448 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 23.976 22.846 20.705 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 24.230 23.696 21.336 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 24.658 23.047 19.324 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 24.176 23.942 18.936 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 24.275 21.898 18.400 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 24.623 20.934 18.778 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 22.739 21.781 18.225 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 22.435 22.746 17.816 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 22.253 20.704 17.264 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 21.166 20.764 17.176 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 22.601 20.934 16.258 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.591 19.369 17.568 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 22.260 18.815 16.860 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 22.096 21.734 19.595 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.884 22.019 17.093 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 25.721 22.496 17.102 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 26.102 23.202 19.479 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 26.481 22.328 19.550 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 24.466 21.585 21.288 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 24.070 21.504 22.158 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 25.320 29.663 20.967 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.308 30.024 20.814 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 26.268 29.896 19.778 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 26.126 29.131 19.013 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 27.757 29.656 20.326 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 27.830 28.592 20.535 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 28.044 30.449 21.619 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 27.748 31.498 21.583 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 27.081 30.001 22.743 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 27.143 28.921 22.899 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 27.272 30.693 24.135 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 28.258 30.581 24.576 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 27.215 31.774 24.029 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 26.341 30.073 25.051 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 25.600 30.666 25.155 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 25.755 30.287 22.243 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 29.404 30.306 22.078 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 29.816 31.159 22.175 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 28.749 29.915 19.253 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 28.375 29.570 18.438 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 26.002 31.218 19.228 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.310 31.181 18.563 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 25.234 31.004 29.056 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 24.436 30.878 29.780 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 25.401 32.546 28.700 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 24.561 32.925 28.131 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 26.606 32.747 27.752 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 26.433 32.298 26.775 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 27.892 32.080 28.347 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 28.157 32.694 29.214 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 27.711 30.598 28.782 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 27.549 30.044 27.850 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 28.978 30.008 29.479 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 28.820 28.932 29.603 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 29.776 30.035 28.740 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 29.584 30.650 30.581 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 30.236 31.282 30.281 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 26.479 30.484 29.645 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 28.949 32.208 27.336 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 29.088 33.154 27.205 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 26.851 34.120 27.374 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 26.757 34.249 26.426 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 25.608 33.342 29.915 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 25.902 34.213 29.640 1.00 0.00 H |
| CONECT 1 2 |
| CONECT 2 3 |
| CONECT 3 4 |
| CONECT 3 5 |
| CONECT 3 28 |
| CONECT 5 6 |
| CONECT 5 7 |
| CONECT 5 15 |
| CONECT 7 8 |
| CONECT 7 9 |
| CONECT 9 10 |
| CONECT 9 14 |
| CONECT 10 11 |
| CONECT 10 12 |
| CONECT 10 13 |
| CONECT 15 16 |
| CONECT 15 17 |
| CONECT 15 19 |
| CONECT 17 18 |
| CONECT 19 20 |
| CONECT 19 21 |
| CONECT 19 29 |
| CONECT 21 22 |
| CONECT 21 23 |
| CONECT 21 28 |
| CONECT 23 24 |
| CONECT 23 25 |
| CONECT 23 26 |
| CONECT 26 27 |
| CONECT 29 30 |
| CONECT 30 31 |
| CONECT 30 32 |
| CONECT 30 46 |
| CONECT 32 33 |
| CONECT 33 34 |
| CONECT 33 35 |
| CONECT 33 40 |
| CONECT 35 36 |
| CONECT 35 37 |
| CONECT 35 38 |
| CONECT 38 39 |
| CONECT 40 41 |
| CONECT 40 42 |
| CONECT 40 56 |
| CONECT 42 43 |
| CONECT 42 44 |
| CONECT 42 46 |
| CONECT 44 45 |
| CONECT 46 47 |
| CONECT 46 48 |
| CONECT 48 49 |
| CONECT 48 50 |
| CONECT 50 51 |
| CONECT 50 52 |
| CONECT 52 53 |
| CONECT 52 54 |
| CONECT 52 55 |
| CONECT 56 57 |
| CONECT 57 58 |
| CONECT 57 59 |
| CONECT 57 72 |
| CONECT 59 60 |
| CONECT 60 61 |
| CONECT 60 62 |
| CONECT 60 66 |
| CONECT 62 63 |
| CONECT 62 64 |
| CONECT 62 65 |
| CONECT 65 77 |
| CONECT 66 67 |
| CONECT 66 68 |
| CONECT 66 70 |
| CONECT 68 69 |
| CONECT 70 71 |
| CONECT 70 72 |
| CONECT 70 76 |
| CONECT 72 73 |
| CONECT 72 74 |
| CONECT 74 75 |
| CONECT 76 141 |
| CONECT 77 78 |
| CONECT 77 79 |
| CONECT 77 93 |
| CONECT 79 80 |
| CONECT 79 81 |
| CONECT 79 83 |
| CONECT 81 82 |
| CONECT 83 84 |
| CONECT 83 85 |
| CONECT 83 96 |
| CONECT 85 86 |
| CONECT 85 87 |
| CONECT 85 94 |
| CONECT 87 88 |
| CONECT 87 89 |
| CONECT 87 93 |
| CONECT 89 90 |
| CONECT 89 91 |
| CONECT 89 92 |
| CONECT 92 97 |
| CONECT 94 95 |
| CONECT 96 119 |
| CONECT 97 98 |
| CONECT 97 99 |
| CONECT 97 112 |
| CONECT 99 100 |
| CONECT 99 101 |
| CONECT 99 117 |
| CONECT 101 102 |
| CONECT 101 103 |
| CONECT 101 115 |
| CONECT 103 104 |
| CONECT 103 105 |
| CONECT 103 113 |
| CONECT 105 106 |
| CONECT 105 107 |
| CONECT 105 112 |
| CONECT 107 108 |
| CONECT 107 109 |
| CONECT 107 110 |
| CONECT 110 111 |
| CONECT 113 114 |
| CONECT 115 116 |
| CONECT 117 118 |
| CONECT 119 120 |
| CONECT 119 121 |
| CONECT 119 134 |
| CONECT 121 122 |
| CONECT 121 123 |
| CONECT 121 139 |
| CONECT 123 124 |
| CONECT 123 125 |
| CONECT 123 137 |
| CONECT 125 126 |
| CONECT 125 127 |
| CONECT 125 135 |
| CONECT 127 128 |
| CONECT 127 129 |
| CONECT 127 134 |
| CONECT 129 130 |
| CONECT 129 131 |
| CONECT 129 132 |
| CONECT 132 133 |
| CONECT 135 136 |
| CONECT 137 138 |
| CONECT 139 140 |
| CONECT 141 142 |
| CONECT 141 143 |
| CONECT 141 156 |
| CONECT 143 144 |
| CONECT 143 145 |
| CONECT 143 161 |
| CONECT 145 146 |
| CONECT 145 147 |
| CONECT 145 159 |
| CONECT 147 148 |
| CONECT 147 149 |
| CONECT 147 157 |
| CONECT 149 150 |
| CONECT 149 151 |
| CONECT 149 156 |
| CONECT 151 152 |
| CONECT 151 153 |
| CONECT 151 154 |
| CONECT 154 155 |
| CONECT 157 158 |
| CONECT 159 160 |
| CONECT 161 162 |
| ENDMDL |
| MODEL 4 |
| ATOM 1 HO1 ROH X 1 23.345 14.797 29.408 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 22.587 15.372 29.293 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 23.314 16.446 28.588 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 23.597 16.193 27.562 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 22.368 17.694 28.684 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 22.313 17.846 29.766 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 20.974 17.488 28.123 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 20.877 17.723 27.149 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 19.888 17.139 28.813 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 18.647 17.007 27.955 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 18.196 17.989 27.929 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 18.849 16.679 26.934 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 17.935 16.330 28.427 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 20.006 16.863 30.032 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 23.084 18.908 28.056 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 23.281 18.683 27.009 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 22.257 20.105 28.257 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 22.812 20.884 28.153 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 24.409 19.167 28.777 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 24.243 19.445 29.822 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 25.345 17.921 28.796 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 25.646 17.745 27.760 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 26.615 18.256 29.591 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 27.177 19.031 29.070 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 27.390 17.481 29.612 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 26.363 18.723 30.953 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 27.175 18.566 31.438 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 24.588 16.645 29.289 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 25.085 20.304 28.039 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 25.014 21.606 28.628 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 25.080 21.505 29.710 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 23.818 22.306 28.221 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 23.553 23.589 28.938 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 23.584 23.361 30.006 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 22.085 24.054 28.597 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 21.902 25.040 29.025 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 21.323 23.372 28.967 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 21.919 24.246 27.228 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 21.642 23.434 26.806 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.670 24.592 28.565 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 24.764 24.842 27.505 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 26.026 23.952 28.828 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 26.198 23.877 29.900 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 27.090 24.744 28.332 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 26.719 25.489 27.859 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 26.223 22.477 28.228 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 26.167 22.506 27.141 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 27.388 21.838 28.783 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 27.570 21.655 29.754 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 28.352 21.316 27.982 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 28.284 21.256 26.750 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 29.583 20.854 28.821 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 29.445 19.822 29.142 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 30.431 20.906 28.145 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 29.716 21.583 29.624 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 24.453 25.779 29.374 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 24.306 27.005 28.531 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 23.694 26.700 27.690 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 25.655 27.293 27.917 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 25.800 28.474 26.941 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 25.242 28.245 26.036 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 27.256 28.799 26.548 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 27.982 28.667 27.357 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 27.236 29.838 26.247 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 27.661 27.934 25.399 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 25.106 29.662 27.615 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 25.813 30.028 28.357 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 24.900 30.685 26.616 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 25.549 31.372 26.788 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 23.733 29.425 28.253 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 22.994 29.293 27.464 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 23.748 28.219 29.237 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 22.725 28.001 29.544 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 24.555 28.453 30.467 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 24.264 27.811 31.119 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 23.338 30.676 29.040 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 27.901 26.576 25.762 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 28.424 26.521 26.710 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 28.821 25.965 24.682 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 29.716 26.575 24.599 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 29.332 24.682 25.059 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 30.299 24.751 25.104 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 28.197 25.832 23.310 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 27.947 26.830 22.945 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 26.934 25.037 23.537 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 27.256 24.025 23.799 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 25.938 25.699 24.533 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 25.779 26.732 24.244 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 24.648 24.988 24.715 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 24.095 25.350 25.590 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 24.006 25.078 23.843 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 24.906 23.544 24.879 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 26.654 25.859 25.822 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 26.247 24.926 22.310 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 26.552 24.122 21.894 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 29.080 25.144 22.423 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.662 22.774 24.716 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 23.032 23.148 25.528 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 23.982 21.255 24.705 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 24.727 21.008 25.455 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 24.627 20.864 23.378 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 25.551 21.444 23.350 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 23.645 21.221 22.177 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 22.700 20.698 22.300 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 23.269 22.741 22.232 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.233 23.232 22.075 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 22.112 23.167 21.246 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 22.186 22.639 20.287 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 21.149 22.872 21.667 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.214 24.579 20.994 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 21.741 24.746 20.178 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 22.849 23.138 23.585 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.278 20.876 20.919 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 24.450 19.931 20.970 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 24.947 19.393 23.350 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 25.834 19.304 23.696 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 22.737 20.492 24.949 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 22.942 19.565 24.842 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 29.388 25.858 21.174 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 28.492 26.265 20.696 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 30.145 24.884 20.142 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 29.521 23.982 20.144 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 31.586 24.508 20.621 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 31.523 24.072 21.616 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 32.310 25.835 20.653 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 32.293 26.262 19.650 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 31.711 26.797 21.731 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 31.706 26.355 22.732 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 32.403 28.157 21.860 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 31.744 28.790 22.451 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 33.395 28.201 22.297 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 32.611 28.708 20.509 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 33.282 28.273 19.984 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 30.253 26.997 21.479 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 33.694 25.619 21.232 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 34.164 25.023 20.645 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 32.216 23.571 19.697 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 32.062 22.735 20.139 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 30.137 25.460 18.785 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 30.217 24.712 18.186 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 21.961 31.153 29.045 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 21.709 31.272 27.994 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 21.912 32.450 29.839 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 22.691 33.188 29.641 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 22.070 32.124 31.383 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 22.970 31.531 31.561 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 20.862 31.243 31.856 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.924 31.769 31.686 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 21.005 29.950 31.071 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 21.907 29.433 31.392 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 19.939 28.822 31.333 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 20.053 27.992 30.638 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 20.035 28.398 32.336 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 18.587 29.327 31.183 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 18.667 29.719 30.309 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 21.029 30.207 29.572 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 21.089 30.883 33.198 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 20.495 31.475 33.670 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 22.050 33.336 32.164 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 22.966 33.617 32.167 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 20.641 33.187 29.691 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 20.802 33.882 30.344 1.00 0.00 H |
| CONECT 1 2 |
| CONECT 2 3 |
| CONECT 3 4 |
| CONECT 3 5 |
| CONECT 3 28 |
| CONECT 5 6 |
| CONECT 5 7 |
| CONECT 5 15 |
| CONECT 7 8 |
| CONECT 7 9 |
| CONECT 9 10 |
| CONECT 9 14 |
| CONECT 10 11 |
| CONECT 10 12 |
| CONECT 10 13 |
| CONECT 15 16 |
| CONECT 15 17 |
| CONECT 15 19 |
| CONECT 17 18 |
| CONECT 19 20 |
| CONECT 19 21 |
| CONECT 19 29 |
| CONECT 21 22 |
| CONECT 21 23 |
| CONECT 21 28 |
| CONECT 23 24 |
| CONECT 23 25 |
| CONECT 23 26 |
| CONECT 26 27 |
| CONECT 29 30 |
| CONECT 30 31 |
| CONECT 30 32 |
| CONECT 30 46 |
| CONECT 32 33 |
| CONECT 33 34 |
| CONECT 33 35 |
| CONECT 33 40 |
| CONECT 35 36 |
| CONECT 35 37 |
| CONECT 35 38 |
| CONECT 38 39 |
| CONECT 40 41 |
| CONECT 40 42 |
| CONECT 40 56 |
| CONECT 42 43 |
| CONECT 42 44 |
| CONECT 42 46 |
| CONECT 44 45 |
| CONECT 46 47 |
| CONECT 46 48 |
| CONECT 48 49 |
| CONECT 48 50 |
| CONECT 50 51 |
| CONECT 50 52 |
| CONECT 52 53 |
| CONECT 52 54 |
| CONECT 52 55 |
| CONECT 56 57 |
| CONECT 57 58 |
| CONECT 57 59 |
| CONECT 57 72 |
| CONECT 59 60 |
| CONECT 60 61 |
| CONECT 60 62 |
| CONECT 60 66 |
| CONECT 62 63 |
| CONECT 62 64 |
| CONECT 62 65 |
| CONECT 65 77 |
| CONECT 66 67 |
| CONECT 66 68 |
| CONECT 66 70 |
| CONECT 68 69 |
| CONECT 70 71 |
| CONECT 70 72 |
| CONECT 70 76 |
| CONECT 72 73 |
| CONECT 72 74 |
| CONECT 74 75 |
| CONECT 76 141 |
| CONECT 77 78 |
| CONECT 77 79 |
| CONECT 77 93 |
| CONECT 79 80 |
| CONECT 79 81 |
| CONECT 79 83 |
| CONECT 81 82 |
| CONECT 83 84 |
| CONECT 83 85 |
| CONECT 83 96 |
| CONECT 85 86 |
| CONECT 85 87 |
| CONECT 85 94 |
| CONECT 87 88 |
| CONECT 87 89 |
| CONECT 87 93 |
| CONECT 89 90 |
| CONECT 89 91 |
| CONECT 89 92 |
| CONECT 92 97 |
| CONECT 94 95 |
| CONECT 96 119 |
| CONECT 97 98 |
| CONECT 97 99 |
| CONECT 97 112 |
| CONECT 99 100 |
| CONECT 99 101 |
| CONECT 99 117 |
| CONECT 101 102 |
| CONECT 101 103 |
| CONECT 101 115 |
| CONECT 103 104 |
| CONECT 103 105 |
| CONECT 103 113 |
| CONECT 105 106 |
| CONECT 105 107 |
| CONECT 105 112 |
| CONECT 107 108 |
| CONECT 107 109 |
| CONECT 107 110 |
| CONECT 110 111 |
| CONECT 113 114 |
| CONECT 115 116 |
| CONECT 117 118 |
| CONECT 119 120 |
| CONECT 119 121 |
| CONECT 119 134 |
| CONECT 121 122 |
| CONECT 121 123 |
| CONECT 121 139 |
| CONECT 123 124 |
| CONECT 123 125 |
| CONECT 123 137 |
| CONECT 125 126 |
| CONECT 125 127 |
| CONECT 125 135 |
| CONECT 127 128 |
| CONECT 127 129 |
| CONECT 127 134 |
| CONECT 129 130 |
| CONECT 129 131 |
| CONECT 129 132 |
| CONECT 132 133 |
| CONECT 135 136 |
| CONECT 137 138 |
| CONECT 139 140 |
| CONECT 141 142 |
| CONECT 141 143 |
| CONECT 141 156 |
| CONECT 143 144 |
| CONECT 143 145 |
| CONECT 143 161 |
| CONECT 145 146 |
| CONECT 145 147 |
| CONECT 145 159 |
| CONECT 147 148 |
| CONECT 147 149 |
| CONECT 147 157 |
| CONECT 149 150 |
| CONECT 149 151 |
| CONECT 149 156 |
| CONECT 151 152 |
| CONECT 151 153 |
| CONECT 151 154 |
| CONECT 154 155 |
| CONECT 157 158 |
| CONECT 159 160 |
| CONECT 161 162 |
| ENDMDL |
| MODEL 5 |
| ATOM 1 HO1 ROH X 1 32.090 20.131 31.333 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 32.121 20.935 31.864 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 30.876 20.877 31.159 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 30.235 20.099 31.581 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 30.367 22.325 31.497 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 31.061 23.071 31.107 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 30.282 22.538 32.975 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 29.779 21.925 33.596 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 31.318 23.138 33.567 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 31.520 22.771 35.072 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 31.911 23.628 35.616 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 30.519 22.461 35.379 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 32.312 22.032 35.218 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 32.167 23.771 32.974 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 28.979 22.559 30.798 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 28.201 21.956 31.259 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 28.650 23.965 30.930 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 28.071 24.104 31.685 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 28.957 22.173 29.261 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 29.484 22.965 28.725 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 29.571 20.731 29.045 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 28.943 19.981 29.545 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 29.745 20.456 27.559 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 28.736 20.533 27.156 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 30.226 19.487 27.405 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 30.568 21.509 27.045 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 31.165 21.044 26.454 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 30.976 20.666 29.699 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 27.556 22.107 28.773 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 26.902 23.339 28.374 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 27.641 24.053 28.030 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 26.146 23.924 29.521 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 25.343 25.149 29.214 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 26.040 25.922 28.880 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 24.602 25.672 30.503 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 23.970 26.517 30.263 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 25.323 25.945 31.274 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 23.716 24.595 30.962 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 22.968 24.980 31.424 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.325 24.781 28.118 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 23.553 24.133 28.538 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 24.887 24.170 26.829 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.280 24.929 26.150 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.829 23.628 25.985 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 23.128 24.290 25.991 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 25.927 23.051 27.132 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 25.383 22.146 27.365 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 26.741 22.776 25.947 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 27.000 23.549 25.340 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 27.040 21.602 25.422 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 26.633 20.525 25.932 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 28.034 21.648 24.185 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 28.740 22.472 24.247 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 28.542 20.696 24.006 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 27.494 21.789 23.240 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 23.727 26.074 27.743 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 22.217 25.979 27.899 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 21.999 25.459 28.828 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 21.717 25.110 26.715 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 20.203 25.064 26.563 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 19.755 24.481 27.368 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 19.787 24.202 25.399 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 20.247 24.550 24.475 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 18.710 24.312 25.289 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 20.289 22.852 25.690 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 19.530 26.377 26.686 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 19.723 26.886 25.737 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 18.135 26.122 26.879 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 17.578 26.868 26.622 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 20.067 27.193 27.842 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 19.853 26.648 28.760 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 21.605 27.351 27.762 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 21.898 27.941 28.631 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 21.978 28.103 26.500 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 22.400 28.945 26.670 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 19.399 28.607 27.824 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 20.037 21.924 24.583 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 18.963 21.798 24.500 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 20.817 20.556 24.848 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 20.385 20.063 25.718 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 20.598 19.672 23.711 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 20.815 18.812 24.081 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 22.342 20.750 24.930 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 22.539 21.448 25.745 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 22.893 21.519 23.633 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 22.975 20.875 22.758 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.018 22.726 23.131 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 22.221 23.593 23.752 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 22.195 22.980 21.631 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 21.796 22.137 21.069 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 21.576 23.816 21.300 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 23.579 23.144 21.294 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 20.563 22.392 23.301 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 24.280 21.954 23.894 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 24.212 22.589 24.612 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 22.947 19.491 25.320 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.961 24.518 20.949 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 23.448 24.813 20.025 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 25.426 24.552 20.599 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 25.751 23.646 20.090 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 26.316 24.575 21.878 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 26.204 23.613 22.386 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 26.119 25.711 22.895 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 26.431 26.669 22.481 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 24.595 25.574 23.274 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.413 24.678 23.866 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 24.188 26.681 24.198 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 24.755 26.714 25.126 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 24.251 27.650 23.723 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.835 26.364 24.548 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 22.588 26.869 25.321 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 23.742 25.480 22.005 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 26.905 25.478 24.076 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 27.764 25.154 23.800 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 27.715 24.533 21.480 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 27.890 23.597 21.331 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 25.675 25.763 19.783 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 26.602 25.834 19.542 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 23.416 19.290 26.678 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.063 20.109 27.005 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 24.374 18.083 26.858 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 25.120 17.927 26.081 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 23.486 16.834 26.925 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 23.281 16.612 25.878 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 22.181 16.829 27.800 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 22.524 16.743 28.823 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 21.387 18.133 27.593 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 20.820 18.102 26.665 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 20.379 18.255 28.764 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 19.760 17.372 28.894 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 20.901 18.384 29.708 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 19.525 19.452 28.512 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 20.108 20.215 28.560 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 22.308 19.288 27.631 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 21.280 15.763 27.560 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 21.374 15.105 28.251 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 24.313 15.692 27.234 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 24.433 15.610 28.188 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 25.088 18.235 28.124 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.876 17.694 28.001 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 18.604 28.962 29.001 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 17.751 28.292 29.059 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 18.065 30.394 28.755 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 17.462 30.493 27.843 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 19.165 31.438 28.705 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 19.870 31.259 27.900 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 19.980 31.433 30.064 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.319 31.878 30.802 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 20.487 29.967 30.397 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 21.280 29.712 29.709 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 21.128 29.807 31.798 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 21.369 28.790 32.123 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 21.985 30.449 31.960 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 20.104 30.255 32.742 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 19.420 29.587 32.662 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 19.398 28.895 30.205 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 21.182 32.227 29.973 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 21.135 32.700 29.140 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 18.617 32.726 28.536 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 17.924 32.858 29.187 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 17.140 30.744 29.848 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 16.395 31.234 29.497 1.00 0.00 H |
| CONECT 1 2 |
| CONECT 2 3 |
| CONECT 3 4 |
| CONECT 3 5 |
| CONECT 3 28 |
| CONECT 5 6 |
| CONECT 5 7 |
| CONECT 5 15 |
| CONECT 7 8 |
| CONECT 7 9 |
| CONECT 9 10 |
| CONECT 9 14 |
| CONECT 10 11 |
| CONECT 10 12 |
| CONECT 10 13 |
| CONECT 15 16 |
| CONECT 15 17 |
| CONECT 15 19 |
| CONECT 17 18 |
| CONECT 19 20 |
| CONECT 19 21 |
| CONECT 19 29 |
| CONECT 21 22 |
| CONECT 21 23 |
| CONECT 21 28 |
| CONECT 23 24 |
| CONECT 23 25 |
| CONECT 23 26 |
| CONECT 26 27 |
| CONECT 29 30 |
| CONECT 30 31 |
| CONECT 30 32 |
| CONECT 30 46 |
| CONECT 32 33 |
| CONECT 33 34 |
| CONECT 33 35 |
| CONECT 33 40 |
| CONECT 35 36 |
| CONECT 35 37 |
| CONECT 35 38 |
| CONECT 38 39 |
| CONECT 40 41 |
| CONECT 40 42 |
| CONECT 40 56 |
| CONECT 42 43 |
| CONECT 42 44 |
| CONECT 42 46 |
| CONECT 44 45 |
| CONECT 46 47 |
| CONECT 46 48 |
| CONECT 48 49 |
| CONECT 48 50 |
| CONECT 50 51 |
| CONECT 50 52 |
| CONECT 52 53 |
| CONECT 52 54 |
| CONECT 52 55 |
| CONECT 56 57 |
| CONECT 57 58 |
| CONECT 57 59 |
| CONECT 57 72 |
| CONECT 59 60 |
| CONECT 60 61 |
| CONECT 60 62 |
| CONECT 60 66 |
| CONECT 62 63 |
| CONECT 62 64 |
| CONECT 62 65 |
| CONECT 65 77 |
| CONECT 66 67 |
| CONECT 66 68 |
| CONECT 66 70 |
| CONECT 68 69 |
| CONECT 70 71 |
| CONECT 70 72 |
| CONECT 70 76 |
| CONECT 72 73 |
| CONECT 72 74 |
| CONECT 74 75 |
| CONECT 76 141 |
| CONECT 77 78 |
| CONECT 77 79 |
| CONECT 77 93 |
| CONECT 79 80 |
| CONECT 79 81 |
| CONECT 79 83 |
| CONECT 81 82 |
| CONECT 83 84 |
| CONECT 83 85 |
| CONECT 83 96 |
| CONECT 85 86 |
| CONECT 85 87 |
| CONECT 85 94 |
| CONECT 87 88 |
| CONECT 87 89 |
| CONECT 87 93 |
| CONECT 89 90 |
| CONECT 89 91 |
| CONECT 89 92 |
| CONECT 92 97 |
| CONECT 94 95 |
| CONECT 96 119 |
| CONECT 97 98 |
| CONECT 97 99 |
| CONECT 97 112 |
| CONECT 99 100 |
| CONECT 99 101 |
| CONECT 99 117 |
| CONECT 101 102 |
| CONECT 101 103 |
| CONECT 101 115 |
| CONECT 103 104 |
| CONECT 103 105 |
| CONECT 103 113 |
| CONECT 105 106 |
| CONECT 105 107 |
| CONECT 105 112 |
| CONECT 107 108 |
| CONECT 107 109 |
| CONECT 107 110 |
| CONECT 110 111 |
| CONECT 113 114 |
| CONECT 115 116 |
| CONECT 117 118 |
| CONECT 119 120 |
| CONECT 119 121 |
| CONECT 119 134 |
| CONECT 121 122 |
| CONECT 121 123 |
| CONECT 121 139 |
| CONECT 123 124 |
| CONECT 123 125 |
| CONECT 123 137 |
| CONECT 125 126 |
| CONECT 125 127 |
| CONECT 125 135 |
| CONECT 127 128 |
| CONECT 127 129 |
| CONECT 127 134 |
| CONECT 129 130 |
| CONECT 129 131 |
| CONECT 129 132 |
| CONECT 132 133 |
| CONECT 135 136 |
| CONECT 137 138 |
| CONECT 139 140 |
| CONECT 141 142 |
| CONECT 141 143 |
| CONECT 141 156 |
| CONECT 143 144 |
| CONECT 143 145 |
| CONECT 143 161 |
| CONECT 145 146 |
| CONECT 145 147 |
| CONECT 145 159 |
| CONECT 147 148 |
| CONECT 147 149 |
| CONECT 147 157 |
| CONECT 149 150 |
| CONECT 149 151 |
| CONECT 149 156 |
| CONECT 151 152 |
| CONECT 151 153 |
| CONECT 151 154 |
| CONECT 154 155 |
| CONECT 157 158 |
| CONECT 159 160 |
| CONECT 161 162 |
| ENDMDL |
| END |
|
|
