| REMARK GENERATED BY GlycanAnalysisPipeline from GlycoShape |
| REMARK ____ _ ____ _ |
| REMARK / ___| |_ _ ___ ___/ ___|| |__ __ _ _ __ ___ |
| REMARK | | _| | | | |/ __/ _ \___ \| '_ \ / _` | '_ \ / _ \ |
| REMARK | |_| | | |_| | (_| (_) |__) | | | | (_| | |_) | __/ |
| REMARK \____|_|\__, |\___\___/____/|_| |_|\__,_| .__/ \___| |
| REMARK |___/ |_| |
| REMARK https://GlycoShape.org |
| REMARK GlyTouCan ID: G58214IQ |
| REMARK IUPAC Name: Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc(a1- |
| 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 ALPHA |
| MODEL 1 |
| ATOM 1 HO1 ROH X 1 26.432 17.436 34.416 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 25.905 18.223 34.566 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 27.215 19.134 35.614 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 32.016 19.736 30.478 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 31.471 20.283 31.066 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 31.711 21.584 30.614 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 32.736 21.850 30.899 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 30.684 22.618 31.251 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 31.141 23.584 31.050 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 30.602 22.478 32.740 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 29.728 22.256 33.197 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 31.606 22.743 33.596 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 31.251 22.623 35.115 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 30.509 21.875 35.385 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 32.139 22.487 35.727 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 30.920 23.627 35.343 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 32.756 23.051 33.143 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 29.280 22.582 30.650 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 28.843 21.734 31.169 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 28.559 23.611 31.171 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 27.703 23.596 30.728 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 29.172 22.417 29.120 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 29.488 23.382 28.733 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 30.231 21.381 28.583 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 29.891 20.398 28.926 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 30.291 21.287 27.068 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 29.345 20.860 26.730 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 31.112 20.576 26.914 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 30.405 22.567 26.463 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 30.446 22.523 25.506 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 31.597 21.633 29.181 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 27.850 21.983 28.657 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 26.850 23.054 28.410 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 27.197 23.885 27.804 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 26.269 23.505 29.712 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 25.124 24.432 29.737 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 25.483 25.434 29.528 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 24.403 24.498 31.085 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 23.503 25.117 31.032 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 25.085 24.964 31.795 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 24.097 23.225 31.669 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 24.893 22.814 32.006 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.119 24.010 28.698 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 23.455 23.187 28.951 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 24.776 23.698 27.360 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.379 24.536 27.037 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.743 23.347 26.419 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 23.091 24.045 26.555 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 25.750 22.502 27.508 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 25.160 21.782 28.064 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 26.300 21.981 26.224 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 26.399 22.696 25.522 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 26.565 20.802 25.893 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 26.356 19.961 26.749 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 27.363 20.590 24.617 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 27.918 19.658 24.645 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 26.579 20.499 23.867 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 28.062 21.412 24.464 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 23.289 25.240 28.492 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 21.842 25.044 28.445 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 21.575 24.141 28.999 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 21.401 24.770 27.018 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 19.942 24.542 26.904 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 19.719 23.633 27.454 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 19.633 24.202 25.441 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 19.792 25.023 24.754 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 18.594 23.898 25.323 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 20.453 23.039 25.008 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 19.223 25.782 27.526 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 19.423 26.552 26.789 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 17.786 25.438 27.517 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 17.276 26.166 27.154 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 19.597 26.121 29.030 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 19.293 25.302 29.684 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 21.118 26.227 29.089 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 21.421 26.256 30.136 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 21.501 27.497 28.503 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 22.234 27.871 28.989 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 18.909 27.385 29.345 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 20.295 22.752 23.558 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 19.243 22.648 23.302 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 21.037 21.410 23.260 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 20.769 20.730 24.072 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 20.672 20.838 21.938 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 21.472 20.435 21.591 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 22.540 21.585 23.280 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 22.852 21.735 24.310 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 23.043 22.746 22.412 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 22.862 22.510 21.364 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.338 24.099 22.850 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 22.584 24.216 23.906 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 22.642 25.330 22.022 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 21.938 26.109 22.306 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 23.659 25.613 22.251 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 22.420 25.103 20.565 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 20.870 23.856 22.749 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 24.460 22.866 22.532 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 24.814 22.199 21.945 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 23.087 20.338 22.833 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.210 25.887 19.647 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 23.008 26.885 20.017 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 22.730 25.694 18.126 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 21.649 25.630 18.003 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 23.193 24.354 17.624 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 22.768 23.632 18.319 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 24.768 24.148 17.734 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 25.306 24.706 16.981 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 25.250 24.468 19.189 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.823 23.685 19.821 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 26.767 24.425 19.361 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 26.996 24.615 20.415 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 27.121 23.425 19.136 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 27.461 25.310 18.439 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 28.386 25.148 18.642 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 24.643 25.609 19.800 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.994 22.781 17.544 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 24.279 22.396 17.029 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 22.783 24.103 16.232 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 21.902 23.721 16.360 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 23.245 26.774 17.232 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 22.967 26.518 16.352 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 23.763 19.474 23.860 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.452 20.093 24.424 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 24.531 18.337 23.175 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 25.153 18.652 22.326 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 23.445 17.422 22.664 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 22.859 17.927 21.900 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 22.563 16.721 23.750 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 23.221 16.192 24.444 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 21.827 17.826 24.509 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 21.087 18.222 23.814 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 21.109 17.406 25.801 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 20.578 18.251 26.246 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 20.410 16.582 25.646 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 22.135 16.835 26.717 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 22.876 17.446 26.804 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 22.822 18.892 24.894 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 21.608 15.864 23.114 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 21.679 15.013 23.544 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 24.024 16.223 21.932 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 23.289 15.616 21.836 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 25.427 17.689 24.159 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.782 16.893 23.759 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 18.354 27.393 30.701 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 17.771 26.474 30.836 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 17.396 28.620 30.952 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 16.633 28.569 30.183 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 18.302 29.833 31.024 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 18.673 29.963 30.014 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 19.492 29.737 32.060 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.089 29.786 33.068 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 20.277 28.453 31.830 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 20.801 28.445 30.874 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 21.194 28.212 33.017 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 21.550 27.190 32.901 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 22.031 28.905 32.973 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 20.583 28.245 34.298 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 21.227 28.089 34.985 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 19.393 27.257 31.742 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 20.409 30.880 31.883 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 19.986 31.593 32.360 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 17.544 31.030 31.207 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 16.748 30.987 30.685 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 16.699 28.365 32.228 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 15.988 29.000 32.333 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 25.570 15.552 31.448 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 25.639 16.303 32.045 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 26.947 16.747 31.806 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 27.568 16.030 32.343 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 27.190 18.177 32.322 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 28.250 18.395 32.195 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 26.945 18.206 33.812 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 25.975 18.107 34.094 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 27.848 18.544 34.739 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 27.280 18.865 36.095 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 27.074 19.929 36.113 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 26.429 18.234 36.377 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 28.051 18.674 36.841 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 29.002 18.827 34.389 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 26.460 19.212 31.556 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 25.420 19.090 31.855 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 26.951 20.472 31.919 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 26.606 21.132 31.314 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 26.666 19.074 30.053 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 27.674 19.395 29.798 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 26.577 17.656 29.508 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 25.517 17.400 29.585 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 26.901 17.518 28.040 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 26.296 18.131 27.369 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 26.916 16.481 27.680 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 28.274 18.032 27.796 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 28.797 17.237 27.658 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 27.230 16.588 30.359 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 25.556 19.852 29.424 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 25.936 21.243 28.908 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 26.906 21.311 28.406 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 25.913 22.178 30.022 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 26.298 23.586 29.609 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 27.227 23.545 29.031 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 26.536 24.524 30.813 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 26.932 25.423 30.348 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 27.222 24.063 31.535 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 25.314 24.848 31.524 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 25.339 25.729 31.896 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 25.227 24.121 28.615 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 24.303 24.228 29.182 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 25.054 23.124 27.418 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.951 23.241 26.815 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.859 23.559 26.655 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 24.039 24.491 26.507 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 24.889 21.624 27.831 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 23.853 21.628 28.162 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 25.105 20.797 26.632 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 25.939 20.986 26.087 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 24.137 20.078 26.077 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 23.015 20.001 26.581 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 24.452 19.291 24.880 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 25.418 18.820 25.088 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 23.701 18.499 24.808 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 24.376 19.993 24.053 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 25.750 25.510 28.167 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 24.708 26.465 28.144 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 24.212 26.417 29.120 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 23.730 26.236 27.092 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 22.633 27.209 26.865 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 21.900 27.094 27.667 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 21.897 26.865 25.424 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 21.054 27.525 25.234 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 21.499 25.862 25.265 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 22.886 27.227 24.418 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 23.212 28.646 26.968 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 23.724 28.906 26.035 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 22.026 29.557 27.065 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 21.799 29.938 26.214 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 24.216 28.936 28.079 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 23.795 28.898 29.088 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 25.320 27.905 28.070 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 25.951 28.071 28.950 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 26.136 28.022 26.925 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 26.296 28.926 26.642 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 24.842 30.247 27.841 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 23.655 26.104 23.762 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 23.964 25.399 24.522 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 24.877 26.681 23.006 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 25.365 27.363 23.701 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 25.805 25.594 22.595 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 26.647 25.929 22.273 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 24.282 27.480 21.822 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 23.652 28.314 22.142 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 23.425 26.624 20.895 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 24.042 25.827 20.495 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.210 26.053 21.675 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 21.476 26.790 21.996 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 21.311 25.058 20.846 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 20.632 24.444 21.431 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 20.607 25.608 20.205 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 22.102 24.168 19.951 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 22.786 25.368 22.843 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 22.874 27.518 19.852 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 23.527 27.433 19.164 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 25.395 28.130 21.078 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 22.538 22.819 20.467 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 22.040 22.701 21.420 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 24.018 22.815 20.684 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 24.266 23.667 21.316 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 24.705 23.019 19.306 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 24.221 23.912 18.915 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 24.328 21.869 18.381 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 24.677 20.906 18.760 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 22.793 21.747 18.199 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 22.488 22.711 17.789 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 22.314 20.668 17.236 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 21.227 20.725 17.145 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 22.666 20.900 16.232 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.654 19.335 17.542 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 22.328 18.780 16.833 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 22.145 21.699 19.567 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.942 21.991 17.076 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 25.778 22.471 17.088 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 26.147 23.178 19.467 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 26.528 22.305 19.539 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 24.508 21.556 21.269 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 24.110 21.474 22.137 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 25.340 29.637 20.951 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.328 29.995 20.793 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 26.293 29.873 19.765 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 26.156 29.107 19.000 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 27.780 29.637 20.319 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 27.855 28.573 20.528 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 28.060 30.431 21.613 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 27.760 31.479 21.576 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 27.094 29.980 22.733 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 27.158 28.900 22.890 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 27.277 30.673 24.126 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 28.262 30.564 24.571 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 27.218 31.753 24.020 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 26.345 30.050 25.038 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 25.601 30.641 25.139 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 25.768 30.262 22.228 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 29.418 30.292 22.078 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 29.827 31.146 22.176 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 28.776 29.899 19.250 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 28.406 29.552 18.434 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 26.025 31.193 19.215 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.336 31.155 18.546 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 25.219 30.978 29.039 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 24.419 30.850 29.760 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 25.383 32.521 28.683 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 24.544 32.897 28.111 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 26.591 32.725 27.740 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 26.423 32.275 26.763 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 27.877 32.062 28.341 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 28.136 32.677 29.208 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 27.698 30.579 28.775 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 27.542 30.025 27.842 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 28.964 29.993 29.477 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 28.809 28.916 29.600 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 29.765 30.022 28.741 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 29.563 30.637 30.581 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 30.215 31.271 30.284 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 26.463 30.461 29.633 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 28.937 32.193 27.334 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 29.073 33.139 27.204 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 26.833 34.099 27.363 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 26.743 34.227 26.415 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 25.583 33.317 29.899 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 25.875 34.189 29.626 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 24.480 15.492 27.320 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 23.717 16.060 27.205 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 23.328 16.396 28.588 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 22.796 15.595 29.108 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 22.369 17.634 28.684 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 22.309 17.784 29.765 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 20.979 17.416 28.118 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 20.883 17.651 27.144 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 19.894 17.055 28.804 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 18.657 16.913 27.942 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 18.197 17.890 27.916 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 18.866 16.587 26.921 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 17.950 16.228 28.412 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 20.011 16.779 30.023 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 23.075 18.857 28.060 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 23.277 18.635 27.013 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 22.235 20.045 28.259 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 22.784 20.830 28.159 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 24.395 19.127 28.784 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 24.223 19.402 29.830 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 25.344 17.891 28.805 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 25.649 17.719 27.769 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 26.608 18.236 29.604 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 27.163 19.018 29.085 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 27.390 17.469 29.626 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 26.347 18.699 30.966 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 27.160 18.550 31.453 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 24.598 16.606 29.294 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 25.063 20.272 28.050 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 24.977 21.572 28.641 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 25.041 21.470 29.722 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 23.775 22.261 28.231 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 23.495 23.541 28.949 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 23.526 23.312 30.017 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 22.025 23.992 28.605 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 21.831 24.975 29.033 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 21.268 23.302 28.971 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 21.861 24.184 27.235 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 21.593 23.370 26.811 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.604 24.555 28.581 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 24.699 24.808 27.521 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 25.966 23.928 28.847 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 26.136 23.853 29.920 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 27.024 24.731 28.355 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 26.647 25.472 27.882 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 26.178 22.455 28.246 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 26.126 22.485 27.158 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 27.348 21.827 28.803 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 27.529 21.644 29.774 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 28.320 21.315 28.005 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 28.256 21.257 26.772 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 29.553 20.864 28.846 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 29.423 19.831 29.165 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 30.402 20.926 28.173 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 29.676 21.594 29.651 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 24.374 25.739 29.391 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 24.217 26.964 28.550 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 23.610 26.655 27.706 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 25.565 27.267 27.940 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 25.701 28.450 26.966 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 25.148 28.216 26.059 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 27.155 28.790 26.578 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 27.879 28.663 27.389 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 27.126 29.829 26.278 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 27.572 27.931 25.429 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 24.993 29.630 27.639 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 25.694 30.002 28.384 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 24.781 30.653 26.641 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 25.422 31.346 26.816 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 23.621 29.379 28.273 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 22.886 29.240 27.482 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 23.645 28.172 29.255 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 22.623 27.944 29.559 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 24.446 28.412 30.488 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 24.159 27.766 31.138 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 23.211 30.625 29.061 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 27.824 26.575 25.791 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 28.345 26.523 26.740 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 28.753 25.973 24.712 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 29.642 26.593 24.633 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 29.276 24.695 25.089 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 30.242 24.773 25.137 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 28.135 25.837 23.338 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 27.876 26.833 22.974 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 26.879 25.029 23.560 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 27.210 24.020 23.822 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 25.873 25.680 24.554 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 25.705 26.711 24.266 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 24.590 24.956 24.732 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 24.030 25.312 25.605 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 23.950 25.041 23.858 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 24.861 23.515 24.894 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 26.583 25.845 25.845 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 26.197 24.913 22.332 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 26.510 24.113 21.915 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 29.027 25.159 22.453 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.625 22.733 24.726 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 22.990 23.099 25.537 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 23.960 21.216 24.715 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 24.705 20.976 25.466 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 24.612 20.834 23.389 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 25.531 21.423 23.364 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 23.631 21.183 22.186 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 22.691 20.651 22.305 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 23.240 22.699 22.241 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.200 23.200 22.088 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 22.082 23.116 21.252 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 22.163 22.590 20.293 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 21.120 22.810 21.670 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.171 24.529 21.003 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 21.698 24.692 20.185 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 22.812 23.090 23.593 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 24.271 20.846 20.929 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 24.452 19.903 20.979 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 24.947 19.366 23.359 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 25.834 19.285 23.708 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 22.722 20.441 24.953 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 22.936 19.516 24.846 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 29.332 25.877 21.206 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 28.433 26.276 20.726 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 30.100 24.912 20.174 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 29.486 24.004 20.173 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 31.544 24.549 20.658 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 31.482 24.112 21.652 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 32.255 25.884 20.693 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 32.237 26.312 19.691 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 31.643 26.839 21.771 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 31.640 26.394 22.772 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 32.322 28.205 21.904 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 31.655 28.830 22.494 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 33.312 28.257 22.344 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 32.528 28.760 20.554 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 33.206 28.332 20.030 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 30.184 27.024 21.515 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 33.640 25.680 21.277 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 34.117 25.090 20.690 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 32.186 23.621 19.734 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 32.039 22.782 20.174 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 30.091 25.490 18.819 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 30.180 24.744 18.218 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 21.830 31.088 29.062 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 21.580 31.207 28.011 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 21.766 32.383 29.858 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 22.539 33.130 29.664 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 21.922 32.057 31.402 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 22.828 31.472 31.581 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 20.722 31.163 31.870 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.779 31.681 31.698 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 20.880 29.873 31.083 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 21.786 29.365 31.406 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 19.824 28.735 31.341 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 19.948 27.906 30.645 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 19.921 28.310 32.344 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 18.467 29.227 31.188 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 18.546 29.620 30.314 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 20.905 30.133 29.585 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 20.948 30.804 33.212 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 20.348 31.390 33.683 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 21.888 33.268 32.184 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 22.802 33.557 32.191 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 20.489 33.108 29.708 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 20.640 33.805 30.362 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 30.023 19.066 31.161 1.00 0.00 H |
| ATOM 2 O1 ROH X 1 30.049 19.869 31.694 1.00 0.00 O |
| ATOM 3 C1 4YA X 2 30.887 20.892 31.148 1.00 0.00 C |
| ATOM 4 H1 4YA X 2 31.835 20.938 31.688 1.00 0.00 H |
| ATOM 5 C2 4YA X 2 30.372 22.338 31.488 1.00 0.00 C |
| ATOM 6 H2 4YA X 2 31.064 23.087 31.102 1.00 0.00 H |
| ATOM 7 N2 4YA X 2 30.282 22.546 32.966 1.00 0.00 N |
| ATOM 8 H2N 4YA X 2 29.779 21.930 33.584 1.00 0.00 H |
| ATOM 9 C2N 4YA X 2 31.314 23.148 33.562 1.00 0.00 C |
| ATOM 10 CME 4YA X 2 31.512 22.779 35.067 1.00 0.00 C |
| ATOM 11 H3M 4YA X 2 31.899 23.636 35.615 1.00 0.00 H |
| ATOM 12 H2M 4YA X 2 30.512 22.464 35.370 1.00 0.00 H |
| ATOM 13 H1M 4YA X 2 32.307 22.042 35.214 1.00 0.00 H |
| ATOM 14 O2N 4YA X 2 32.162 23.787 32.974 1.00 0.00 O |
| ATOM 15 C3 4YA X 2 28.984 22.569 30.785 1.00 0.00 C |
| ATOM 16 H3 4YA X 2 28.208 21.961 31.242 1.00 0.00 H |
| ATOM 17 O3 4YA X 2 28.651 23.973 30.920 1.00 0.00 O |
| ATOM 18 H3O 4YA X 2 28.068 24.108 31.674 1.00 0.00 H |
| ATOM 19 C4 4YA X 2 28.969 22.187 29.247 1.00 0.00 C |
| ATOM 20 H4 4YA X 2 29.494 22.982 28.714 1.00 0.00 H |
| ATOM 21 C5 4YA X 2 29.588 20.747 29.029 1.00 0.00 C |
| ATOM 22 H5 4YA X 2 28.961 19.994 29.525 1.00 0.00 H |
| ATOM 23 C6 4YA X 2 29.767 20.477 27.543 1.00 0.00 C |
| ATOM 24 H62 4YA X 2 28.760 20.552 27.137 1.00 0.00 H |
| ATOM 25 H61 4YA X 2 30.253 19.510 27.388 1.00 0.00 H |
| ATOM 26 O6 4YA X 2 30.589 21.535 27.035 1.00 0.00 O |
| ATOM 27 H6O 4YA X 2 31.189 21.073 26.443 1.00 0.00 H |
| ATOM 28 O5 4YA X 2 30.992 20.685 29.687 1.00 0.00 O |
| ATOM 29 O4 4YA X 2 27.569 22.117 28.755 1.00 0.00 O |
| ATOM 30 C1 4YB X 3 26.912 23.348 28.358 1.00 0.00 C |
| ATOM 31 H1 4YB X 3 27.649 24.065 28.017 1.00 0.00 H |
| ATOM 32 O5 4YB X 3 26.151 23.927 29.503 1.00 0.00 O |
| ATOM 33 C5 4YB X 3 25.344 25.150 29.198 1.00 0.00 C |
| ATOM 34 H5 4YB X 3 26.039 25.926 28.868 1.00 0.00 H |
| ATOM 35 C6 4YB X 3 24.597 25.666 30.486 1.00 0.00 C |
| ATOM 36 H62 4YB X 3 23.963 26.510 30.246 1.00 0.00 H |
| ATOM 37 H61 4YB X 3 25.315 25.940 31.259 1.00 0.00 H |
| ATOM 38 O6 4YB X 3 23.714 24.585 30.939 1.00 0.00 O |
| ATOM 39 H6O 4YB X 3 22.963 24.966 31.400 1.00 0.00 H |
| ATOM 40 C4 4YB X 3 24.330 24.781 28.098 1.00 0.00 C |
| ATOM 41 H4 4YB X 3 23.560 24.129 28.514 1.00 0.00 H |
| ATOM 42 C3 4YB X 3 24.899 24.176 26.809 1.00 0.00 C |
| ATOM 43 H3 4YB X 3 25.291 24.938 26.133 1.00 0.00 H |
| ATOM 44 O3 4YB X 3 23.845 23.631 25.960 1.00 0.00 O |
| ATOM 45 H3O 4YB X 3 23.142 24.291 25.966 1.00 0.00 H |
| ATOM 46 C2 4YB X 3 25.942 23.060 27.111 1.00 0.00 C |
| ATOM 47 H2 4YB X 3 25.400 22.152 27.341 1.00 0.00 H |
| ATOM 48 N2 4YB X 3 26.760 22.791 25.929 1.00 0.00 N |
| ATOM 49 H2N 4YB X 3 27.018 23.566 25.324 1.00 0.00 H |
| ATOM 50 C2N 4YB X 3 27.065 21.619 25.401 1.00 0.00 C |
| ATOM 51 O2N 4YB X 3 26.660 20.539 25.907 1.00 0.00 O |
| ATOM 52 CME 4YB X 3 28.062 21.672 24.167 1.00 0.00 C |
| ATOM 53 H3M 4YB X 3 28.766 22.498 24.234 1.00 0.00 H |
| ATOM 54 H2M 4YB X 3 28.574 20.723 23.987 1.00 0.00 H |
| ATOM 55 H1M 4YB X 3 27.525 21.814 23.220 1.00 0.00 H |
| ATOM 56 O4 4YB X 3 23.729 26.073 27.724 1.00 0.00 O |
| ATOM 57 C1 VMB X 4 22.219 25.972 27.875 1.00 0.00 C |
| ATOM 58 H1 VMB X 4 22.000 25.449 28.803 1.00 0.00 H |
| ATOM 59 O5 VMB X 4 21.726 25.104 26.687 1.00 0.00 O |
| ATOM 60 C5 VMB X 4 20.212 25.053 26.531 1.00 0.00 C |
| ATOM 61 H5 VMB X 4 19.764 24.466 27.334 1.00 0.00 H |
| ATOM 62 C6 VMB X 4 19.803 24.193 25.363 1.00 0.00 C |
| ATOM 63 H62 VMB X 4 20.264 24.545 24.442 1.00 0.00 H |
| ATOM 64 H61 VMB X 4 18.726 24.299 25.251 1.00 0.00 H |
| ATOM 65 O6 VMB X 4 20.309 22.844 25.652 1.00 0.00 O |
| ATOM 66 C4 VMB X 4 19.534 26.363 26.656 1.00 0.00 C |
| ATOM 67 H4 VMB X 4 19.728 26.875 25.708 1.00 0.00 H |
| ATOM 68 O4 VMB X 4 18.139 26.102 26.844 1.00 0.00 O |
| ATOM 69 H4O VMB X 4 17.580 26.847 26.587 1.00 0.00 H |
| ATOM 70 C3 VMB X 4 20.064 27.178 27.816 1.00 0.00 C |
| ATOM 71 H3 VMB X 4 19.850 26.630 28.731 1.00 0.00 H |
| ATOM 72 C2 VMB X 4 21.602 27.342 27.740 1.00 0.00 C |
| ATOM 73 H2 VMB X 4 21.891 27.930 28.612 1.00 0.00 H |
| ATOM 74 O2 VMB X 4 21.976 28.099 26.481 1.00 0.00 O |
| ATOM 75 H2O VMB X 4 22.395 28.942 26.655 1.00 0.00 H |
| ATOM 76 O3 VMB X 4 19.392 28.590 27.799 1.00 0.00 O |
| ATOM 77 C1 VMA X 5 20.064 21.918 24.543 1.00 0.00 C |
| ATOM 78 H1 VMA X 5 18.990 21.789 24.456 1.00 0.00 H |
| ATOM 79 C2 VMA X 5 20.848 20.552 24.806 1.00 0.00 C |
| ATOM 80 H2 VMA X 5 20.415 20.055 25.674 1.00 0.00 H |
| ATOM 81 O2 VMA X 5 20.635 19.670 23.666 1.00 0.00 O |
| ATOM 82 H2O VMA X 5 20.854 18.810 24.034 1.00 0.00 H |
| ATOM 83 C3 VMA X 5 22.371 20.752 24.892 1.00 0.00 C |
| ATOM 84 H3 VMA X 5 22.564 21.448 25.710 1.00 0.00 H |
| ATOM 85 C4 VMA X 5 22.923 21.526 23.600 1.00 0.00 C |
| ATOM 86 H4 VMA X 5 23.010 20.884 22.723 1.00 0.00 H |
| ATOM 87 C5 VMA X 5 22.046 22.731 23.098 1.00 0.00 C |
| ATOM 88 H5 VMA X 5 22.244 23.597 23.722 1.00 0.00 H |
| ATOM 89 C6 VMA X 5 22.227 22.989 21.600 1.00 0.00 C |
| ATOM 90 H62 VMA X 5 21.832 22.147 21.034 1.00 0.00 H |
| ATOM 91 H61 VMA X 5 21.605 23.824 21.269 1.00 0.00 H |
| ATOM 92 O6 VMA X 5 23.611 23.159 21.267 1.00 0.00 O |
| ATOM 93 O5 VMA X 5 20.592 22.391 23.263 1.00 0.00 O |
| ATOM 94 O4 VMA X 5 24.309 21.965 23.866 1.00 0.00 O |
| ATOM 95 H4O VMA X 5 24.236 22.598 24.585 1.00 0.00 H |
| ATOM 96 O3 VMA X 5 22.980 19.493 25.281 1.00 0.00 O |
| ATOM 97 C1 0MA X 6 23.989 24.536 20.927 1.00 0.00 C |
| ATOM 98 H1 0MA X 6 23.478 24.831 20.002 1.00 0.00 H |
| ATOM 99 C2 0MA X 6 25.455 24.576 20.581 1.00 0.00 C |
| ATOM 100 H2 0MA X 6 25.785 23.673 20.071 1.00 0.00 H |
| ATOM 101 C3 0MA X 6 26.341 24.599 21.862 1.00 0.00 C |
| ATOM 102 H3 0MA X 6 26.231 23.635 22.368 1.00 0.00 H |
| ATOM 103 C4 0MA X 6 26.136 25.732 22.882 1.00 0.00 C |
| ATOM 104 H4 0MA X 6 26.446 26.692 22.472 1.00 0.00 H |
| ATOM 105 C5 0MA X 6 24.612 25.588 23.256 1.00 0.00 C |
| ATOM 106 H5 0MA X 6 24.432 24.690 23.845 1.00 0.00 H |
| ATOM 107 C6 0MA X 6 24.198 26.691 24.182 1.00 0.00 C |
| ATOM 108 H62 0MA X 6 24.762 26.723 25.112 1.00 0.00 H |
| ATOM 109 H61 0MA X 6 24.259 27.661 23.709 1.00 0.00 H |
| ATOM 110 O6 0MA X 6 22.845 26.368 24.528 1.00 0.00 O |
| ATOM 111 H6O 0MA X 6 22.595 26.870 25.301 1.00 0.00 H |
| ATOM 112 O5 0MA X 6 23.763 25.494 21.985 1.00 0.00 O |
| ATOM 113 O4 0MA X 6 26.920 25.498 24.065 1.00 0.00 O |
| ATOM 114 H4O 0MA X 6 27.780 25.178 23.791 1.00 0.00 H |
| ATOM 115 O3 0MA X 6 27.741 24.563 21.469 1.00 0.00 O |
| ATOM 116 H3O 0MA X 6 27.920 23.627 21.318 1.00 0.00 H |
| ATOM 117 O2 0MA X 6 25.702 25.790 19.769 1.00 0.00 O |
| ATOM 118 H2O 0MA X 6 26.629 25.865 19.531 1.00 0.00 H |
| ATOM 119 C1 0MA X 7 23.445 19.291 26.640 1.00 0.00 C |
| ATOM 120 H1 0MA X 7 24.088 20.111 26.971 1.00 0.00 H |
| ATOM 121 C2 0MA X 7 24.408 18.086 26.820 1.00 0.00 C |
| ATOM 122 H2 0MA X 7 25.156 17.936 26.045 1.00 0.00 H |
| ATOM 123 C3 0MA X 7 23.524 16.834 26.881 1.00 0.00 C |
| ATOM 124 H3 0MA X 7 23.323 16.614 25.833 1.00 0.00 H |
| ATOM 125 C4 0MA X 7 22.216 16.822 27.752 1.00 0.00 C |
| ATOM 126 H4 0MA X 7 22.556 16.735 28.776 1.00 0.00 H |
| ATOM 127 C5 0MA X 7 21.419 18.124 27.546 1.00 0.00 C |
| ATOM 128 H5 0MA X 7 20.854 18.093 26.616 1.00 0.00 H |
| ATOM 129 C6 0MA X 7 20.406 18.239 28.714 1.00 0.00 C |
| ATOM 130 H62 0MA X 7 19.791 17.353 28.840 1.00 0.00 H |
| ATOM 131 H61 0MA X 7 20.925 18.367 29.660 1.00 0.00 H |
| ATOM 132 O6 0MA X 7 19.549 19.434 28.463 1.00 0.00 O |
| ATOM 133 H6O 0MA X 7 20.129 20.198 28.515 1.00 0.00 H |
| ATOM 134 O5 0MA X 7 22.335 19.281 27.590 1.00 0.00 O |
| ATOM 135 O4 0MA X 7 21.319 15.754 27.507 1.00 0.00 O |
| ATOM 136 H4O 0MA X 7 21.414 15.094 28.196 1.00 0.00 H |
| ATOM 137 O3 0MA X 7 24.354 15.694 27.189 1.00 0.00 O |
| ATOM 138 H3O 0MA X 7 24.472 15.611 28.144 1.00 0.00 H |
| ATOM 139 O2 0MA X 7 25.117 18.238 28.088 1.00 0.00 O |
| ATOM 140 H2O 0MA X 7 25.908 17.700 27.966 1.00 0.00 H |
| ATOM 141 C1 0MA X 8 18.592 28.939 28.975 1.00 0.00 C |
| ATOM 142 H1 0MA X 8 17.741 28.265 29.028 1.00 0.00 H |
| ATOM 143 C2 0MA X 8 18.048 30.370 28.731 1.00 0.00 C |
| ATOM 144 H2 0MA X 8 17.447 30.469 27.817 1.00 0.00 H |
| ATOM 145 C3 0MA X 8 19.144 31.418 28.687 1.00 0.00 C |
| ATOM 146 H3 0MA X 8 19.852 31.244 27.884 1.00 0.00 H |
| ATOM 147 C4 0MA X 8 19.956 31.412 30.049 1.00 0.00 C |
| ATOM 148 H4 0MA X 8 19.291 31.853 30.786 1.00 0.00 H |
| ATOM 149 C5 0MA X 8 20.467 29.947 30.379 1.00 0.00 C |
| ATOM 150 H5 0MA X 8 21.263 29.697 29.692 1.00 0.00 H |
| ATOM 151 C6 0MA X 8 21.105 29.785 31.782 1.00 0.00 C |
| ATOM 152 H62 0MA X 8 21.349 28.768 32.104 1.00 0.00 H |
| ATOM 153 H61 0MA X 8 21.959 30.430 31.948 1.00 0.00 H |
| ATOM 154 O6 0MA X 8 20.076 30.228 32.724 1.00 0.00 O |
| ATOM 155 H6O 0MA X 8 19.395 29.557 32.640 1.00 0.00 H |
| ATOM 156 O5 0MA X 8 19.383 28.871 30.181 1.00 0.00 O |
| ATOM 157 O4 0MA X 8 21.155 32.211 29.963 1.00 0.00 O |
| ATOM 158 H4O 0MA X 8 21.109 32.685 29.131 1.00 0.00 H |
| ATOM 159 O3 0MA X 8 18.593 32.704 28.520 1.00 0.00 O |
| ATOM 160 H3O 0MA X 8 17.897 32.831 29.169 1.00 0.00 H |
| ATOM 161 O2 0MA X 8 17.119 30.714 29.823 1.00 0.00 O |
| ATOM 162 H2O 0MA X 8 16.373 31.201 29.470 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 |
|
|
