212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -2.941653 3.480677 3.562162 27 2 2 N -3.420913 2.473776 3.678561 27 1 3 N -7.199765 6.175186 -1.850124 27 4 4 N -6.900478 5.593294 -2.760574 27 3 5 N -2.808120 7.861124 5.263719 27 6 6 N -2.711774 8.828851 5.821671 27 5 7 N 9.329291 -7.102460 0.246477 27 8 8 N 8.520644 -7.095968 -0.530142 27 7 9 N 3.806153 1.725703 -7.329342 27 10 10 N 2.804265 1.223648 -7.293975 27 9 11 N -4.699225 4.665259 6.266526 27 12 12 N -4.977626 5.750986 6.294399 27 11 13 N 2.650992 -4.781679 -5.787293 27 14 14 N 3.374430 -5.583490 -5.485921 27 13 15 N -4.334095 4.358144 -8.661096 27 16 16 N -3.790948 4.437425 -7.683448 27 15 17 N -6.162811 8.929183 -2.955248 27 18 18 N -5.129699 9.183993 -2.601918 27 17 19 N 6.180691 6.273367 7.986811 27 20 20 N 5.578778 5.331730 7.896759 27 19 21 N -0.402157 6.353323 -5.971332 27 22 22 N 0.235658 7.275297 -5.955659 27 21 23 N -5.536653 1.348470 -3.624532 27 24 24 N -5.971512 0.407545 -4.051906 27 23 25 N 1.210976 0.834159 -1.015606 27 26 26 N 0.459550 1.106773 -0.229394 27 25 27 N -1.681523 0.945618 -2.522460 27 28 28 N -2.396983 0.082373 -2.525922 27 27 29 N 3.252583 0.244563 1.728733 27 30 30 N 2.913472 0.280821 2.796805 27 29 31 N 8.356745 4.087764 -3.373708 27 32 32 N 7.493613 3.524892 -2.931818 27 31 33 N 2.857780 -3.323767 3.409468 27 34 34 N 1.779032 -3.626690 3.369083 27 33 35 N 9.301426 0.447531 1.873618 27 36 36 N 8.218020 0.223485 2.055619 27 35 37 N -7.328486 7.761713 1.234452 27 38 38 N -6.784696 8.731545 1.378701 27 37 39 N -5.592100 -6.567572 -6.906967 27 40 40 N -5.937206 -7.619940 -6.732280 27 39 41 N -5.747299 -6.090910 -0.342695 27 42 42 N -4.924424 -6.831909 -0.518442 27 41 43 N 5.470508 -6.625355 -7.709542 27 44 44 N 5.474666 -5.603390 -8.170693 27 43 45 N -6.146019 -4.211423 -8.788329 27 46 46 N -5.697212 -3.188289 -8.694212 27 45 47 N 8.594186 8.355622 -3.944339 27 48 48 N 8.199738 7.802580 -3.052350 27 47 49 N 8.039063 -2.759187 -8.830631 27 50 50 N 8.821123 -3.042259 -8.078739 27 49 51 N -2.082446 -5.338456 -4.411252 27 52 52 N -3.026280 -5.691993 -3.920051 27 51 53 N -8.046843 -6.425553 -3.975079 27 54 54 N -7.697837 -6.356399 -2.911829 27 53 55 N 2.110523 3.019965 7.596971 27 56 56 N 2.736851 3.047450 6.667430 27 55 57 N -8.698482 2.612045 8.425539 27 58 58 N -8.781361 3.177489 7.460919 27 57 59 N 0.176339 3.347242 -3.423634 27 60 60 N 1.076539 2.689148 -3.540429 27 59 61 N 1.440052 -6.048117 -2.088935 27 62 62 N 1.613645 -5.353087 -1.226444 27 61 63 N 7.556950 5.463349 0.627436 27 64 64 N 8.114763 4.657838 0.082381 27 63 65 N -5.852763 -0.330231 3.607249 27 66 66 N -4.896035 -0.914833 3.605895 27 65 67 N -3.270737 7.232065 -1.153102 27 68 68 N -2.675050 7.877919 -0.456597 27 67 69 N 6.944314 4.678306 5.017334 27 70 70 N 6.985499 4.776307 3.901184 27 69 71 N -2.805387 -2.386895 -5.864075 27 72 72 N -1.765166 -1.968601 -5.871804 27 71 73 N 4.118975 -1.670565 -7.557103 27 74 74 N 4.436044 -2.726169 -7.351538 27 73 75 N -8.564164 -6.513738 3.557121 27 76 76 N -7.894746 -7.412584 3.524797 27 75 77 N 1.224895 -1.258178 -3.932217 27 78 78 N 1.567338 -0.843799 -4.916144 27 77 79 N 5.122463 -6.694627 5.931840 27 80 80 N 4.194400 -6.186594 6.302906 27 79 81 N -1.948689 -4.622342 4.136281 27 82 82 N -1.757888 -4.328518 3.071221 27 81 83 N 2.964865 4.984302 -7.910773 27 84 84 N 3.110477 6.049618 -8.228559 27 83 85 N 1.206747 6.208046 5.473797 27 86 86 N 0.452551 5.395403 5.306800 27 85 87 N -8.847265 1.029815 -2.434825 27 88 88 N -8.501116 0.917814 -1.374293 27 87 89 N -5.108959 1.141636 0.800186 27 90 90 N -4.989457 0.748707 -0.243086 27 89 91 N 7.954275 -3.274442 -1.445412 27 92 92 N 8.178620 -2.194818 -1.648317 27 91 93 N -0.909285 7.059655 2.608713 27 94 94 N -1.407986 6.073122 2.421261 27 93 95 N -2.626491 -8.886176 -6.015929 27 96 96 N -2.728721 -9.302093 -7.052101 27 95 97 N 6.539601 0.192538 9.379912 27 98 98 N 6.559647 0.264701 8.261216 27 97 99 N -1.129633 -0.698513 5.513770 27 100 100 N -0.812567 -1.130728 6.498528 27 99 101 N -3.328907 4.080875 -4.559358 27 102 102 N -2.974483 4.510169 -3.586126 27 101 103 N -7.105117 -7.139122 8.041538 27 104 104 N -7.126924 -7.017668 6.927149 27 103 105 N 3.625220 5.658742 -4.516736 27 106 106 N 3.096564 5.304967 -3.593451 27 105 107 N 5.850100 -2.144106 2.432005 27 108 108 N 6.665517 -2.613567 1.822258 27 107 109 N 1.685301 9.509488 1.960093 27 110 110 N 1.867613 8.409738 2.080087 27 109 111 N 8.448124 -4.477872 6.614045 27 112 112 N 8.060260 -5.276636 7.298607 27 111 113 N -5.660166 4.555500 0.822779 27 114 114 N -5.212051 5.102027 1.693176 27 113 115 N -0.793426 2.729559 -6.387217 27 116 116 N -1.236185 2.484856 -7.387803 27 115 117 N 3.686464 8.297419 6.330640 27 118 118 N 3.171630 8.570974 7.288347 27 117 119 N 8.425501 -9.070391 6.210074 27 120 120 N 7.312268 -9.060926 6.343162 27 119 121 N -5.182088 -2.365606 -2.539332 27 122 122 N -4.934742 -3.265904 -1.918548 27 121 123 N -6.969976 2.925633 3.717713 27 124 124 N -8.088558 2.997168 3.690346 27 123 125 N -7.380051 0.362529 -7.588614 27 126 126 N -7.114448 0.262659 -8.673313 27 125 127 N 1.448847 -8.638804 -4.190156 27 128 128 N 0.408574 -8.241094 -4.319575 27 127 129 N -0.191916 -7.355682 5.549786 27 130 130 N 0.547621 -7.802621 6.264222 27 129 131 N -8.299358 6.655612 8.174160 27 132 132 N -8.994416 6.372662 9.007181 27 131 133 N 8.692031 -8.224654 -7.881889 27 134 134 N 8.957311 -7.140805 -7.772409 27 133 135 N -1.045377 -7.547118 -0.933695 27 136 136 N -1.869693 -6.878963 -1.295857 27 135 137 N -7.867189 3.801989 -6.660317 27 138 138 N -6.840404 3.554207 -6.284274 27 137 139 N 3.649506 8.645187 -1.531235 27 140 140 N 4.486769 8.282117 -2.182589 27 139 141 N -7.058516 7.727119 4.936530 27 142 142 N -6.155408 8.356360 5.149937 27 141 143 N 5.387228 1.361593 4.520140 27 144 144 N 5.410028 1.745773 5.573219 27 143 145 N -1.721529 6.758939 8.786738 27 146 146 N -0.860653 6.964831 8.098558 27 145 147 N 4.064540 5.309697 0.579317 27 148 148 N 4.479402 5.505857 -0.443669 27 147 149 N 6.813069 -2.827058 -4.825464 27 150 150 N 6.555586 -3.784267 -5.349431 27 149 151 N -3.590852 -0.113614 -8.230556 27 152 152 N -3.638757 0.353051 -7.212216 27 151 153 N 1.398647 -8.285638 -8.162354 27 154 154 N 0.726438 -9.081247 -8.577360 27 153 155 N 7.160891 0.959529 -5.576828 27 156 156 N 8.242773 1.036456 -5.860915 27 155 157 N -5.179378 7.440974 8.767592 27 158 158 N -5.179200 8.548250 8.943746 27 157 159 N 4.130703 1.080674 -3.539077 27 160 160 N 4.183651 2.194090 -3.659881 27 159 161 N -0.946044 -4.796093 -7.256841 27 162 162 N -0.659372 -5.878903 -7.207533 27 161 163 N 5.763309 -6.052316 1.734691 27 164 164 N 5.317588 -5.738469 2.714447 27 163 165 N 3.649611 -2.480334 -0.130187 27 166 166 N 4.156652 -2.369506 -1.124025 27 165 167 N 3.312789 -0.908641 6.645152 27 168 168 N 4.183262 -1.192809 7.292156 27 167 169 N -3.819496 -5.854017 6.990089 27 170 170 N -2.895055 -5.920026 7.621072 27 169 171 N 6.764800 4.928686 -7.446047 27 172 172 N 7.306349 4.316069 -6.678901 27 171 173 N 3.216901 3.686342 3.071664 27 174 174 N 3.726790 4.390435 3.779727 27 173 175 N -7.619202 -2.799837 -4.926877 27 176 176 N -6.780332 -3.294918 -5.482108 27 175 177 N 5.543101 1.686537 -0.388228 27 178 178 N 6.143221 0.900734 -0.916868 27 177 179 N -7.819702 -3.766627 1.063439 27 180 180 N -7.614583 -3.090005 1.933609 27 179 181 N 6.050046 -7.104098 -3.678139 27 182 182 N 5.276234 -6.433533 -3.221359 27 181 183 N -9.068582 -1.508112 4.773906 27 184 184 N -8.340176 -1.831296 5.562618 27 183 185 N 7.833240 8.539046 2.150449 27 186 186 N 7.295829 8.892219 3.068897 27 185 187 N 1.769921 -4.169455 6.737923 27 188 188 N 0.768556 -4.154902 6.233795 27 187 189 N -2.005435 -0.294863 1.153225 27 190 190 N -2.156518 -0.930582 2.064338 27 189 191 N -1.849917 4.161509 -0.499234 27 192 192 N -2.122191 3.178485 -0.033809 27 191 193 N 0.179454 7.035571 -2.257867 27 194 194 N 0.593454 6.893400 -1.225646 27 193 195 N -1.622282 2.878837 7.736287 27 196 196 N -1.473535 3.087762 6.644815 27 195 197 N -0.387679 -2.769247 -0.273185 27 198 198 N -1.125595 -3.504081 -0.688625 27 197 199 N -4.584546 -7.464486 3.017485 27 200 200 N -3.994893 -8.269268 2.505894 27 199 201 N -5.845210 -4.113877 5.265641 27 202 202 N -5.399792 -3.394901 6.001689 27 201 203 N 0.153052 1.729806 3.469879 27 204 204 N 0.546304 2.244535 4.385027 27 203 205 N 4.513851 8.692808 -5.542541 27 206 206 N 5.278527 8.040315 -6.039144 27 205 207 N -7.472307 6.757427 -5.545743 27 208 208 N -7.285048 7.226576 -6.546704 27 207 209 N -4.443393 1.027292 6.657656 27 210 210 N -5.513164 1.362692 6.643963 27 209 211 N 1.178462 -1.116287 -9.034781 27 212 212 N 0.380939 -1.781296 -8.611922 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -3.420374 1.908863 3.504037 27 2 2 N -3.789203 2.958397 3.364284 27 1 3 N -6.970617 4.616441 -2.951412 27 4 4 N -7.668792 3.758873 -3.136392 27 3 5 N -1.694875 8.895843 6.017572 27 6 6 N -2.742053 8.614374 6.302674 27 5 7 N -8.757859 -6.663050 -0.750729 27 8 8 N -9.155364 -7.303908 -1.580416 27 7 9 N 4.465276 2.064378 -6.984623 27 10 10 N 3.365092 1.921548 -6.822500 27 9 11 N -4.167341 5.669101 7.093732 27 12 12 N -3.567829 5.163772 6.292286 27 11 13 N 2.083190 -5.681110 -4.418362 27 14 14 N 2.931244 -6.259374 -4.869477 27 13 15 N -4.653644 4.830173 -7.601552 27 16 16 N -4.101677 5.723408 -7.208421 27 15 17 N -6.229888 -7.614563 -2.705952 27 18 18 N -6.432831 -8.642920 -3.103929 27 17 19 N 5.321391 5.285775 6.674895 27 20 20 N 6.306618 5.209788 6.145136 27 19 21 N 0.313624 5.899361 -4.601864 27 22 22 N -0.129874 6.124003 -5.606819 27 21 23 N -5.987624 0.852308 -4.746042 27 24 24 N -4.973200 0.408037 -4.921143 27 23 25 N 1.492058 1.004137 -1.401264 27 26 26 N 1.122524 -0.045223 -1.262058 27 25 27 N -2.275672 -0.869252 -2.977814 27 28 28 N -3.280033 -1.347320 -2.837105 27 27 29 N 3.519381 -0.056184 1.315412 27 30 30 N 3.053402 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-7.119980 27 154 154 N 1.249112 -8.596306 -6.455181 27 153 155 N 7.382752 0.809568 -5.991232 27 156 156 N 8.029800 1.642692 -5.611331 27 155 157 N -6.216156 8.046917 8.737770 27 158 158 N -5.489530 8.461736 9.484112 27 157 159 N 4.252679 0.767438 -3.089107 27 160 160 N 5.305811 0.983433 -3.407462 27 159 161 N -0.989677 -5.736283 -5.912367 27 162 162 N -1.513769 -5.958048 -6.878410 27 161 163 N 6.270100 -4.911834 0.733470 27 164 164 N 6.613746 -5.837671 1.264340 27 163 165 N 3.991775 -2.686011 -0.642109 27 166 166 N 4.921486 -2.379562 -1.188749 27 165 167 N 3.432279 -0.524210 6.129998 27 168 168 N 3.390589 -0.526460 5.009576 27 167 169 N -3.794662 -5.841977 -9.188160 27 170 170 N -4.100042 -6.658868 -8.483518 27 169 171 N 6.892955 5.204206 -7.003564 27 172 172 N 5.839085 5.207279 -7.386233 27 171 173 N 3.907168 3.949828 2.708560 27 174 174 N 3.970991 4.491747 3.688018 27 173 175 N -7.345403 -2.148889 -4.791417 27 176 176 N -7.492475 -2.606180 -3.778330 27 175 177 N 7.264437 1.913200 0.107922 27 178 178 N 6.536863 1.096971 -0.140063 27 177 179 N -7.260072 -2.572512 1.873501 27 180 180 N -8.029868 -1.758655 1.827246 27 179 181 N 5.744878 -5.562264 -3.413614 27 182 182 N 5.730254 -6.318446 -2.585926 27 181 183 N 8.274975 -1.607977 5.615721 27 184 184 N 9.318856 -2.016913 5.628942 27 183 185 N 6.781913 8.922972 0.591408 27 186 186 N 7.410913 8.609550 1.465029 27 185 187 N 3.304065 -3.970621 6.251607 27 188 188 N 2.488391 -4.738885 6.290802 27 187 189 N -2.217000 -1.397317 1.590402 27 190 190 N -1.540608 -0.701704 1.028524 27 189 191 N -1.813166 3.225959 0.197872 27 192 192 N -0.806278 3.126347 -0.285186 27 191 193 N 1.246574 5.438252 -1.045182 27 194 194 N 0.379900 6.148883 -1.014037 27 193 195 N -1.685580 2.379179 7.539599 27 196 196 N -1.036076 2.307642 6.628494 27 195 197 N -0.686211 -5.039201 -0.827895 27 198 198 N -0.221367 -4.024094 -0.930694 27 197 199 N -3.985763 -7.589262 4.246910 27 200 200 N -4.896451 -7.197700 3.723062 27 199 201 N -4.733482 -3.772696 4.441207 27 202 202 N -5.807643 -4.077050 4.544343 27 201 203 N 0.544272 3.589579 3.081980 27 204 204 N 0.595784 2.494842 3.318596 27 203 205 N 5.636445 -9.640988 -6.271279 27 206 206 N 5.731023 -8.549909 -6.511472 27 205 207 N -7.479541 7.397286 -5.451896 27 208 208 N -7.828180 8.396689 -5.821671 27 207 209 N -7.828094 0.616302 7.567894 27 210 210 N -6.773129 0.727614 7.930865 27 209 211 N 0.270134 -2.638724 -9.145668 27 212 212 N 0.095242 -3.675144 -8.755366 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -1.729035 1.685070 3.078706 27 2 2 N -2.578078 2.024035 2.429617 27 1 3 N -6.843915 4.349675 -4.173899 27 4 4 N -6.542597 5.114479 -3.411421 27 3 5 N -2.282790 8.895712 7.117533 27 6 6 N -2.547343 8.610446 6.065998 27 5 7 N -8.478176 -6.986669 -1.116632 27 8 8 N -8.722213 -7.146384 -2.199234 27 7 9 N 4.018190 2.213772 -7.154294 27 10 10 N 3.584140 1.196646 -7.339077 27 9 11 N -5.283867 6.007241 8.050603 27 12 12 N -4.269745 5.571018 7.854756 27 11 13 N 2.020358 -5.490673 -2.681387 27 14 14 N 1.898980 -6.043367 -3.649316 27 13 15 N -3.632866 5.949189 -6.980516 27 16 16 N -4.231576 5.010748 -6.846486 27 15 17 N -5.521303 -7.884079 -3.804296 27 18 18 N -6.100428 -8.794777 -3.500433 27 17 19 N 5.605833 6.676326 7.996896 27 20 20 N 5.825743 5.662506 7.571576 27 19 21 N -0.316596 5.993240 -4.963488 27 22 22 N -0.842444 5.184329 -4.392317 27 21 23 N -5.662940 0.577032 -7.056075 27 24 24 N -5.612257 0.369602 -5.955396 27 23 25 N 0.047856 0.528314 -0.171179 27 26 26 N 1.059625 0.453048 -0.648407 27 25 27 N -1.756048 -0.190247 -2.871796 27 28 28 N -2.707706 -0.753416 -2.686657 27 27 29 N 3.173264 0.104783 1.908161 27 30 30 N 3.794801 0.836761 2.486943 27 29 31 N 6.905827 4.028944 -3.471437 27 32 32 N 7.467992 4.967249 -3.717694 27 31 33 N 0.791114 -2.657210 2.287268 27 34 34 N 1.282054 -2.622375 3.294668 27 33 35 N -6.891274 1.608573 1.573401 27 36 36 N -7.723562 1.983131 0.922177 27 35 37 N -7.049985 7.481746 0.535972 27 38 38 N -7.091238 8.598900 0.450203 27 37 39 N -4.500966 -4.961396 -6.671984 27 40 40 N -4.976183 -4.082226 -7.180235 27 39 41 N -3.822691 -8.045204 -0.233155 27 42 42 N -2.812964 -8.301922 0.181136 27 41 43 N 3.831381 -6.420021 -7.189256 27 44 44 N 4.346962 -5.470373 -6.890202 27 43 45 N -5.994606 -2.939975 8.073279 27 46 46 N -6.622685 -3.501412 7.333418 27 45 47 N 8.242914 8.149569 -2.358571 27 48 48 N 7.160756 8.026232 -2.092468 27 47 49 N 7.002698 -3.636672 8.697465 27 50 50 N 6.914187 -4.579670 9.297472 27 49 51 N -3.236815 -4.336732 -2.411258 27 52 52 N -2.903844 -4.290488 -3.480876 27 51 53 N 8.128418 -6.100402 -6.134499 27 54 54 N 7.467674 -6.907714 -5.723702 27 53 55 N 2.887114 2.645425 6.831587 27 56 56 N 3.506658 3.396043 7.388208 27 55 57 N -8.937493 5.754473 7.746918 27 58 58 N -8.297462 5.620249 6.836187 27 57 59 N 1.939153 1.938268 -4.283523 27 60 60 N 1.606495 2.828543 -3.688680 27 59 61 N 2.130237 -5.959449 1.158163 27 62 62 N 1.282700 -6.654258 0.921494 27 61 63 N 8.809638 5.336815 -0.744925 27 64 64 N 8.030798 5.250447 0.056973 27 63 65 N -6.173616 0.197771 4.721189 27 66 66 N -5.546974 -0.730405 4.667351 27 65 67 N -3.593241 7.203613 -1.636336 27 68 68 N -3.576963 7.031643 -2.744150 27 67 69 N -8.961197 6.049274 3.232825 27 70 70 N -9.118126 4.981579 3.536948 27 69 71 N -2.616897 -1.525884 -7.592516 27 72 72 N -2.672257 -0.972121 -6.619185 27 71 73 N 2.659180 -2.579649 -7.181400 27 74 74 N 3.062446 -2.550692 -8.227167 27 73 75 N -8.754893 -6.520846 2.250505 27 76 76 N -7.944464 -5.867079 1.834714 27 75 77 N -0.135773 -2.826789 -5.398753 27 78 78 N 0.527251 -2.863512 -4.495349 27 77 79 N 4.724779 -6.323189 4.474148 27 80 80 N 4.020202 -6.880367 3.803169 27 79 81 N -1.092931 -6.247473 5.298299 27 82 82 N -1.598169 -5.312886 4.940007 27 81 83 N 2.815277 5.459154 -8.126612 27 84 84 N 3.203218 6.434693 -7.733021 27 83 85 N 0.826368 5.782736 5.571328 27 86 86 N 1.460685 6.132380 6.427178 27 85 87 N 9.130956 0.471203 -2.328375 27 88 88 N 8.930616 1.517254 -1.978045 27 87 89 N -5.460817 0.518662 -1.169629 27 90 90 N -5.247596 1.177534 -2.051397 27 89 91 N 7.694111 -2.706945 -1.739776 27 92 92 N 6.682222 -2.849022 -1.278276 27 91 93 N -2.712335 6.258478 3.085549 27 94 94 N -1.955265 6.137030 2.267512 27 93 95 N -2.605482 -9.019181 -6.358086 27 96 96 N -3.517887 -8.938076 -7.004638 27 95 97 N 7.130367 1.867841 8.904097 27 98 98 N 6.374308 1.417723 8.209216 27 97 99 N -2.230207 -2.043311 6.344098 27 100 100 N -2.905266 -2.724523 6.924904 27 99 101 N -3.118987 2.776687 -4.446615 27 102 102 N -3.002913 2.444569 -5.511187 27 101 103 N -6.400857 -6.994178 5.529090 27 104 104 N -6.907405 -7.370302 6.455928 27 103 105 N 3.008018 5.983635 -3.314302 27 106 106 N 3.806725 5.551149 -3.971654 27 105 107 N 6.208168 -1.788135 1.851639 27 108 108 N 5.275688 -2.328484 2.160822 27 107 109 N 3.891090 5.973484 1.632839 27 110 110 N 3.190389 6.715939 2.096376 27 109 111 N 8.118944 -5.864618 6.263872 27 112 112 N 8.378994 -5.653244 5.193926 27 111 113 N -5.669604 4.586684 0.211273 27 114 114 N -4.811996 4.998667 0.804458 27 113 115 N -0.376119 3.056542 -8.011598 27 116 116 N -0.173438 3.062538 -6.908886 27 115 117 N 4.583667 8.604953 5.253679 27 118 118 N 4.427827 7.526073 4.991340 27 117 119 N 8.426450 8.951338 5.603919 27 120 120 N 7.727245 8.114788 5.865429 27 119 121 N -5.807972 -4.646009 -0.096001 27 122 122 N -6.675538 -4.080191 -0.525268 27 121 123 N -6.566871 3.365402 4.694943 27 124 124 N -5.752523 3.193635 5.446224 27 123 125 N -9.547983 -1.218903 -7.428545 27 126 126 N -8.617546 -1.843358 -7.390677 27 125 127 N -2.203075 -7.801443 -3.227590 27 128 128 N -1.348414 -7.232834 -2.776673 27 127 129 N 1.866673 -8.184136 8.039349 27 130 130 N 2.538239 -8.949286 7.569633 27 129 131 N 6.884976 -7.975394 -8.973508 27 132 132 N 7.942881 -8.173771 -9.287470 27 131 133 N -7.546603 -5.373232 -8.346948 27 134 134 N -8.213448 -5.881159 -9.091540 27 133 135 N 0.088267 -9.191760 3.288955 27 136 136 N -0.928232 -8.862738 2.949007 27 135 137 N -7.460579 5.520981 -7.483116 27 138 138 N -8.177082 4.673467 -7.323637 27 137 139 N 3.698096 9.423931 -0.924574 27 140 140 N 3.778801 8.843125 -1.880212 27 139 141 N -6.043636 7.816390 4.927023 27 142 142 N -5.775733 6.730377 4.850259 27 141 143 N 8.052008 1.470145 3.853884 27 144 144 N 8.387233 2.092956 4.723839 27 143 145 N -0.478642 7.886509 -8.406483 27 146 146 N -0.388912 6.795832 -8.162632 27 145 147 N 3.889880 3.431725 -1.400275 27 148 148 N 3.480383 3.536063 -0.361759 27 147 149 N 5.547441 -3.536371 -4.716734 27 150 150 N 6.270352 -2.967864 -5.358052 27 149 151 N -3.586467 1.999327 8.977780 27 152 152 N -3.264721 0.960175 8.706247 27 151 153 N 1.648728 -9.058853 -5.243769 27 154 154 N 1.385302 -8.614125 -6.238713 27 153 155 N 7.013173 1.306844 -6.480158 27 156 156 N 7.730973 1.287941 -5.619056 27 155 157 N -6.703932 -8.979830 -8.170895 27 158 158 N -6.680005 -9.080541 -9.287306 27 157 159 N 4.154981 0.290630 -2.757469 27 160 160 N 5.259538 0.107280 -2.698905 27 159 161 N -0.472944 -5.751373 -6.367871 27 162 162 N -0.979394 -6.442174 -7.091329 27 161 163 N 6.006214 -5.541966 0.989787 27 164 164 N 7.068606 -5.274518 1.228292 27 163 165 N 3.268098 -3.111516 -1.007216 27 166 166 N 2.921408 -3.038352 0.056524 27 165 167 N 4.859747 -0.666061 5.635902 27 168 168 N 4.806931 -1.072773 6.679398 27 167 169 N -3.643358 -5.621760 8.373177 27 170 170 N -4.453209 -6.357779 8.129241 27 169 171 N 6.782684 5.142767 -7.619986 27 172 172 N 6.349259 4.652417 -6.709608 27 171 173 N 5.288884 3.871892 4.446321 27 174 174 N 5.963435 4.714996 4.144253 27 173 175 N -7.447354 -4.872691 -4.266190 27 176 176 N -6.670837 -4.064177 -4.245773 27 175 177 N 7.053170 2.423518 0.412875 27 178 178 N 6.300668 1.601114 0.292534 27 177 179 N -8.473688 -2.146249 2.894569 27 180 180 N -8.487990 -1.677370 1.876219 27 179 181 N 6.292893 -6.574315 -2.263966 27 182 182 N 5.627316 -6.552536 -3.165977 27 181 183 N 8.475195 -0.653610 6.836069 27 184 184 N 9.074065 -1.479156 7.301815 27 183 185 N 7.126616 -9.361951 1.836050 27 186 186 N 7.287082 -8.807601 2.797318 27 185 187 N 4.413493 -4.293946 7.582362 27 188 188 N 3.702955 -4.855025 6.920989 27 187 189 N -4.308748 -1.572989 1.464810 27 190 190 N -3.323309 -1.165854 1.811569 27 189 191 N -1.683164 4.224353 -1.231773 27 192 192 N -0.806263 3.538853 -1.366767 27 191 193 N 0.266637 7.538498 -0.283114 27 194 194 N -0.004478 7.942868 -1.293099 27 193 195 N -0.822762 1.206996 6.860672 27 196 196 N -0.366204 2.192980 6.584125 27 195 197 N -0.652356 -2.896709 -1.063946 27 198 198 N -0.058958 -3.674478 -0.516181 27 197 199 N -4.352449 -7.306791 2.991417 27 200 200 N -4.483691 -8.420245 3.000567 27 199 201 N -5.517578 -4.423711 3.585482 27 202 202 N -4.729444 -4.203270 4.351864 27 201 203 N 1.570074 3.715438 3.360084 27 204 204 N 1.303206 3.577433 2.279886 27 203 205 N 5.792336 8.319502 -5.074536 27 206 206 N 4.936942 8.429005 -5.791055 27 205 207 N -9.495141 7.735813 -6.088214 27 208 208 N -8.687660 8.309990 -5.563444 27 207 209 N -7.165926 2.464913 8.264445 27 210 210 N -7.388205 1.385152 8.468886 27 209 211 N 0.488826 -4.204425 8.654970 27 212 212 N 0.313753 -4.124151 7.550436 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -3.322998 1.409253 2.793364 27 2 2 N -2.681474 0.489943 2.813443 27 1 3 N -5.963176 4.584578 -2.495464 27 4 4 N -6.334655 3.838196 -3.245135 27 3 5 N -2.173962 -8.508735 5.144927 27 6 6 N -2.794200 -8.915507 5.985718 27 5 7 N -8.705124 -7.692321 -0.892327 27 8 8 N -8.560989 -7.198962 -1.888777 27 7 9 N 3.315791 1.430066 -6.943461 27 10 10 N 4.270507 1.487252 -7.528556 27 9 11 N -5.501089 6.923517 8.172408 27 12 12 N -4.472721 6.629926 7.835731 27 11 13 N 2.176747 -5.848976 -2.535178 27 14 14 N 1.148602 -5.677011 -2.948017 27 13 15 N -4.940961 6.339672 -6.624452 27 16 16 N -4.752031 5.265287 -6.883472 27 15 17 N -6.161500 -5.647980 -4.550077 27 18 18 N -5.730154 -6.650818 -4.294447 27 17 19 N 5.172048 6.982121 8.651522 27 20 20 N 5.916779 6.283628 8.188303 27 19 21 N -1.505240 5.794131 -6.078088 27 22 22 N -0.593335 5.299868 -5.652387 27 21 23 N -5.747819 0.790464 -5.875238 27 24 24 N -6.572947 1.145475 -5.204253 27 23 25 N 0.523697 -0.096065 -0.126321 27 26 26 N -0.224674 0.459197 0.497148 27 25 27 N -1.503226 -0.951774 -2.675861 27 28 28 N -2.297611 -0.785199 -3.449355 27 27 29 N 4.355523 0.951571 3.649221 27 30 30 N 5.108896 1.159467 4.453146 27 29 31 N 6.106181 4.302494 -2.335909 27 32 32 N 6.557877 4.959416 -3.124270 27 31 33 N 1.476009 -2.293796 2.645722 27 34 34 N 0.804146 -1.521276 3.102780 27 33 35 N -6.753487 2.054953 1.747178 27 36 36 N -6.811189 1.677298 0.693073 27 35 37 N -7.650267 7.685121 0.736298 27 38 38 N -6.758187 8.191533 0.283717 27 37 39 N -3.749518 -2.477933 -6.682893 27 40 40 N -4.625796 -2.618527 -5.997722 27 39 41 N -3.701316 -9.140319 -1.086107 27 42 42 N -3.598414 -8.037950 -1.262979 27 41 43 N 3.485522 -6.346238 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27 67 69 N -8.985011 4.378572 2.665645 27 70 70 N -9.076166 4.555881 3.768977 27 69 71 N 0.186687 0.429601 -7.597180 27 72 72 N -0.348713 -0.359470 -7.007431 27 71 73 N 3.229331 -2.179569 -8.190750 27 74 74 N 2.174765 -2.434500 -8.473579 27 73 75 N -8.441382 -8.270295 2.999537 27 76 76 N -8.141124 -7.470428 3.725585 27 75 77 N 2.084478 -1.890710 -4.816846 27 78 78 N 1.786688 -2.569962 -3.975997 27 77 79 N 2.218103 -6.258689 3.502167 27 80 80 N 2.065540 -5.411008 2.784358 27 79 81 N -1.215572 -4.854309 3.909647 27 82 82 N -1.765341 -5.824414 3.792429 27 81 83 N 2.762423 5.729986 -7.794229 27 84 84 N 2.077678 6.332468 -7.142133 27 83 85 N 1.869315 7.334915 5.778615 27 86 86 N 1.710267 6.374620 6.335056 27 85 87 N -8.682930 0.032869 -2.656850 27 88 88 N -9.004697 0.801892 -1.907077 27 87 89 N -5.215692 0.774164 -2.245467 27 90 90 N -4.431335 1.266792 -1.613651 27 89 91 N 8.035644 -3.038572 -1.842899 27 92 92 N 7.429914 -2.095128 -1.833241 27 91 93 N -2.377583 4.924481 4.887280 27 94 94 N -2.618807 5.961090 4.534658 27 93 95 N -4.322799 -9.001464 -8.278523 27 96 96 N -3.655338 -8.349886 -7.656404 27 95 97 N 6.673777 2.352391 7.529049 27 98 98 N 6.865961 3.237259 8.190231 27 97 99 N -2.982873 -1.665429 5.261314 27 100 100 N -2.844269 -2.202030 6.235961 27 99 101 N -3.240977 2.858581 -5.129047 27 102 102 N -2.409115 2.201585 -5.494358 27 101 103 N -5.882613 -7.682074 6.088860 27 104 104 N -6.813128 -7.478103 6.680152 27 103 105 N 2.909515 4.974195 -3.020575 27 106 106 N 2.572031 5.144652 -4.076103 27 105 107 N 4.708730 -2.574132 3.148128 27 108 108 N 5.782616 -2.269195 3.252398 27 107 109 N 4.711951 6.070588 -0.068319 27 110 110 N 3.724781 5.930350 0.444435 27 109 111 N 7.160994 -5.904705 6.244499 27 112 112 N 7.357147 -6.544876 5.345170 27 111 113 N -4.413955 4.911227 1.115796 27 114 114 N -3.337232 5.121303 1.347367 27 113 115 N 0.038909 4.282627 -8.704657 27 116 116 N 0.477558 3.378421 -9.201735 27 115 117 N 4.286692 8.519269 3.630747 27 118 118 N 4.586740 9.576885 3.850995 27 117 119 N 8.692875 7.588676 5.875923 27 120 120 N 7.934123 8.411720 5.939037 27 119 121 N -5.188394 -4.878334 0.648138 27 122 122 N -6.104399 -5.478428 0.407491 27 121 123 N -5.382937 3.399334 5.447365 27 124 124 N -6.083316 3.733035 4.637919 27 123 125 N -8.111792 -1.694249 -6.859477 27 126 126 N -8.268541 -2.204084 -7.845676 27 125 127 N -2.373535 -8.206680 -4.907215 27 128 128 N -1.701972 -8.146110 -4.011435 27 127 129 N 3.405250 -8.342156 8.937690 27 130 130 N 2.527087 -8.882918 8.497809 27 129 131 N 7.762416 -7.824278 9.073406 27 132 132 N 6.791770 -7.917304 8.519977 27 131 133 N -6.875617 -5.498881 -7.951620 27 134 134 N -6.928005 -6.579371 -8.246382 27 133 135 N -0.531774 7.829461 2.131501 27 136 136 N 0.012222 7.043011 2.716868 27 135 137 N -8.905939 3.809043 -6.473621 27 138 138 N -7.981736 4.429171 -6.609193 27 137 139 N 3.221379 -8.333802 -0.046221 27 140 140 N 3.596747 -7.844205 0.889987 27 139 141 N -6.405850 7.351749 4.887817 27 142 142 N -6.410834 7.130395 3.788696 27 141 143 N 8.252447 1.526392 4.715538 27 144 144 N 8.678002 0.489200 4.730529 27 143 145 N -0.896156 8.774718 -8.797237 27 146 146 N -0.755746 7.686588 -9.028211 27 145 147 N 2.990055 2.428765 -0.125753 27 148 148 N 2.224949 2.808968 -0.851803 27 147 149 N 5.262604 -1.812357 -5.601947 27 150 150 N 5.381676 -2.135699 -4.535007 27 149 151 N -2.864293 2.535366 8.376575 27 152 152 N -2.574195 1.923258 7.483124 27 151 153 N 1.066621 -8.190189 -5.606643 27 154 154 N 0.984097 -8.855194 -6.505558 27 153 155 N 7.467751 0.578882 -6.209566 27 156 156 N 7.608452 0.959465 -7.254770 27 155 157 N -8.537543 7.436365 -7.584899 27 158 158 N -7.675043 8.149042 -7.657514 27 157 159 N 5.390546 1.410002 -3.436340 27 160 160 N 5.229667 0.889390 -2.456456 27 159 161 N -0.249043 -5.076277 -6.548581 27 162 162 N -1.132765 -5.661040 -6.914884 27 161 163 N 6.283721 -5.087343 0.756961 27 164 164 N 6.586341 -6.154312 0.592377 27 163 165 N 4.068704 -2.356095 -1.536973 27 166 166 N 3.970341 -2.133014 -0.442602 27 165 167 N 4.439902 -0.683129 7.602231 27 168 168 N 4.473080 0.437567 7.597092 27 167 169 N -3.498755 -6.242130 7.871486 27 170 170 N -3.247311 -5.308145 8.438527 27 169 171 N 5.239761 4.753895 -5.891626 27 172 172 N 5.968095 4.458556 -6.691246 27 171 173 N 5.677628 4.973772 3.735448 27 174 174 N 5.743145 4.864836 4.849417 27 173 175 N -6.366506 -2.393499 -3.097776 27 176 176 N -6.590510 -3.128136 -2.280941 27 175 177 N 7.060274 1.779317 0.364251 27 178 178 N 6.962779 1.283176 1.364965 27 177 179 N -8.973846 -3.833221 1.749034 27 180 180 N -8.815761 -4.793523 2.305738 27 179 181 N 5.904372 -4.866596 -2.928669 27 182 182 N 5.602421 -5.598354 -3.722676 27 181 183 N 8.800679 -2.937525 5.814020 27 184 184 N 8.217730 -2.245877 6.476502 27 183 185 N 7.228371 8.334404 1.737939 27 186 186 N 7.518891 7.251700 1.716972 27 185 187 N 3.995001 -4.603207 7.106352 27 188 188 N 3.810606 -4.020379 6.166459 27 187 189 N -6.135423 -1.771479 1.097060 27 190 190 N -5.318324 -1.245399 0.537884 27 189 191 N -0.782205 3.386381 -2.409118 27 192 192 N -1.500669 2.857200 -1.730247 27 191 193 N 0.443386 6.881869 -1.124669 27 194 194 N 0.381118 7.611343 -1.973833 27 193 195 N 0.052183 1.477100 5.383169 27 196 196 N 0.866666 0.750435 5.639419 27 195 197 N -2.117275 -3.033818 1.174628 27 198 198 N -1.337643 -2.888034 0.382155 27 197 199 N -4.927496 -7.791254 2.296010 27 200 200 N -3.949320 -8.198638 2.662477 27 199 201 N -5.458733 -4.441629 5.173604 27 202 202 N -5.076778 -4.172816 4.154319 27 201 203 N 2.579728 3.772452 3.332160 27 204 204 N 1.734189 3.378861 2.709874 27 203 205 N 5.266339 9.257396 -6.158249 27 206 206 N 4.663986 8.491708 -6.713212 27 205 207 N -8.913778 7.505976 -3.835837 27 208 208 N -8.217595 6.912185 -3.187892 27 207 209 N -6.894862 0.936759 8.566904 27 210 210 N -7.418105 1.169459 9.530832 27 209 211 N 0.287300 -2.862599 6.890560 27 212 212 N 0.705065 -3.840505 7.245893 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -2.980799 0.726836 2.628312 27 2 2 N -2.612215 1.103287 3.618018 27 1 3 N -5.889180 4.679018 -2.381675 27 4 4 N -5.934591 3.611676 -2.721981 27 3 5 N -0.818862 -9.349711 6.091608 27 6 6 N -0.235326 -8.452162 6.424744 27 5 7 N 9.554990 -5.847256 -1.681400 27 8 8 N 8.652779 -6.410435 -1.326528 27 7 9 N 3.447967 0.802935 -7.460007 27 10 10 N 3.911362 0.279717 -8.336705 27 9 11 N -3.219596 5.980192 8.482339 27 12 12 N -3.345282 6.594702 7.553001 27 11 13 N 1.475049 -7.250250 -2.735826 27 14 14 N 1.096552 -7.088407 -3.778724 27 13 15 N -5.896640 5.149691 -6.022884 27 16 16 N -6.146711 5.167813 -7.115690 27 15 17 N -5.087070 -4.919310 -5.669215 27 18 18 N -4.889640 -5.478989 -4.717968 27 17 19 N 5.633465 7.566721 8.630337 27 20 20 N 6.398009 6.885046 8.174399 27 19 21 N -1.594809 6.855820 -5.119494 27 22 22 N -2.120722 6.634314 -6.084605 27 21 23 N -4.744158 2.172673 -6.093833 27 24 24 N -4.105259 1.768079 -6.921603 27 23 25 N 0.590108 0.738300 -0.264975 27 26 26 N 0.561857 -0.338230 0.047073 27 25 27 N -1.928834 -0.520178 -3.657150 27 28 28 N -1.425820 -0.545197 -4.658868 27 27 29 N 4.468773 1.444978 3.203027 27 30 30 N 5.056453 2.171799 3.822262 27 29 31 N 4.977700 5.796206 -3.553169 27 32 32 N 4.631565 5.496920 -2.529593 27 31 33 N 1.113464 -2.905961 2.150740 27 34 34 N 1.632205 -2.354441 2.977676 27 33 35 N -7.081990 2.620777 1.124354 27 36 36 N -8.182226 2.639593 1.339334 27 35 37 N -6.850202 6.515935 0.461775 27 38 38 N -6.504954 7.095362 -0.433857 27 37 39 N -4.239190 -2.088555 -7.758745 27 40 40 N -5.142865 -1.703737 -7.218027 27 39 41 N -5.035260 -8.257122 -2.182069 27 42 42 N -6.026497 -7.780508 -1.964405 27 41 43 N 4.661227 -6.276213 -7.029003 27 44 44 N 3.943256 -6.368981 -6.172847 27 43 45 N -7.403126 -2.025073 8.465470 27 46 46 N -8.490502 -2.242035 8.631696 27 45 47 N 4.776208 8.860635 -1.763524 27 48 48 N 5.641165 9.281135 -1.187227 27 47 49 N 6.377724 -3.384273 8.672576 27 50 50 N 6.196355 -2.293640 8.858890 27 49 51 N -2.039773 -4.143790 -2.614982 27 52 52 N -2.905279 -3.435454 -2.535936 27 51 53 N 8.130439 -7.046653 -4.759537 27 54 54 N 7.536151 -7.478231 -5.606680 27 53 55 N 3.290493 2.920213 6.974864 27 56 56 N 3.224129 3.326554 8.017732 27 55 57 N -7.058828 5.425594 8.111679 27 58 58 N -8.122843 5.757372 8.233679 27 57 59 N 1.583508 0.576721 -4.011331 27 60 60 N 2.189499 0.068363 -3.216701 27 59 61 N -1.346775 -7.998943 0.393010 27 62 62 N -1.716673 -7.864192 -0.656803 27 61 63 N 9.074981 4.648756 -1.135347 27 64 64 N 8.209861 4.602060 -0.423675 27 63 65 N -7.017526 -1.687611 4.388063 27 66 66 N -6.661796 -0.630451 4.501900 27 65 67 N -2.641670 6.314396 -1.811759 27 68 68 N -3.036802 7.345393 -1.616805 27 67 69 N -9.197176 5.373946 2.905229 27 70 70 N -9.018545 4.964116 3.933441 27 69 71 N -0.628158 -0.322356 -8.298213 27 72 72 N 0.339580 -0.815392 -8.019844 27 71 73 N 2.453031 -3.420540 -9.034437 27 74 74 N 2.842074 -4.469012 -9.114709 27 73 75 N -6.026708 -8.415829 2.025897 27 76 76 N -6.888438 -8.048630 1.409719 27 75 77 N 1.803341 -3.049935 -4.378816 27 78 78 N 1.727679 -3.334563 -3.296988 27 77 79 N 1.268489 -6.353492 3.366209 27 80 80 N 2.270917 -5.854203 3.312021 27 79 81 N -2.623624 -5.635393 3.851841 27 82 82 N -3.459543 -5.498153 4.586344 27 81 83 N 2.198321 6.112495 -8.288894 27 84 84 N 3.237674 5.941368 -7.904772 27 83 85 N 1.774302 6.001721 6.562070 27 86 86 N 2.391661 6.896800 6.288589 27 85 87 N -8.473452 0.857136 -2.906284 27 88 88 N -8.463255 1.450782 -1.955196 27 87 89 N -3.655221 0.885028 -1.025601 27 90 90 N -2.615277 1.128344 -0.684420 27 89 91 N 8.509503 -2.925616 -1.658757 27 92 92 N 9.143731 -2.101132 -1.240344 27 91 93 N -1.318212 4.648233 4.715480 27 94 94 N -0.779689 4.110457 5.538815 27 93 95 N -5.435449 8.825099 -6.628098 27 96 96 N -5.856721 9.328142 -5.718941 27 95 97 N 6.803856 3.043215 7.420295 27 98 98 N 7.796761 3.554174 7.521042 27 97 99 N -3.382178 -2.103191 5.091328 27 100 100 N -3.013779 -2.294050 6.132935 27 99 101 N -1.073428 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-4.650235 27 126 126 N -8.864898 -2.524204 -5.023339 27 125 127 N -2.738843 -8.414855 -4.424466 27 128 128 N -2.094510 -7.593639 -4.015162 27 127 129 N 2.677143 -8.499914 8.405901 27 130 130 N 3.643872 -7.933547 8.447757 27 129 131 N 7.490863 -6.691139 8.150768 27 132 132 N 7.877290 -7.426306 8.903956 27 131 133 N -8.126566 -6.139331 -7.603741 27 134 134 N -7.408074 -6.817931 -8.133230 27 133 135 N 0.424395 7.158170 1.923005 27 136 136 N 0.108212 7.424799 0.880879 27 135 137 N 9.260175 4.696734 -4.885006 27 138 138 N 8.343924 4.525978 -4.261775 27 137 139 N 2.473803 -7.549339 0.352988 27 140 140 N 1.963700 -8.494216 0.675621 27 139 141 N -6.427108 7.706077 4.220373 27 142 142 N -5.550194 7.049954 4.460405 27 141 143 N 8.498461 0.603164 4.783963 27 144 144 N 7.716839 1.057313 5.447217 27 143 145 N -1.167800 8.912437 -8.401889 27 146 146 N -0.634122 7.978975 -8.719582 27 145 147 N 4.268938 2.448681 -0.901129 27 148 148 N 4.679797 3.206738 -0.184446 27 147 149 N 5.801520 -2.553620 -5.649416 27 150 150 N 5.891915 -3.055158 -4.650728 27 149 151 N -3.022522 1.600977 7.752499 27 152 152 N -2.236763 1.030905 7.191528 27 151 153 N 1.968159 8.916294 -6.947291 27 154 154 N 1.372022 8.547532 -6.072233 27 153 155 N 7.916508 0.235046 -7.625292 27 156 156 N 8.085334 0.975637 -6.800602 27 155 157 N 8.374627 7.552605 -7.524677 27 158 158 N 9.440739 7.899716 -7.522192 27 157 159 N 5.615669 2.089586 -4.418029 27 160 160 N 6.347594 2.022767 -3.571322 27 159 161 N -0.514718 -3.930943 -6.390497 27 162 162 N -0.287979 -4.885799 -6.932649 27 161 163 N 5.707764 -5.567339 1.616200 27 164 164 N 5.245832 -6.588069 1.658853 27 163 165 N 4.513382 -2.348782 -0.116718 27 166 166 N 4.474091 -1.489904 -0.836352 27 165 167 N 4.934397 -0.745982 6.141877 27 168 168 N 3.885759 -0.821829 6.531355 27 167 169 N -3.334253 -4.905233 8.905066 27 170 170 N -2.651149 -5.246250 8.083991 27 169 171 N 5.591717 3.762322 -7.486717 27 172 172 N 6.351746 4.586350 -7.507276 27 171 173 N 5.730246 6.109174 3.735775 27 174 174 N 5.309356 5.844370 4.740672 27 173 175 N -5.320363 -0.626523 -3.780334 27 176 176 N -5.521445 -1.152774 -2.810944 27 175 177 N 6.744475 0.638135 0.310025 27 178 178 N 7.629686 0.093716 -0.110805 27 177 179 N 9.295353 -4.049514 1.864961 27 180 180 N 8.687361 -3.815981 2.777592 27 179 181 N 5.276836 -5.231303 -2.217351 27 182 182 N 5.205642 -6.079803 -2.946782 27 181 183 N 7.343091 -3.259551 5.763518 27 184 184 N 8.351195 -2.770220 5.726499 27 183 185 N 8.200520 9.259454 1.929388 27 186 186 N 8.233386 8.215520 1.521700 27 185 187 N 4.602533 -5.425028 6.077648 27 188 188 N 4.064788 -4.526760 5.676359 27 187 189 N -6.907419 -1.373952 0.842845 27 190 190 N -6.505382 -0.428079 0.394760 27 189 191 N 0.653703 4.216300 -0.163757 27 192 192 N -0.406793 3.953783 0.088281 27 191 193 N 1.111218 7.893021 -2.240194 27 194 194 N 0.878054 6.856105 -2.597304 27 193 195 N 1.153224 0.618820 3.707337 27 196 196 N 1.346219 0.954607 4.759519 27 195 197 N -2.373073 -2.661639 0.848475 27 198 198 N -2.348200 -2.982277 1.922563 27 197 199 N -2.775041 9.053014 3.340399 27 200 200 N -2.706094 8.066525 2.812030 27 199 201 N -7.310022 -4.958921 6.279223 27 202 202 N -6.812505 -5.157497 5.294269 27 201 203 N 2.144028 4.879739 3.254228 27 204 204 N 2.097160 3.791191 2.989733 27 203 205 N 4.885526 8.313687 -5.387363 27 206 206 N 5.882359 8.143650 -5.871616 27 205 207 N -9.312288 7.836390 -3.121416 27 208 208 N -8.511924 7.874615 -3.905664 27 207 209 N -7.807253 1.480440 7.044713 27 210 210 N -7.657421 2.152030 7.929929 27 209 211 N 0.426656 -3.661331 6.500776 27 212 212 N -0.029030 -2.823055 5.911936 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.731384 0.183184 3.078046 27 2 2 N -4.969659 0.292883 2.262676 27 1 3 N -5.715670 4.912157 -2.804986 27 4 4 N -6.714406 5.397489 -2.960135 27 3 5 N -0.791218 -7.797331 6.221061 27 6 6 N -1.116435 -7.066087 7.006303 27 5 7 N 9.294334 -7.584785 -0.188558 27 8 8 N 8.813510 -6.956934 -0.983354 27 7 9 N 2.727053 1.721856 -8.444935 27 10 10 N 1.995458 1.308814 -7.702469 27 9 11 N -3.199260 5.499410 8.449039 27 12 12 N -4.223328 5.073465 8.284891 27 11 13 N 2.846974 -8.503933 -3.761542 27 14 14 N 2.003308 -7.987705 -4.289582 27 13 15 N -5.792454 5.042324 -6.570085 27 16 16 N -6.788134 4.717227 -6.970111 27 15 17 N -4.587430 -4.192974 -4.884991 27 18 18 N -5.354031 -4.813658 -4.351922 27 17 19 N 4.830518 7.630054 7.468355 27 20 20 N 5.360704 6.646569 7.561890 27 19 21 N -2.763874 5.602281 -4.676631 27 22 22 N -1.829614 6.006032 -5.146986 27 21 23 N -4.802270 1.433593 -6.456362 27 24 24 N -4.811244 2.136799 -7.329581 27 23 25 N 1.488414 0.167533 0.719449 27 26 26 N 0.571767 -0.357078 0.343113 27 25 27 N -1.419586 -0.336658 -5.420131 27 28 28 N -1.758564 -1.185914 -4.771327 27 27 29 N 3.659651 0.894257 3.402876 27 30 30 N 4.730812 1.214956 3.485671 27 29 31 N 4.507857 5.654226 -3.737829 27 32 32 N 4.951679 4.991504 -2.949851 27 31 33 N 2.450257 -2.469313 3.421959 27 34 34 N 1.447472 -2.023088 3.650860 27 33 35 N -6.745954 3.044542 0.231910 27 36 36 N -5.845404 3.701538 0.352138 27 35 37 N -6.467899 6.410858 1.110462 27 38 38 N -7.506834 6.694374 0.798495 27 37 39 N -4.786431 -2.409259 -8.597566 27 40 40 N -4.435152 -1.345707 -8.648070 27 39 41 N -5.737161 -8.016775 -2.049650 27 42 42 N -5.144789 -8.506751 -2.865804 27 41 43 N 6.520694 -5.149765 -7.044603 27 44 44 N 5.925651 -5.876010 -6.431754 27 43 45 N -9.054462 -1.764581 8.343076 27 46 46 N -9.046731 -0.676336 8.073347 27 45 47 N 6.219932 -9.258224 -3.018486 27 48 48 N 5.931738 -8.780277 -2.046067 27 47 49 N 6.156304 -2.093981 -9.500938 27 50 50 N 5.830273 -1.424184 -8.662985 27 49 51 N -1.709418 -4.195933 -1.711516 27 52 52 N -2.582705 -3.966424 -1.046847 27 51 53 N -8.647760 -7.579686 -4.294353 27 54 54 N -9.294607 -6.839721 -4.833918 27 53 55 N 3.443214 3.356074 6.426511 27 56 56 N 2.342932 3.560086 6.356881 27 55 57 N -7.569792 4.834617 7.370918 27 58 58 N -7.333069 5.650717 8.102375 27 57 59 N 2.849877 0.135170 -4.298243 27 60 60 N 1.808242 -0.172179 -4.019636 27 59 61 N -1.377763 -7.466310 -0.340892 27 62 62 N -1.380432 -7.401356 0.778423 27 61 63 N 7.060712 4.880640 -0.023923 27 64 64 N 8.135749 4.838253 0.291654 27 63 65 N -6.312259 -3.332421 3.786416 27 66 66 N -6.694516 -2.641035 4.582001 27 65 67 N -1.895004 7.495614 -0.534074 27 68 68 N -2.831942 7.800999 -1.068843 27 67 69 N -8.649926 5.051880 3.808168 27 70 70 N -9.111276 4.130435 4.249965 27 69 71 N -1.013235 -1.533147 -8.486786 27 72 72 N -0.250209 -1.023251 -9.130905 27 71 73 N 2.767707 -2.512077 -7.388006 27 74 74 N 2.672700 -3.403046 -8.061979 27 73 75 N -4.799491 -8.066510 1.765279 27 76 76 N -5.351636 -7.407604 2.485048 27 75 77 N 2.333150 -4.781395 -2.972982 27 78 78 N 1.601201 -4.047774 -3.400931 27 77 79 N 0.694031 -6.471305 3.411360 27 80 80 N 1.454380 -6.318512 2.601661 27 79 81 N -3.137833 -4.862328 3.960081 27 82 82 N -3.128816 -5.883262 4.423442 27 81 83 N 3.026327 5.528848 -8.596657 27 84 84 N 2.906149 5.154110 -7.546792 27 83 85 N 1.660269 7.659865 7.105613 27 86 86 N 1.592537 6.836791 6.347293 27 85 87 N -8.586775 1.059052 -2.956445 27 88 88 N -8.370935 2.023137 -2.426310 27 87 89 N -3.871493 0.676199 -0.932510 27 90 90 N -3.141034 -0.149534 -1.136680 27 89 91 N 8.563935 -3.159782 -2.649826 27 92 92 N 8.739637 -2.193439 -2.109088 27 91 93 N -1.482983 5.712657 5.408303 27 94 94 N -0.850602 5.422643 4.529056 27 93 95 N -6.309295 9.130129 -5.630650 27 96 96 N -6.587689 8.062001 -5.433957 27 95 97 N 7.148069 3.137143 6.561391 27 98 98 N 7.445017 2.200539 7.101469 27 97 99 N -3.534699 -2.581434 6.200363 27 100 100 N -2.622908 -2.184532 6.718238 27 99 101 N -0.922912 4.191920 -2.530663 27 102 102 N -1.786408 3.486489 -2.413055 27 101 103 N -5.546889 9.075849 8.220727 27 104 104 N -5.881175 8.505101 7.315416 27 103 105 N 0.700279 3.285367 -5.285008 27 106 106 N 1.622457 3.410000 -4.659593 27 105 107 N 6.113907 -1.485556 2.700393 27 108 108 N 5.545052 -2.323313 2.219085 27 107 109 N 4.081102 7.081094 -0.258262 27 110 110 N 3.561744 7.565593 0.609272 27 109 111 N -8.617921 -6.550103 3.436978 27 112 112 N -9.073683 -5.736132 4.058927 27 111 113 N -2.307247 2.579813 1.033668 27 114 114 N -2.545799 2.604051 2.128929 27 113 115 N -0.257496 4.116914 9.476865 27 116 116 N -0.543983 3.449515 8.622704 27 115 117 N 3.583571 -8.323642 4.700484 27 118 118 N 4.643779 -8.275895 5.062103 27 117 119 N 8.334831 7.357156 5.563585 27 120 120 N 9.185905 7.724945 6.194057 27 119 121 N -6.070358 -4.104997 -0.526148 27 122 122 N -5.444066 -3.769745 0.341293 27 121 123 N -5.605424 4.338796 3.994401 27 124 124 N -4.969081 3.707036 4.667482 27 123 125 N -8.307846 -2.307909 -6.534681 27 126 126 N -7.995473 -1.779188 -5.596615 27 125 127 N -2.368464 -8.032959 -4.489005 27 128 128 N -1.749646 -8.705619 -3.839635 27 127 129 N 2.748656 -7.445685 8.317884 27 130 130 N 3.617751 -7.673706 8.988531 27 129 131 N 7.627597 -6.223291 7.701243 27 132 132 N 7.163162 -6.828184 8.523128 27 131 133 N -6.964003 -5.269871 -8.053467 27 134 134 N -7.234552 -6.293738 -7.685244 27 133 135 N 0.198433 7.603491 2.335808 27 136 136 N 0.837725 8.238494 3.003016 27 135 137 N 8.650760 4.643612 -4.991406 27 138 138 N 8.221587 5.180188 -5.877401 27 137 139 N 1.951767 -6.967024 -0.784911 27 140 140 N 2.102289 -7.951012 -0.268964 27 139 141 N -7.096828 8.158288 3.937651 27 142 142 N -6.164341 7.561272 4.114086 27 141 143 N 8.809010 0.113761 3.795873 27 144 144 N 9.339987 0.576443 4.668271 27 143 145 N -3.011974 9.177848 -7.457772 27 146 146 N -3.258198 8.112908 -7.208042 27 145 147 N 3.846603 2.615493 -0.857053 27 148 148 N 3.451208 3.101453 0.072783 27 147 149 N 5.970782 -2.678817 -4.818697 27 150 150 N 5.031124 -2.181679 -5.175047 27 149 151 N -2.501952 0.994572 7.872231 27 152 152 N -2.821268 1.330017 6.851153 27 151 153 N 0.766976 7.760696 -6.993949 27 154 154 N 0.139351 8.684308 -7.094532 27 153 155 N 7.697325 0.395556 -5.506546 27 156 156 N 7.784764 0.780289 -6.556035 27 155 157 N 8.455187 7.781872 -8.570426 27 158 158 N 9.063085 8.405353 -7.864154 27 157 159 N 6.382470 2.356979 -3.386569 27 160 160 N 6.690541 1.892703 -2.413619 27 159 161 N -0.831749 -5.161265 -5.863747 27 162 162 N 0.053926 -5.223899 -6.548397 27 161 163 N 6.289627 -6.632698 1.608499 27 164 164 N 5.508969 -6.243035 2.312648 27 163 165 N 4.744812 -1.522225 -1.813426 27 166 166 N 5.573214 -1.591375 -1.061058 27 165 167 N 3.935732 -1.160196 6.425621 27 168 168 N 3.339813 -0.595385 7.189138 27 167 169 N -3.730834 -5.886882 -8.649885 27 170 170 N -2.679480 -5.509500 -8.553321 27 169 171 N 4.510565 2.710558 -6.117663 27 172 172 N 5.437878 3.308810 -6.315835 27 171 173 N 6.110364 5.364993 3.664237 27 174 174 N 5.515081 5.870656 4.468618 27 173 175 N -5.460096 -0.219594 -3.911774 27 176 176 N -5.598642 -1.163211 -3.322298 27 175 177 N 6.934013 1.670483 1.037641 27 178 178 N 7.971910 1.269577 0.899314 27 177 179 N 8.652276 -3.761653 1.145015 27 180 180 N 8.999983 -3.064116 1.951012 27 179 181 N 5.580777 -5.088909 -1.946665 27 182 182 N 5.526217 -5.405850 -3.020752 27 181 183 N 7.790894 -2.962935 5.335497 27 184 184 N 6.916697 -3.623994 5.099126 27 183 185 N 7.480675 8.534144 2.027496 27 186 186 N 7.406224 8.432607 0.913389 27 185 187 N 4.066380 -5.131461 5.366211 27 188 188 N 4.329498 -5.278306 6.446162 27 187 189 N -7.488029 -0.576381 0.511025 27 190 190 N -7.099096 -0.070023 -0.410616 27 189 191 N 1.149373 5.405983 0.010692 27 192 192 N 0.385784 4.792562 0.556345 27 191 193 N 1.278615 6.562092 -3.024193 27 194 194 N 0.970434 7.220063 -3.878118 27 193 195 N 0.204921 0.907487 4.243097 27 196 196 N 0.594972 0.864670 5.293389 27 195 197 N -1.790408 -1.795014 2.072200 27 198 198 N -1.461953 -2.795374 2.457544 27 197 199 N -2.836548 8.296420 3.662180 27 200 200 N -3.335538 8.949257 4.425005 27 199 201 N -6.260172 -5.793300 7.140336 27 202 202 N -7.231011 -5.259962 6.966805 27 201 203 N 2.746348 5.384079 2.846290 27 204 204 N 2.701489 4.328080 3.220381 27 203 205 N 4.652782 8.590817 -6.665783 27 206 206 N 5.725468 8.297692 -6.809005 27 205 207 N -8.366144 8.062962 -2.492694 27 208 208 N -9.301719 7.445240 -2.507105 27 207 209 N -6.329929 0.071395 6.686945 27 210 210 N -6.192804 1.182196 6.620556 27 209 211 N 0.950224 -3.741052 6.962618 27 212 212 N 1.049688 -4.390014 6.053748 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -4.317220 0.618583 2.685642 27 2 2 N -5.150290 0.053781 3.179687 27 1 3 N -5.527105 5.736099 -4.334948 27 4 4 N -5.969668 4.821447 -3.860986 27 3 5 N -0.327641 -7.835971 6.757042 27 6 6 N 0.146595 -8.239871 7.689272 27 5 7 N -8.354529 -8.009794 -0.635983 27 8 8 N -7.954864 -8.937695 -1.122148 27 7 9 N 2.806961 1.936171 -8.276697 27 10 10 N 2.838199 0.843940 -8.527983 27 9 11 N -4.974988 7.003000 8.091715 27 12 12 N -3.895373 6.858306 7.826041 27 11 13 N 2.557306 -7.601176 -4.203027 27 14 14 N 3.449354 -7.389497 -3.557634 27 13 15 N -6.014834 3.759575 -8.419015 27 16 16 N -4.991986 4.056999 -8.069144 27 15 17 N -4.458969 -3.942742 -4.090468 27 18 18 N -4.109729 -4.632612 -4.902380 27 17 19 N 5.889118 6.172539 9.201674 27 20 20 N 6.309902 5.332006 8.590501 27 19 21 N -2.313365 6.564298 -6.463787 27 22 22 N -2.414527 5.721303 -5.731521 27 21 23 N -3.769847 0.445441 -4.858483 27 24 24 N -3.592480 1.018229 -5.805872 27 23 25 N 1.597396 -0.779270 -0.071484 27 26 26 N 0.614721 -0.866113 -0.604304 27 25 27 N -0.998005 -2.534496 -4.291272 27 28 28 N -1.406619 -1.681810 -4.893808 27 27 29 N 2.369300 1.078713 2.424935 27 30 30 N 3.487329 1.094257 2.507745 27 29 31 N 3.597053 6.343760 -2.969872 27 32 32 N 3.965242 5.324349 -3.256798 27 31 33 N 1.967575 -2.348704 2.926775 27 34 34 N 1.783733 -2.561928 4.012053 27 33 35 N -7.116889 3.159589 -0.621675 27 36 36 N -7.124251 2.043311 -0.517001 27 35 37 N -6.027530 6.472561 0.175898 27 38 38 N -6.912008 6.827073 0.766753 27 37 39 N -5.008741 -0.222107 8.977172 27 40 40 N -4.735782 0.859341 8.862921 27 39 41 N -5.673115 -8.640566 -3.282532 27 42 42 N -6.429059 -7.929634 -3.707049 27 41 43 N 7.965331 -4.251957 -6.647126 27 44 44 N 7.917164 -5.307375 -7.022443 27 43 45 N -8.185699 -1.267807 7.563978 27 46 46 N -8.964021 -2.014453 7.257668 27 45 47 N 6.133367 -9.114309 -0.938222 27 48 48 N 5.855446 -8.132375 -0.473836 27 47 49 N 6.383587 -3.001680 -9.188757 27 50 50 N 5.459458 -2.542306 -8.750522 27 49 51 N -2.127367 -4.552901 -1.667588 27 52 52 N -1.329639 -3.907439 -1.215817 27 51 53 N 7.938887 -6.789284 -4.081650 27 54 54 N 8.561763 -7.700182 -3.883209 27 53 55 N 3.258467 3.895611 6.835575 27 56 56 N 3.270951 2.821901 7.158191 27 55 57 N -7.205938 4.891045 6.662463 27 58 58 N -7.801950 5.118224 7.584552 27 57 59 N 2.605367 0.513499 -5.159151 27 60 60 N 2.084088 -0.152738 -4.423293 27 59 61 N -1.320167 -7.134910 0.816132 27 62 62 N -0.943693 -7.771794 -0.026327 27 61 63 N 7.814601 5.649040 0.663298 27 64 64 N 8.331235 4.986627 -0.079257 27 63 65 N -5.390435 -3.122547 4.286881 27 66 66 N -6.396305 -2.938791 3.826935 27 65 67 N -2.817538 7.796800 -1.626621 27 68 68 N -3.121786 7.869360 -2.703310 27 67 69 N -8.900750 3.529132 3.675114 27 70 70 N -8.261409 3.816319 2.799981 27 69 71 N -0.830262 0.350893 -8.077261 27 72 72 N -1.612285 -0.442235 -7.948888 27 71 73 N 1.992512 -2.360871 -7.117800 27 74 74 N 1.670994 -2.475137 -8.185817 27 73 75 N -5.455529 -7.895517 1.708358 27 76 76 N -5.178382 -8.928746 2.044089 27 75 77 N 1.626897 -4.658026 -3.230403 27 78 78 N 2.372598 -3.846809 -3.023169 27 77 79 N 1.522937 -6.220861 4.873497 27 80 80 N 1.369574 -6.010172 3.783002 27 79 81 N -2.634295 -6.422202 3.878563 27 82 82 N -2.643722 -5.768899 4.789715 27 81 83 N 3.851599 4.978126 -6.800608 27 84 84 N 2.876643 5.501397 -6.619673 27 83 85 N 2.157351 7.142482 8.791004 27 86 86 N 2.439456 7.826581 7.948677 27 85 87 N -8.362829 1.647048 -6.406472 27 88 88 N -7.459886 2.194565 -6.029631 27 87 89 N -3.528480 0.035521 -0.740156 27 90 90 N -2.676950 -0.087093 -1.459151 27 89 91 N 9.645191 -3.128128 -3.661333 27 92 92 N 8.588323 -2.842789 -3.419051 27 91 93 N -0.214267 5.820783 6.194393 27 94 94 N -1.134269 5.313337 5.803004 27 93 95 N -7.934240 7.751602 -6.077544 27 96 96 N -7.503876 6.982575 -6.770707 27 95 97 N 6.397000 1.349849 8.095889 27 98 98 N 7.017877 2.199584 7.709171 27 97 99 N -2.706758 -1.041064 5.354258 27 100 100 N -2.196607 -1.081718 6.351847 27 99 101 N -2.125195 3.506680 -2.322031 27 102 102 N -2.557204 2.754443 -3.032380 27 101 103 N -8.114444 8.389170 8.900781 27 104 104 N -7.703463 9.150841 8.188011 27 103 105 N 0.424137 3.639121 -4.909056 27 106 106 N 1.137787 3.342564 -4.096747 27 105 107 N 5.451944 -1.942755 3.741382 27 108 108 N 6.070840 -2.578363 3.055773 27 107 109 N 4.412546 6.603630 0.590785 27 110 110 N 3.616700 7.315045 0.933722 27 109 111 N -7.543045 -6.840627 4.955027 27 112 112 N -8.387563 -7.122750 5.636410 27 111 113 N -0.910688 3.247319 1.349606 27 114 114 N -1.558237 2.335111 1.274462 27 113 115 N -0.479970 4.099377 -8.224910 27 116 116 N -0.441446 3.596463 -9.226250 27 115 117 N 3.493859 8.535745 4.730087 27 118 118 N 3.733224 9.594848 4.450634 27 117 119 N 6.989599 6.838096 6.145917 27 120 120 N 7.750809 7.633853 5.935154 27 119 121 N -5.025605 -3.692187 0.529491 27 122 122 N -5.396289 -4.231911 -0.380664 27 121 123 N -3.820669 4.947255 2.793001 27 124 124 N -4.603455 4.200249 3.086801 27 123 125 N -7.036299 -2.942269 -7.004284 27 126 126 N -6.838725 -1.896350 -6.651995 27 125 127 N -2.433271 -7.617583 -4.787956 27 128 128 N -1.477625 -7.630797 -4.201735 27 127 129 N 3.225790 -7.148180 -9.343774 27 130 130 N 3.592798 -6.424066 -8.570434 27 129 131 N 6.700999 -6.884499 7.564390 27 132 132 N 6.588838 -7.443762 6.599126 27 131 133 N -7.305285 -6.292221 -6.893989 27 134 134 N -7.642991 -6.836914 -7.813964 27 133 135 N 0.462078 8.950175 2.990128 27 136 136 N 0.291897 8.452495 3.980301 27 135 137 N 8.415527 4.598767 -6.742749 27 138 138 N 7.663483 5.400069 -6.520407 27 137 139 N 2.037761 -6.046071 0.184526 27 140 140 N 2.510951 -7.061206 0.236320 27 139 141 N -7.303093 8.141604 4.809383 27 142 142 N -6.812878 7.165190 4.557601 27 141 143 N -8.688660 -0.197212 3.898951 27 144 144 N -9.457856 -0.996198 3.734488 27 143 145 N -5.018549 -8.510312 -6.815054 27 146 146 N -4.272168 -8.929562 -7.539095 27 145 147 N 3.506850 1.982211 -1.749431 27 148 148 N 4.386927 2.213674 -1.094466 27 147 149 N 5.348195 -1.836238 -5.295756 27 150 150 N 5.388854 -1.701299 -4.183448 27 149 151 N -3.997913 3.516591 7.004009 27 152 152 N -3.141672 2.820706 7.203213 27 151 153 N 0.814373 -8.777234 -7.099659 27 154 154 N -0.262104 -8.886549 -7.393494 27 153 155 N 7.097548 0.014009 -7.074432 27 156 156 N 7.951179 -0.337477 -7.710720 27 155 157 N 7.471251 -8.963192 -8.116007 27 158 158 N 7.624935 -8.532008 -7.092508 27 157 159 N 8.123187 2.714014 -2.917342 27 160 160 N 8.797055 1.929532 -3.350450 27 159 161 N -0.546314 -4.861391 -6.907045 27 162 162 N 0.457754 -5.048475 -6.444513 27 161 163 N 5.605373 -6.547990 2.939204 27 164 164 N 5.122867 -5.599809 2.585324 27 163 165 N 5.007379 -1.295036 -0.512070 27 166 166 N 6.066992 -1.318578 -0.877793 27 165 167 N 3.615522 0.195567 5.771242 27 168 168 N 4.044944 -0.673029 6.335357 27 167 169 N -3.524673 -5.563558 -8.887012 27 170 170 N -3.397218 -4.451549 -8.821601 27 169 171 N 5.350431 2.097202 -4.919889 27 172 172 N 6.060625 2.692456 -5.551066 27 171 173 N 6.245197 4.647517 4.263412 27 174 174 N 6.044799 3.565828 4.479922 27 173 175 N -6.053205 -1.075864 -2.770696 27 176 176 N -6.454596 -0.054333 -2.999717 27 175 177 N 7.718391 1.828395 1.580551 27 178 178 N 6.989383 1.021975 1.306100 27 177 179 N 9.025993 -4.107484 -0.017589 27 180 180 N 8.671559 -5.045871 0.483306 27 179 181 N 5.254213 -4.851542 -1.193778 27 182 182 N 6.207290 -4.903585 -1.782019 27 181 183 N 7.659159 -4.913712 4.860571 27 184 184 N 8.416960 -4.090589 4.933347 27 183 185 N 7.892870 9.278223 2.274482 27 186 186 N 8.244695 8.329483 2.757391 27 185 187 N 4.045111 -4.913341 6.385553 27 188 188 N 4.756026 -4.056844 6.520091 27 187 189 N -8.024995 -0.875230 0.467100 27 190 190 N -8.349340 -1.160901 -0.567444 27 189 191 N -0.049095 6.330806 -0.982202 27 192 192 N 0.886881 5.902841 -0.537361 27 191 193 N 0.170240 7.945205 -4.416084 27 194 194 N 0.615910 6.934156 -4.225700 27 193 195 N 0.404136 0.916376 7.007970 27 196 196 N 0.519302 1.351313 5.981006 27 195 197 N -1.408332 -1.113439 2.066537 27 198 198 N -1.790632 -2.111263 1.727002 27 197 199 N -3.532005 8.561217 4.749263 27 200 200 N -2.603556 7.932670 4.748764 27 199 201 N -6.352205 -3.957555 7.962211 27 202 202 N -6.616173 -4.947125 7.505963 27 201 203 N 2.391640 5.416406 3.428897 27 204 204 N 2.613171 4.318605 3.375558 27 203 205 N 4.566906 8.762609 -6.858393 27 206 206 N 4.540538 8.047730 -5.995061 27 205 207 N 7.856462 5.783426 -2.921623 27 208 208 N 8.862219 6.095196 -3.306774 27 207 209 N -6.604497 1.687841 5.977221 27 210 210 N -7.699734 1.701107 6.216742 27 209 211 N -0.050773 -4.472949 7.649268 27 212 212 N -0.773593 -3.939349 6.978529 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.145482 0.992872 3.146912 27 2 2 N -5.271278 0.485307 2.155125 27 1 3 N -6.427337 3.605213 -4.027926 27 4 4 N -6.478334 4.665542 -4.388748 27 3 5 N -2.732096 -7.876461 7.280680 27 6 6 N -1.875220 -7.388436 6.747121 27 5 7 N -8.456566 -8.010376 -1.555291 27 8 8 N -7.718435 -8.533809 -0.893273 27 7 9 N 3.440730 1.444959 -8.672456 27 10 10 N 3.480268 2.320875 -7.973672 27 9 11 N -3.506371 5.611079 7.338673 27 12 12 N -4.359598 6.336721 7.389025 27 11 13 N 2.973087 -9.009002 -2.477942 27 14 14 N 3.355964 -8.503688 -1.553198 27 13 15 N -5.351279 4.716455 -8.144364 27 16 16 N -4.851951 3.906597 -7.551162 27 15 17 N -5.179256 -3.783618 -3.764709 27 18 18 N -5.838506 -4.572886 -4.211402 27 17 19 N 5.683196 6.119766 -8.014832 27 20 20 N 5.739603 5.806908 -9.090019 27 19 21 N -1.215246 6.488485 -6.661248 27 22 22 N -2.314936 6.295418 -6.558796 27 21 23 N -2.727358 2.863488 -5.345271 27 24 24 N -2.131596 1.929508 -5.518011 27 23 25 N 1.171983 -1.519573 -1.188481 27 26 26 N 1.086521 -1.982936 -2.205870 27 25 27 N -1.845727 -2.209606 -5.119733 27 28 28 N -1.939454 -2.794375 -4.167709 27 27 29 N 3.042656 1.893992 1.104638 27 30 30 N 2.745868 1.177477 1.914335 27 29 31 N 4.720992 4.776937 -2.663932 27 32 32 N 5.416985 5.439695 -2.086494 27 31 33 N 0.974948 -1.915177 2.546886 27 34 34 N 1.101719 -1.325469 3.492012 27 33 35 N -8.194703 2.342635 -0.269182 27 36 36 N -8.031536 2.814299 -1.273174 27 35 37 N -6.308810 5.732792 -0.692774 27 38 38 N -6.254890 5.702531 0.426720 27 37 39 N -3.982925 -1.216781 -7.667479 27 40 40 N -3.726368 -0.135651 -7.517731 27 39 41 N -4.653256 -8.060501 -4.254455 27 42 42 N -5.570679 -7.834042 -3.651013 27 41 43 N 7.618150 -3.690955 -5.403117 27 44 44 N 6.709833 -3.966544 -5.999859 27 43 45 N -8.411882 -2.053434 7.839822 27 46 46 N -9.241915 -1.394480 8.205766 27 45 47 N 6.521566 -9.557045 -1.240753 27 48 48 N 6.735588 -8.685101 -0.569191 27 47 49 N 6.181194 -4.526228 8.444244 27 50 50 N 7.209181 -4.136619 8.223933 27 49 51 N -2.511869 -3.135943 -1.023422 27 52 52 N -2.653342 -4.224032 -1.253936 27 51 53 N 8.308339 -7.498897 -5.190162 27 54 54 N 7.225637 -7.336049 -4.948651 27 53 55 N 3.654671 3.956635 7.028268 27 56 56 N 2.647523 4.382257 7.276436 27 55 57 N -8.242086 5.931945 8.322229 27 58 58 N -8.163765 4.875014 7.956373 27 57 59 N 1.690301 0.605851 -5.398823 27 60 60 N 1.146002 0.382903 -4.444296 27 59 61 N -2.798265 -6.384744 1.895429 27 62 62 N -2.054918 -7.103983 1.462737 27 61 63 N 7.943111 6.408414 1.175542 27 64 64 N 8.322996 6.311665 0.125105 27 63 65 N -6.181935 -2.786251 3.871143 27 66 66 N -6.981539 -2.644066 4.644129 27 65 67 N -2.469833 8.264395 -1.258898 27 68 68 N -1.803871 7.551878 -1.811985 27 67 69 N -8.752346 3.329212 3.324332 27 70 70 N -7.944077 4.020788 2.970053 27 69 71 N -0.085314 0.247316 -8.448283 27 72 72 N -0.487348 -0.765482 -8.184278 27 71 73 N 3.971460 -1.678047 -7.644000 27 74 74 N 3.091941 -1.795194 -8.329430 27 73 75 N -5.378910 8.497104 1.184007 27 76 76 N -5.010967 9.556102 1.199115 27 75 77 N 1.462601 -5.149782 -3.872712 27 78 78 N 2.493044 -4.732971 -3.725930 27 77 79 N 1.176468 -6.783975 4.274446 27 80 80 N 0.074296 -6.917149 4.117694 27 79 81 N -3.102986 -4.166403 5.342077 27 82 82 N -3.779018 -5.044409 5.171266 27 81 83 N 1.670824 4.374710 -6.293020 27 84 84 N 2.249495 4.281754 -5.337202 27 83 85 N 3.824854 -9.437373 8.174468 27 86 86 N 3.807714 -8.322507 8.056702 27 85 87 N -7.189100 0.846365 -6.269610 27 88 88 N -7.090327 1.258256 -7.307723 27 87 89 N -2.058682 0.290949 -1.371573 27 90 90 N -2.413078 0.244134 -2.434259 27 89 91 N -9.188558 -4.393347 -2.618212 27 92 92 N -8.472252 -3.818832 -1.974841 27 91 93 N 0.142723 7.875851 6.370949 27 94 94 N -0.526041 6.982982 6.483329 27 93 95 N -7.134527 8.719179 -6.101124 27 96 96 N -7.592698 7.963346 -6.790969 27 95 97 N 6.882260 2.054857 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122 N -5.401458 -6.093178 -0.849541 27 121 123 N -4.469008 4.440835 2.891069 27 124 124 N -4.492389 4.609057 3.999331 27 123 125 N -7.901261 -2.992105 -7.100131 27 126 126 N -7.755530 -2.461213 -6.123399 27 125 127 N -1.746692 -6.231490 -4.810115 27 128 128 N -1.701164 -6.645438 -3.769123 27 127 129 N 4.282662 -6.447634 -7.416522 27 130 130 N 3.482330 -5.664998 -7.352971 27 129 131 N 7.474597 -6.987628 5.705095 27 132 132 N 7.788058 -8.012501 6.034440 27 131 133 N -8.131421 -6.082073 -7.453249 27 134 134 N -7.108457 -6.252517 -7.027124 27 133 135 N 0.151291 8.300129 2.103637 27 136 136 N -0.591270 7.924699 1.352142 27 135 137 N 8.729801 4.727919 -6.942692 27 138 138 N 8.819572 4.417673 -5.869016 27 137 139 N 1.639358 -5.851746 0.085986 27 140 140 N 2.512280 -5.971514 0.779350 27 139 141 N -7.714513 7.185290 4.527063 27 142 142 N -7.065483 7.688942 3.764053 27 141 143 N 9.276734 -0.147268 3.753594 27 144 144 N 8.834723 0.275637 4.693204 27 143 145 N -4.241789 8.814783 -7.916142 27 146 146 N -3.196102 9.152171 -7.692985 27 145 147 N 3.013753 1.577501 -2.171830 27 148 148 N 4.106276 1.797497 -2.049011 27 147 149 N 4.831125 -2.079481 -4.001016 27 150 150 N 3.988010 -1.370015 -4.208150 27 149 151 N -1.765323 3.127365 5.422384 27 152 152 N -2.577374 2.357393 5.491687 27 151 153 N 1.068742 -8.805051 -7.184239 27 154 154 N 0.963588 -8.718113 -8.297107 27 153 155 N 7.197675 -0.851471 -6.896094 27 156 156 N 7.626705 0.184396 -6.897777 27 155 157 N 7.499016 -8.302291 -8.586707 27 158 158 N 7.007940 -9.291009 -8.782588 27 157 159 N 8.432765 0.925086 -3.826847 27 160 160 N 7.775869 0.464959 -3.043353 27 159 161 N 0.589413 -3.991795 -8.026713 27 162 162 N 0.682330 -3.910155 -6.912356 27 161 163 N 4.611391 -7.997500 3.959920 27 164 164 N 4.630159 -7.077348 3.319562 27 163 165 N 5.724980 -1.561973 -0.894111 27 166 166 N 6.835293 -1.453409 -1.005949 27 165 167 N 4.126750 -0.098343 5.998834 27 168 168 N 4.138394 -1.006791 6.655854 27 167 169 N -2.609053 -4.728687 -9.035804 27 170 170 N -2.773484 -4.277316 -8.022732 27 169 171 N 5.520792 3.009984 -5.195644 27 172 172 N 5.040201 2.009618 -5.354981 27 171 173 N 5.077382 3.908452 3.653949 27 174 174 N 5.599147 4.743997 4.189406 27 173 175 N -6.605132 0.306535 -2.651618 27 176 176 N -6.693422 -0.802144 -2.793488 27 175 177 N 6.587428 2.544753 0.806469 27 178 178 N 6.760663 1.464681 1.052484 27 177 179 N 8.173895 -5.606052 0.580053 27 180 180 N 7.567463 -4.663773 0.542123 27 179 181 N 5.278286 -5.072128 -1.632965 27 182 182 N 5.857869 -4.817189 -2.558266 27 181 183 N 7.880068 -3.683411 4.590642 27 184 184 N 8.434528 -4.285374 3.824284 27 183 185 N 8.561205 -7.918258 2.949576 27 186 186 N 8.768269 -8.498383 2.012736 27 185 187 N 4.613126 -3.570173 4.362101 27 188 188 N 4.665260 -4.394518 5.120274 27 187 189 N -8.305490 -2.288500 1.256644 27 190 190 N -7.668178 -1.735354 0.518435 27 189 191 N 1.215292 4.611572 -0.972133 27 192 192 N 2.054280 5.209719 -0.530082 27 191 193 N 1.119600 7.325811 -4.232135 27 194 194 N 1.032891 6.585953 -3.394173 27 193 195 N 1.065427 1.270373 6.052839 27 196 196 N 0.343095 0.429252 6.219687 27 195 197 N -2.625584 -3.151553 2.046201 27 198 198 N -2.602916 -2.078133 2.369228 27 197 199 N -3.828177 7.848782 4.502706 27 200 200 N -2.870225 7.992378 3.938086 27 199 201 N -5.887325 -4.298666 7.270443 27 202 202 N -6.091322 -4.526494 8.349132 27 201 203 N 1.801139 4.426354 3.796259 27 204 204 N 0.782466 4.194656 3.389182 27 203 205 N 4.255650 8.853524 -5.837881 27 206 206 N 4.133426 8.097922 -5.018603 27 205 207 N 8.145227 7.457970 -3.749354 27 208 208 N 8.974210 6.791476 -3.394868 27 207 209 N -7.129009 2.060381 6.548598 27 210 210 N -6.478285 1.793228 7.421683 27 209 211 N 0.627865 -3.296062 7.092293 27 212 212 N 1.578975 -3.327177 6.499410 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -4.817286 1.695485 2.305657 27 2 2 N -5.809536 2.097941 2.638157 27 1 3 N -3.911493 3.564920 -4.256673 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2.286817 1.088803 1.609603 27 30 30 N 2.072042 2.037916 2.166509 27 29 31 N 5.166282 4.869305 -2.176825 27 32 32 N 4.648501 5.646092 -2.797787 27 31 33 N 2.047116 -2.238223 4.410702 27 34 34 N 1.682120 -2.285545 3.351632 27 33 35 N 8.503605 1.136572 -0.848613 27 36 36 N 9.315918 1.736337 -0.361253 27 35 37 N -6.583376 5.588300 0.014599 27 38 38 N -7.393105 6.309660 -0.270127 27 37 39 N -3.620061 -1.370881 -6.661030 27 40 40 N -4.395929 -0.778446 -7.212518 27 39 41 N -4.923669 -8.873180 -3.085495 27 42 42 N -5.644147 -8.048749 -3.326983 27 41 43 N 7.143497 -4.248287 -6.054521 27 44 44 N 7.481726 -4.089326 -4.997439 27 43 45 N 9.364815 -1.156025 7.473809 27 46 46 N 8.713994 -1.883631 8.025272 27 45 47 N 6.606189 9.171966 -0.711034 27 48 48 N 5.495762 9.083744 -0.838538 27 47 49 N 7.878761 -5.292514 8.535566 27 50 50 N 8.786838 -5.770103 8.987665 27 49 51 N -3.168915 -5.406641 -1.800157 27 52 52 N -4.176660 -4.945635 -1.970488 27 51 53 N 7.557853 -8.655126 -3.981712 27 54 54 N 8.101584 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153 N 1.224806 -9.429672 -6.832973 27 154 154 N 1.980651 -8.698755 -7.222266 27 153 155 N 5.623432 1.482240 -8.898685 27 156 156 N 6.311311 0.605552 -9.022510 27 155 157 N 7.472872 8.632160 -8.033467 27 158 158 N 8.550070 8.488117 -8.309118 27 157 159 N -9.287997 1.080428 -4.907965 27 160 160 N -8.764461 1.903653 -4.355422 27 159 161 N 1.385725 -5.188719 -8.021480 27 162 162 N 0.977553 -4.235968 -7.593988 27 161 163 N 5.248542 -6.195767 3.712196 27 164 164 N 5.897935 -6.962211 4.210134 27 163 165 N 4.968974 -1.411704 -0.932979 27 166 166 N 6.001621 -1.252809 -1.339773 27 165 167 N 4.023807 0.590133 5.511398 27 168 168 N 4.375505 -0.327345 6.051427 27 167 169 N -2.223949 -5.106713 -8.369690 27 170 170 N -2.026173 -4.502287 -9.293076 27 169 171 N 5.764630 2.404792 -5.086251 27 172 172 N 5.025585 3.244585 -5.011104 27 171 173 N 3.776077 5.031948 3.930252 27 174 174 N 4.823929 4.640020 4.004317 27 173 175 N -6.224092 -0.188623 -3.823310 27 176 176 N -6.170112 -1.198162 -4.308086 27 175 177 N 5.349481 2.229295 -0.067451 27 178 178 N 5.613443 1.729898 0.901062 27 177 179 N 8.423769 -5.373803 1.486034 27 180 180 N 8.152314 -5.302656 0.400521 27 179 181 N 5.128179 -5.754940 -2.677298 27 182 182 N 5.447225 -5.991123 -1.628718 27 181 183 N 9.121450 -3.925754 5.229650 27 184 184 N 8.319219 -3.924881 4.446378 27 183 185 N 9.092534 -9.125332 2.557350 27 186 186 N 8.093375 -8.702452 2.274606 27 185 187 N 5.038956 -4.636758 6.862242 27 188 188 N 5.083889 -3.867474 6.047826 27 187 189 N -8.621418 -2.332805 -0.051888 27 190 190 N -8.651355 -1.785231 0.926046 27 189 191 N 1.864677 4.929623 0.324939 27 192 192 N 2.876433 5.299322 0.636007 27 191 193 N 0.236160 6.931619 -2.594475 27 194 194 N 1.285393 6.832352 -2.977025 27 193 195 N 0.173271 1.664896 5.310613 27 196 196 N 0.063177 0.839043 6.060902 27 195 197 N -4.273804 -2.411488 1.596875 27 198 198 N -3.681127 -3.363232 1.600077 27 197 199 N -3.232834 8.714544 3.941761 27 200 200 N -2.504134 8.352323 3.170475 27 199 201 N -6.249090 -3.304243 8.251091 27 202 202 N -5.633363 -3.981660 7.603728 27 201 203 N -0.478228 5.620137 4.312281 27 204 204 N 0.044378 4.720113 3.895234 27 203 205 N 5.314974 6.945930 -5.567396 27 206 206 N 4.287208 7.233738 -5.910840 27 205 207 N -9.549706 5.220093 -3.378099 27 208 208 N -8.459877 5.225449 -3.641410 27 207 209 N -7.414832 1.927617 5.505220 27 210 210 N -8.125234 2.366456 6.253443 27 209 211 N 0.700538 -5.018434 6.488968 27 212 212 N 1.792149 -5.221551 6.333342 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.492380 1.813815 1.870033 27 2 2 N -4.635243 2.105222 1.208606 27 1 3 N -4.545229 1.850913 -3.437571 27 4 4 N -4.974829 1.270209 -4.295076 27 3 5 N -2.869593 -6.485936 7.364491 27 6 6 N -2.964698 -7.157315 6.471578 27 5 7 N -8.175046 -8.567287 0.512793 27 8 8 N -8.598900 -8.866464 -0.481154 27 7 9 N 1.732728 0.133989 -7.416637 27 10 10 N 1.761391 1.247611 -7.289697 27 9 11 N -3.026990 7.546597 5.978067 27 12 12 N -2.974289 7.296320 7.069705 27 11 13 N 3.259287 -7.867787 -2.479458 27 14 14 N 3.747671 -8.034195 -3.474887 27 13 15 N -4.463136 4.056274 -7.897064 27 16 16 N -4.163501 3.157532 -8.496707 27 15 17 N -4.462381 -5.165066 -6.923618 27 18 18 N -5.476872 -5.382114 -7.348810 27 17 19 N 5.148657 5.840994 8.795710 27 20 20 N 5.283190 6.949465 8.694307 27 19 21 N -3.068690 6.480115 -4.882366 27 22 22 N -2.769877 7.411627 -4.334567 27 21 23 N -1.294791 1.811224 -5.281307 27 24 24 N -0.444059 2.159983 -4.639658 27 23 25 N -0.637247 -2.708958 0.109534 27 26 26 N 0.482181 -2.685240 0.051162 27 25 27 N -0.113584 -3.759376 -5.995171 27 28 28 N -1.225416 -3.616170 -5.974912 27 27 29 N 2.048735 -0.413994 2.940449 27 30 30 N 1.655342 0.525473 3.409204 27 29 31 N 5.808356 4.273003 -1.541861 27 32 32 N 5.655097 4.568534 -2.612498 27 31 33 N 2.021704 -3.181177 4.472178 27 34 34 N 1.859919 -3.912809 3.638134 27 33 35 N 8.422769 1.947788 -2.002075 27 36 36 N 8.859775 2.515447 -1.139591 27 35 37 N -5.972443 5.071107 -1.191056 27 38 38 N -6.712461 5.516500 -0.476152 27 37 39 N -3.658684 -0.696973 -6.503266 27 40 40 N -4.148010 -0.860226 -7.498755 27 39 41 N -6.080885 8.202535 -3.731072 27 42 42 N -5.826671 8.698068 -2.757978 27 41 43 N 7.307039 -3.643218 -5.321758 27 44 44 N 6.436398 -4.254515 -5.675864 27 43 45 N 8.806175 -0.899889 7.300241 27 46 46 N 7.755481 -1.252912 7.469080 27 45 47 N 5.940401 8.101812 -1.092528 27 48 48 N 6.792262 7.947664 -0.380027 27 47 49 N 7.985357 -5.317496 -8.855795 27 50 50 N 7.677871 -4.239606 -8.882119 27 49 51 N -4.486832 -5.905891 -1.677415 27 52 52 N -3.754040 -5.072937 -1.515270 27 51 53 N 7.619401 -7.494787 -2.695282 27 54 54 N 7.955075 -8.314954 -3.382114 27 53 55 N 2.075783 2.352967 7.939754 27 56 56 N 2.176755 2.893683 6.962758 27 55 57 N -6.094700 6.942517 6.845133 27 58 58 N -6.162409 5.874154 6.511809 27 57 59 N 1.145928 -1.709547 -3.229402 27 60 60 N 1.590057 -1.168697 -4.105371 27 59 61 N -2.526958 -6.048289 3.178336 27 62 62 N -1.803893 -6.320034 2.365672 27 61 63 N 7.990047 4.959350 1.278203 27 64 64 N 6.951076 4.543088 1.344192 27 63 65 N -5.582596 -1.528627 3.662705 27 66 66 N -6.493725 -0.927409 3.406833 27 65 67 N -1.017052 -7.903734 -2.136476 27 68 68 N -0.708743 -8.242361 -1.113066 27 67 69 N -8.733576 5.678298 4.253558 27 70 70 N -8.349312 6.405558 3.491636 27 69 71 N 1.658261 -1.359885 7.729140 27 72 72 N 1.542849 -2.453051 7.508322 27 71 73 N 5.108900 -1.476910 -8.466259 27 74 74 N 4.833185 -2.538448 -8.233433 27 73 75 N -4.490093 -7.930772 1.154518 27 76 76 N -4.688053 -8.981942 0.818450 27 75 77 N 3.156303 -3.911047 -5.137058 27 78 78 N 3.239039 -5.013641 -5.322880 27 77 79 N 0.755291 8.863001 4.655175 27 80 80 N 0.375099 8.792184 5.707566 27 79 81 N -1.313669 -2.973682 4.421896 27 82 82 N -1.450159 -2.639037 5.483251 27 81 83 N 1.292853 6.310667 -6.543454 27 84 84 N 0.517387 5.910639 -7.247527 27 83 85 N 3.725364 -8.049363 7.512337 27 86 86 N 4.680280 -7.801168 8.044901 27 85 87 N -7.779237 2.447327 -9.116208 27 88 88 N -7.230908 3.420126 -9.015774 27 87 89 N -3.218036 -1.851694 -3.028935 27 90 90 N -2.254873 -1.296839 -3.175710 27 89 91 N -8.050307 -5.778108 -2.638400 27 92 92 N -7.635670 -4.856031 -2.153697 27 91 93 N -0.415329 -9.196748 9.359868 27 94 94 N -0.344599 -8.244991 8.771442 27 93 95 N -6.617317 7.135029 -7.652005 27 96 96 N -7.015489 6.456661 -6.853026 27 95 97 N 8.135960 4.097000 7.433398 27 98 98 N 7.435874 3.565426 6.737411 27 97 99 N -4.730291 0.241655 7.023062 27 100 100 N -3.802815 -0.364407 6.851111 27 99 101 N -1.415668 5.949765 -0.591942 27 102 102 N -0.451598 6.084721 -0.035663 27 101 103 N -6.158814 -7.398477 8.092922 27 104 104 N -7.261442 -7.581751 8.005104 27 103 105 N -2.003127 1.341025 -0.228379 27 106 106 N -1.602281 2.352432 0.042671 27 105 107 N 5.031049 -1.966922 2.902656 27 108 108 N 5.487710 -1.063480 2.420635 27 107 109 N 4.498836 7.332547 3.201325 27 110 110 N 5.275163 6.555947 2.974835 27 109 111 N -6.192690 -4.433798 4.783550 27 112 112 N -5.352633 -4.554675 5.516203 27 111 113 N -1.682474 0.157568 3.277708 27 114 114 N -2.728043 0.211094 3.678970 27 113 115 N -0.953796 3.665605 8.957575 27 116 116 N -0.922907 4.456705 8.163664 27 115 117 N 2.546313 6.344920 6.236466 27 118 118 N 1.974775 6.182457 7.187276 27 117 119 N 6.757774 7.273436 5.998778 27 120 120 N 6.902257 8.321477 6.370024 27 119 121 N -7.826478 -5.131947 2.137113 27 122 122 N -7.063432 -4.941089 1.338099 27 121 123 N -4.712362 6.562544 3.165103 27 124 124 N -5.171102 5.631286 2.741541 27 123 125 N -8.549302 -1.022641 -7.720530 27 126 126 N -9.580566 -1.015825 -7.280600 27 125 127 N -0.823451 -7.209076 -5.329319 27 128 128 N -1.922934 -6.991969 -5.362357 27 127 129 N 6.604084 -7.156125 -6.592218 27 130 130 N 5.740190 -7.870718 -6.603750 27 129 131 N 8.332059 -6.276612 6.237998 27 132 132 N 7.612918 -6.841358 5.589162 27 131 133 N -8.097754 -7.017865 -5.936745 27 134 134 N -7.635537 -8.036625 -5.862104 27 133 135 N 2.216792 9.042301 0.765745 27 136 136 N 2.122087 8.028693 1.235553 27 135 137 N 8.407973 4.748679 -7.241369 27 138 138 N 7.963219 5.773062 -7.340987 27 137 139 N 2.698314 -5.961713 0.104690 27 140 140 N 1.752492 -5.717822 -0.445790 27 139 141 N -6.815677 -7.858249 3.677052 27 142 142 N -6.888562 -8.968404 3.816099 27 141 143 N 7.464051 0.850038 4.286971 27 144 144 N 8.250654 1.484363 3.801197 27 143 145 N -3.621456 9.217749 -7.467025 27 146 146 N -3.498011 8.480553 -8.302724 27 145 147 N 2.908854 2.560395 -2.282561 27 148 148 N 2.385173 1.602282 -2.537249 27 147 149 N 5.425400 0.704429 -4.463765 27 150 150 N 5.834344 1.120310 -3.506218 27 149 151 N -3.670459 3.343504 4.572346 27 152 152 N -3.305015 3.399320 5.630846 27 151 153 N 2.653941 9.425255 -7.403650 27 154 154 N 3.149322 8.570219 -7.933368 27 153 155 N 6.441714 1.606288 -7.817011 27 156 156 N 6.953781 1.480357 -8.806466 27 155 157 N 9.099592 9.099044 -8.313587 27 158 158 N 8.616265 8.874452 -9.300016 27 157 159 N -8.317563 2.687757 -4.877000 27 160 160 N -8.990988 2.423989 -5.733747 27 159 161 N 2.061044 -5.521325 -8.351759 27 162 162 N 0.978803 -5.456160 -8.637411 27 161 163 N 3.005290 -7.027563 3.165903 27 164 164 N 3.661675 -7.547470 3.911521 27 163 165 N 3.636611 -2.034999 -0.979046 27 166 166 N 4.348332 -1.337274 -1.492583 27 165 167 N 4.596593 0.445838 7.002621 27 168 168 N 4.565469 -0.368857 6.232950 27 167 169 N -2.175187 -3.422425 9.153716 27 170 170 N -3.133082 -3.385126 8.572223 27 169 171 N 3.944434 3.706427 -7.013902 27 172 172 N 4.560847 3.570393 -6.087286 27 171 173 N 4.504168 2.612464 3.847958 27 174 174 N 4.938375 3.581178 4.208715 27 173 175 N -6.542141 -2.048110 -3.488130 27 176 176 N -6.850186 -1.245243 -2.768685 27 175 177 N 5.890577 1.160360 0.032096 27 178 178 N 4.918968 1.430311 0.522190 27 177 179 N 5.894182 -5.237078 2.178115 27 180 180 N 5.837618 -5.326149 1.061891 27 179 181 N 5.143816 -5.239030 -2.261813 27 182 182 N 5.986843 -4.501743 -2.208846 27 181 183 N 8.662327 -2.589574 3.289372 27 184 184 N 8.032128 -3.009655 4.116095 27 183 185 N 7.815795 -9.531402 3.397995 27 186 186 N 7.440372 -8.679350 2.773371 27 185 187 N 5.646525 -4.349203 6.599349 27 188 188 N 4.802638 -4.444089 5.867270 27 187 189 N 7.894705 -1.976983 -0.499162 27 190 190 N 8.257909 -2.930970 -0.962930 27 189 191 N 2.802003 4.566322 0.636171 27 192 192 N 2.564882 3.629117 1.204071 27 191 193 N 2.244825 6.092916 -2.807286 27 194 194 N 1.128768 6.158354 -2.722290 27 193 195 N -0.744399 0.874069 7.648073 27 196 196 N -1.011685 0.909659 6.559781 27 195 197 N -3.786578 -3.113566 1.136114 27 198 198 N -4.385117 -2.180779 0.966552 27 197 199 N -2.094481 8.774261 2.679906 27 200 200 N -1.917373 7.683780 2.871146 27 199 201 N -7.151943 -3.389093 8.563990 27 202 202 N -7.548797 -3.881790 7.638329 27 201 203 N -0.150758 4.340058 4.266808 27 204 204 N 0.274465 4.875467 3.378207 27 203 205 N 5.860973 7.410474 -4.478861 27 206 206 N 5.537397 7.098307 -5.505964 27 205 207 N 9.270666 6.737371 -2.852734 27 208 208 N 8.721578 5.772850 -2.693699 27 207 209 N -6.577300 2.597322 5.633693 27 210 210 N -7.529238 2.016090 5.519351 27 209 211 N 0.226039 -5.460045 6.355627 27 212 212 N 1.168216 -6.020022 6.591887 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.990831 4.182730 2.197623 27 2 2 N -6.654773 3.352595 1.523066 27 1 3 N -4.995793 0.800782 -2.484055 27 4 4 N -4.074710 1.099630 -1.918913 27 3 5 N -3.445902 -6.786984 5.796992 27 6 6 N -3.552565 -7.245965 6.814365 27 5 7 N -7.414529 8.042242 0.920067 27 8 8 N -7.587568 6.946076 0.760171 27 7 9 N 2.448496 0.166228 -6.809548 27 10 10 N 2.298543 -0.789295 -6.242469 27 9 11 N -1.996928 7.015798 6.477016 27 12 12 N -1.904161 7.862790 5.748259 27 11 13 N 2.895218 -8.144616 -2.299769 27 14 14 N 2.381658 -8.401285 -3.262820 27 13 15 N -4.100386 3.463932 -8.087479 27 16 16 N -3.634064 4.445456 -8.363602 27 15 17 N -3.915994 -6.280619 -6.625802 27 18 18 N -4.576193 -6.891111 -5.956082 27 17 19 N 5.462487 5.331403 -8.824019 27 20 20 N 5.012364 6.291043 -8.458549 27 19 21 N -2.516443 7.871747 -4.538830 27 22 22 N -2.689880 8.381634 -3.555456 27 21 23 N -0.844569 0.914138 -5.520685 27 24 24 N -1.594363 1.745973 -5.575001 27 23 25 N -1.871826 -1.374265 0.712602 27 26 26 N -0.917226 -1.865613 1.035719 27 25 27 N -1.185165 -3.392802 -5.742602 27 28 28 N -0.220099 -3.551988 -6.290687 27 27 29 N 0.394393 0.676032 3.511170 27 30 30 N 1.130495 -0.085041 3.879966 27 29 31 N 7.064608 3.363575 -3.943670 27 32 32 N 7.221968 3.456228 -5.049899 27 31 33 N 2.264765 -3.261835 2.660301 27 34 34 N 2.343053 -2.963632 1.582324 27 33 35 N -8.605459 0.951270 -1.114815 27 36 36 N -8.716482 2.059551 -1.243176 27 35 37 N -5.265770 4.550629 -1.599366 27 38 38 N -5.577892 5.625428 -1.532451 27 37 39 N -3.345669 -0.710644 -6.723944 27 40 40 N -3.968475 -0.580517 -7.647128 27 39 41 N -7.140808 9.060751 -4.110823 27 42 42 N -6.058828 8.823123 -4.283856 27 41 43 N 7.720739 -3.736130 -4.927025 27 44 44 N 6.817936 -3.852308 -4.272396 27 43 45 N 9.075593 -0.094347 7.975053 27 46 46 N 8.747536 -0.951298 8.619337 27 45 47 N 5.312697 7.765618 -1.513710 27 48 48 N 5.600169 6.700968 -1.311303 27 47 49 N 7.957193 -5.179328 8.139904 27 50 50 N 8.197625 -4.838283 9.180562 27 49 51 N -2.448398 -5.962375 -2.914851 27 52 52 N -1.743910 -6.537365 -3.570726 27 51 53 N 7.619389 -8.319154 -2.149817 27 54 54 N 8.511371 -7.828194 -2.619302 27 53 55 N 3.427997 1.382825 8.164411 27 56 56 N 2.415944 1.834285 8.334766 27 55 57 N -5.825837 6.247956 7.711018 27 58 58 N -6.528040 6.663803 8.479829 27 57 59 N -0.894373 -2.156776 -2.655615 27 60 60 N -1.282740 -1.110163 -2.759845 27 59 61 N -1.889348 -5.951378 1.672196 27 62 62 N -1.071716 -5.214506 1.458683 27 61 63 N 7.549119 5.625726 1.262811 27 64 64 N 7.948042 4.670643 0.831804 27 63 65 N -7.409846 -0.931147 2.954620 27 66 66 N -7.463028 -0.303888 3.882418 27 65 67 N -0.765162 -8.589935 -0.548795 27 68 68 N -0.451942 -9.391144 -1.267856 27 67 69 N -8.885424 6.490227 4.344149 27 70 70 N -8.487523 7.538220 4.365941 27 69 71 N 1.273511 -1.503362 6.680874 27 72 72 N 1.935830 -2.200805 6.104680 27 71 73 N 5.477246 -2.857468 -7.385122 27 74 74 N 5.331226 -2.087384 -8.186832 27 73 75 N -4.359439 -8.743075 -0.712223 27 76 76 N -5.164546 -8.521239 0.035894 27 75 77 N 3.381711 -5.283231 -4.365019 27 78 78 N 2.658435 -4.632865 -4.922679 27 77 79 N 1.500954 8.617568 5.065091 27 80 80 N 1.481535 9.360367 4.225472 27 79 81 N -2.474506 -3.008821 3.819080 27 82 82 N -1.850908 -2.318717 4.445159 27 81 83 N -0.348832 6.501604 -7.306302 27 84 84 N 0.524159 6.388651 -6.611884 27 83 85 N 3.805127 -8.278071 7.040806 27 86 86 N 4.556378 -7.463539 7.211827 27 85 87 N -7.456871 2.106860 -8.876378 27 88 88 N -7.176715 3.190546 -8.941392 27 87 89 N -4.191197 -3.383383 -4.382977 27 90 90 N -4.539243 -2.457636 -3.854822 27 89 91 N -6.298902 -5.547752 -2.472271 27 92 92 N -5.623886 -6.441907 -2.428363 27 91 93 N -0.149934 -8.361684 9.030239 27 94 94 N 0.176922 -8.102865 7.989437 27 93 95 N -5.689250 6.429533 -6.554415 27 96 96 N -6.002797 5.698127 -5.764590 27 95 97 N 5.691873 3.673421 6.431272 27 98 98 N 6.725449 3.449852 6.803870 27 97 99 N -4.996813 0.924936 6.884685 27 100 100 N -5.036032 -0.122081 7.283817 27 99 101 N -1.502183 5.688475 -1.443100 27 102 102 N -0.832037 5.314276 -0.625806 27 101 103 N -6.589693 -7.525735 8.595626 27 104 104 N -6.960806 -8.357800 7.942147 27 103 105 N -1.221487 1.727598 -0.652154 27 106 106 N -0.645124 1.900542 0.293882 27 105 107 N 4.702344 -0.654344 2.027819 27 108 108 N 5.016280 -0.685667 3.103715 27 107 109 N 4.645390 6.499421 3.555633 27 110 110 N 4.021633 6.389172 2.630506 27 109 111 N -5.838672 -3.134371 5.564046 27 112 112 N -5.721942 -4.109894 6.104246 27 111 113 N -3.170363 1.166147 2.999253 27 114 114 N -3.893037 0.537589 3.582133 27 113 115 N -0.371095 3.566259 -8.691901 27 116 116 N -0.889197 2.940222 -9.464389 27 115 117 N 1.424753 5.760206 7.796114 27 118 118 N 1.438144 6.759733 8.303908 27 117 119 N 6.053034 7.344118 6.672403 27 120 120 N 6.652305 7.264127 5.728175 27 119 121 N -6.051485 -4.958354 1.617522 27 122 122 N -6.480915 -4.445795 2.517501 27 121 123 N -5.006626 6.625685 3.386342 27 124 124 N -4.576472 5.998084 4.209856 27 123 125 N -8.553055 -0.680418 -6.282119 27 126 126 N -9.488638 -0.373221 -5.746019 27 125 127 N 0.055832 -7.106640 -6.161071 27 128 128 N -0.283777 -8.101058 -5.770063 27 127 129 N 6.017161 -7.244557 -5.491308 27 130 130 N 6.164752 -6.449477 -6.267937 27 129 131 N 7.870821 -7.771838 5.740083 27 132 132 N 7.529908 -7.232794 4.817967 27 131 133 N -8.309313 -6.335249 -7.062917 27 134 134 N -8.669658 -6.530570 -6.019323 27 133 135 N 1.637335 8.050239 1.069729 27 136 136 N 2.438883 8.231572 0.307017 27 135 137 N 8.751187 5.643300 -7.146780 27 138 138 N 8.549129 4.758955 -7.805717 27 137 139 N 2.091453 -5.611655 -0.394831 27 140 140 N 2.125737 -6.239453 0.533493 27 139 141 N -6.809958 -7.719485 3.964889 27 142 142 N -5.766211 -8.065465 4.183930 27 141 143 N 7.795007 1.197680 2.519474 27 144 144 N 8.714554 1.622429 2.038735 27 143 145 N -2.901599 8.232736 -9.067337 27 146 146 N -2.789293 8.497346 -7.983613 27 145 147 N 3.340252 2.150481 -2.889958 27 148 148 N 2.262918 2.441855 -2.782526 27 147 149 N 5.842614 0.179968 -4.101523 27 150 150 N 5.130514 -0.436545 -4.709730 27 149 151 N -3.468391 3.431077 5.667631 27 152 152 N -3.371923 4.035594 6.606960 27 151 153 N 2.726981 -9.322492 -6.810523 27 154 154 N 3.419178 -8.440506 -6.803187 27 153 155 N 6.322737 1.041262 -7.441757 27 156 156 N 6.820611 1.573213 -8.293954 27 155 157 N 8.070109 9.616562 -8.834867 27 158 158 N 8.395304 8.577153 -9.101261 27 157 159 N -7.696844 2.769451 -4.635562 27 160 160 N -6.665906 2.397098 -4.871382 27 159 161 N 2.717179 -4.619851 9.151535 27 162 162 N 1.645892 -4.731090 8.839994 27 161 163 N 4.663045 -7.551613 3.169582 27 164 164 N 4.085558 -6.653945 3.512790 27 163 165 N 2.551990 -0.678040 -0.811253 27 166 166 N 1.891944 0.079939 -0.314368 27 165 167 N 6.368588 -0.735832 6.109419 27 168 168 N 6.740800 0.138533 5.514413 27 167 169 N -2.052968 -3.524374 8.294586 27 170 170 N -2.196699 -2.818386 9.153661 27 169 171 N 2.442218 3.801809 -5.886700 27 172 172 N 3.161889 4.055436 -6.708183 27 171 173 N 3.933700 2.576023 3.533728 27 174 174 N 4.924740 2.935614 3.152126 27 173 175 N -7.992780 -1.599957 -2.755850 27 176 176 N -7.708949 -2.086457 -1.786392 27 175 177 N 6.438712 2.347665 -0.569358 27 178 178 N 5.320206 2.425054 -0.576121 27 177 179 N 5.901636 -4.331332 2.124153 27 180 180 N 6.708271 -3.568309 2.279795 27 179 181 N 5.314625 -5.959327 -1.438286 27 182 182 N 5.365925 -4.999837 -0.860499 27 181 183 N 9.270366 -3.637032 5.376743 27 184 184 N 8.889170 -2.583398 5.336327 27 183 185 N 7.009866 -9.375094 1.857218 27 186 186 N 7.553546 -8.435119 1.578025 27 185 187 N 5.080652 -4.386542 6.639538 27 188 188 N 5.129791 -3.867866 5.646739 27 187 189 N 7.291522 -1.309125 -0.921804 27 190 190 N 7.372774 -0.908697 0.122296 27 189 191 N 1.969371 4.117133 1.014348 27 192 192 N 2.310805 4.353520 -0.027109 27 191 193 N 1.945730 6.395835 -2.999746 27 194 194 N 1.187538 5.850780 -3.620350 27 193 195 N -1.448374 0.290900 6.482263 27 196 196 N -1.776330 0.062195 7.529749 27 195 197 N -5.039385 -1.475359 0.947225 27 198 198 N -4.996069 -2.055903 -0.010994 27 197 199 N -1.925528 8.551353 2.535260 27 200 200 N -1.871725 7.698003 1.810011 27 199 201 N -6.518136 -3.257707 -8.602982 27 202 202 N -5.849523 -3.793059 -7.879487 27 201 203 N 0.126119 4.667136 4.328506 27 204 204 N 0.178033 3.721320 4.928361 27 203 205 N 4.624081 6.141582 -4.927785 27 206 206 N 4.925632 7.186745 -4.656141 27 205 207 N 8.360564 6.306003 -4.104169 27 208 208 N 9.237315 6.208041 -3.412215 27 207 209 N -7.243010 3.975031 5.685431 27 210 210 N -7.279437 2.855026 5.722171 27 209 211 N -0.097822 -5.635335 5.066075 27 212 212 N 0.839640 -5.928176 5.606906 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.274333 3.394765 1.306436 27 2 2 N -6.348167 3.085569 1.214964 27 1 3 N -5.839359 2.004039 -1.998703 27 4 4 N -4.940184 1.881567 -2.657167 27 3 5 N -1.619509 -7.184870 5.197620 27 6 6 N -1.741859 -8.184074 5.691291 27 5 7 N -7.416831 8.924922 0.848550 27 8 8 N -7.275099 8.608841 1.914897 27 7 9 N 2.398581 -1.054557 -8.802204 27 10 10 N 2.776849 -1.079977 -7.747047 27 9 11 N -2.490228 6.726719 6.984529 27 12 12 N -1.402898 6.625632 6.730396 27 11 13 N 3.980037 -8.827803 -2.881894 27 14 14 N 3.729755 -8.211422 -3.784403 27 13 15 N -2.933368 3.531451 -7.643099 27 16 16 N -3.552082 4.461665 -7.548317 27 15 17 N -3.605820 -5.897946 -5.924891 27 18 18 N -4.634785 -5.966655 -5.484890 27 17 19 N 5.228185 4.715899 8.606416 27 20 20 N 4.847757 5.540404 9.264104 27 19 21 N -2.458469 7.600725 -4.720694 27 22 22 N -2.880019 8.557003 -4.314595 27 21 23 N -0.971856 3.431200 -3.743305 27 24 24 N -1.720265 4.244656 -3.555520 27 23 25 N -1.831566 -2.313643 0.471213 27 26 26 N -0.910237 -2.129673 -0.140666 27 25 27 N -1.728631 -3.557562 -5.772904 27 28 28 N -1.765934 -3.279803 -6.858513 27 27 29 N 0.667295 0.661616 1.854325 27 30 30 N 0.680643 -0.318555 2.398545 27 29 31 N 6.524156 3.823408 -3.149695 27 32 32 N 6.294497 3.309124 -4.119158 27 31 33 N 1.602186 -4.010768 1.903361 27 34 34 N 1.767473 -3.274456 2.732586 27 33 35 N -9.036878 2.294439 -0.781020 27 36 36 N -9.054651 1.230889 -0.426569 27 35 37 N -5.483318 4.976884 -4.214111 27 38 38 N -4.681669 5.427611 -3.572790 27 37 39 N -2.241305 -0.352113 -8.270792 27 40 40 N -3.306063 -0.460844 -8.604795 27 39 41 N -6.150073 -8.849782 -4.838397 27 42 42 N -6.389941 -9.257166 -3.821740 27 41 43 N 7.724814 -4.314354 -3.115293 27 44 44 N 6.950202 -4.605338 -3.871861 27 43 45 N 8.812416 0.165261 9.045304 27 46 46 N 8.259278 -0.089433 8.103890 27 45 47 N 5.556081 7.273730 -0.692760 27 48 48 N 5.155809 6.440932 -1.327832 27 47 49 N 7.387740 -5.860532 -8.423730 27 50 50 N 7.945657 -5.138964 -9.075770 27 49 51 N -3.268684 -4.687739 -2.645855 27 52 52 N -2.889748 -4.744159 -1.592140 27 51 53 N 9.002078 -7.945958 -2.124556 27 54 54 N 8.690469 -8.999350 -2.348955 27 53 55 N 4.134665 2.272869 7.292971 27 56 56 N 4.004793 1.159292 7.280037 27 55 57 N -6.752332 6.481690 7.664574 27 58 58 N -6.540893 5.411221 7.922409 27 57 59 N -2.554397 -0.548096 -3.709504 27 60 60 N -2.727711 -0.978662 -2.688884 27 59 61 N -0.987335 -5.923243 1.347038 27 62 62 N -2.064085 -6.021760 1.643675 27 61 63 N 8.220842 5.071567 0.741751 27 64 64 N 9.108155 5.755602 0.784913 27 63 65 N -7.206467 -0.071142 3.708336 27 66 66 N -7.244169 -0.987405 3.063255 27 65 67 N -0.266949 9.069273 -1.717332 27 68 68 N 0.305482 8.938552 -2.672489 27 67 69 N 9.328927 7.888983 5.461283 27 70 70 N 8.910403 7.114029 4.767472 27 69 71 N 2.030731 -1.701800 6.394507 27 72 72 N 3.121935 -1.753775 6.142192 27 71 73 N 6.260121 -2.225118 -8.329739 27 74 74 N 6.000316 -2.903051 -7.475339 27 73 75 N -4.104763 -8.212739 0.340866 27 76 76 N -3.735455 -8.274462 -0.715964 27 75 77 N 2.004472 -4.343678 -3.814077 27 78 78 N 2.978511 -4.682068 -3.373815 27 77 79 N 1.970255 8.438564 4.839794 27 80 80 N 1.124213 9.093616 5.174771 27 79 81 N -2.325177 -3.200389 4.335257 27 82 82 N -1.498947 -3.035752 3.595441 27 81 83 N -0.561630 6.530221 -7.608106 27 84 84 N 0.488140 6.923531 -7.627553 27 83 85 N 5.161178 -7.782427 7.783012 27 86 86 N 4.052648 -7.619593 7.824671 27 85 87 N -6.586902 2.908444 -7.678056 27 88 88 N -6.110216 2.520094 -8.615629 27 87 89 N -5.690773 -2.849977 -5.098483 27 90 90 N -5.751804 -2.460501 -4.048876 27 89 91 N -7.324592 -5.136911 -1.141362 27 92 92 N -8.121744 -5.151474 -0.353058 27 91 93 N 0.014525 -7.312033 9.115317 27 94 94 N 0.603575 -7.776743 8.282158 27 93 95 N -6.204571 7.354965 -7.533586 27 96 96 N -6.222862 6.794302 -6.562806 27 95 97 N 7.124387 4.067048 6.175747 27 98 98 N 7.353609 3.088335 6.672404 27 97 99 N -5.543829 -0.313760 7.163204 27 100 100 N -6.236703 -0.892390 7.828187 27 99 101 N -3.846613 6.112788 -0.530216 27 102 102 N -2.828047 6.494255 -0.802422 27 101 103 N -6.549670 -7.403056 8.157736 27 104 104 N -7.621384 -7.083216 8.078855 27 103 105 N -0.829377 1.834495 -0.637138 27 106 106 N -1.740317 1.790128 0.015021 27 105 107 N 4.304297 -0.991739 2.492845 27 108 108 N 4.633968 -2.062227 2.443226 27 107 109 N 3.962405 5.453481 3.730204 27 110 110 N 3.402236 6.162339 3.066263 27 109 111 N -4.546289 -4.621536 6.710063 27 112 112 N -5.261937 -3.866626 6.291675 27 111 113 N -3.689518 1.371939 3.570995 27 114 114 N -2.766409 0.765314 3.378729 27 113 115 N 0.880805 2.288334 8.910436 27 116 116 N -0.119273 2.538717 8.469708 27 115 117 N 1.882388 5.210247 6.832521 27 118 118 N 1.842886 5.604953 7.881203 27 117 119 N 5.593772 7.786001 5.490468 27 120 120 N 5.090789 7.103279 6.223946 27 119 121 N -5.849682 -4.106500 2.444733 27 122 122 N -4.908998 -4.008364 1.842593 27 121 123 N -4.697886 6.747513 4.061260 27 124 124 N -5.461470 6.371873 3.331243 27 123 125 N -8.578643 -1.534846 -6.032221 27 126 126 N -9.686886 -1.460157 -6.184896 27 125 127 N -0.126361 -7.608221 -5.757866 27 128 128 N 0.252879 -6.820469 -5.055931 27 127 129 N 6.038846 -7.541890 -6.161832 27 130 130 N 7.103671 -7.762007 -5.888364 27 129 131 N 7.674120 -7.480123 5.309237 27 132 132 N 7.520186 -6.382969 5.481421 27 131 133 N -8.071158 -6.096543 -5.958116 27 134 134 N -8.113947 -5.852542 -4.864626 27 133 135 N 1.493179 8.613076 1.018660 27 136 136 N 2.590720 8.663461 0.795152 27 135 137 N 8.144715 3.105460 -8.018822 27 138 138 N 8.657013 4.090454 -8.175119 27 137 139 N 1.523920 -6.561174 -0.866298 27 140 140 N 0.944241 -5.605596 -0.955374 27 139 141 N -6.440429 -6.760554 4.765548 27 142 142 N -6.869542 -7.013644 3.761109 27 141 143 N 8.447613 2.058166 2.602057 27 144 144 N 7.622674 2.712092 2.987992 27 143 145 N -3.250294 -9.215463 -8.165002 27 146 146 N -3.900930 -8.317094 -8.001620 27 145 147 N 2.179386 3.436818 -2.550073 27 148 148 N 2.768524 2.642133 -3.077786 27 147 149 N 5.355488 -0.975359 -3.897190 27 150 150 N 4.737335 -1.877185 -4.145555 27 149 151 N -3.433496 3.474753 6.855854 27 152 152 N -3.715248 2.513021 7.358620 27 151 153 N 3.257952 8.600504 -7.573323 27 154 154 N 3.787873 8.239808 -6.653447 27 153 155 N 4.944433 1.683950 -7.599279 27 156 156 N 5.509213 0.736503 -7.800423 27 155 157 N 8.689908 7.734295 9.509802 27 158 158 N 8.583157 7.333387 8.468185 27 157 159 N -8.706908 2.956238 -5.101795 27 160 160 N -7.873867 2.440431 -4.556747 27 159 161 N 2.663879 -4.535019 -8.411553 27 162 162 N 2.308965 -4.928749 -7.423574 27 161 163 N 4.840011 -7.278022 3.347641 27 164 164 N 3.730862 -7.177745 3.217939 27 163 165 N 3.145570 -1.794374 -1.082196 27 166 166 N 2.500065 -1.109993 -0.472248 27 165 167 N 6.389606 -0.154280 4.834460 27 168 168 N 7.339758 -0.748845 4.806345 27 167 169 N -0.052347 -3.739350 8.453527 27 170 170 N -0.877166 -3.165357 7.956239 27 169 171 N 2.153589 4.046462 -7.184737 27 172 172 N 2.665273 3.667390 -6.261930 27 171 173 N 3.618573 2.289789 3.736827 27 174 174 N 3.701748 2.239967 2.619828 27 173 175 N -8.472572 -1.200426 -2.627581 27 176 176 N -8.110346 -1.608407 -1.648074 27 175 177 N 4.796298 1.563263 -0.701363 27 178 178 N 5.660077 1.718906 -0.003687 27 177 179 N 7.751557 -3.537015 2.422390 27 180 180 N 7.002032 -4.328490 2.684820 27 179 181 N 4.706430 -5.541846 -0.613856 27 182 182 N 5.451625 -6.298914 -0.972498 27 181 183 N -9.334472 -3.548293 6.589318 27 184 184 N -8.551585 -4.117644 6.023617 27 183 185 N 7.923565 -7.125597 1.357603 27 186 186 N 8.365282 -7.796974 2.139414 27 185 187 N 5.685622 -3.649570 5.898044 27 188 188 N 5.801780 -3.844363 6.996065 27 187 189 N 6.469295 -1.414120 -0.815663 27 190 190 N 6.396594 -2.518786 -0.638135 27 189 191 N 1.323888 4.382875 0.732988 27 192 192 N 0.603732 5.197829 0.460379 27 191 193 N 2.590041 6.416177 -4.221532 27 194 194 N 1.581600 6.638766 -4.658097 27 193 195 N -0.789933 0.236469 6.344739 27 196 196 N -1.795120 0.079335 6.815903 27 195 197 N -5.434996 -0.368614 0.243089 27 198 198 N -5.200245 -1.463730 0.191084 27 197 199 N -1.406538 9.006147 2.003974 27 200 200 N -2.028813 8.107003 2.251768 27 199 201 N -7.717352 -3.357928 -8.747742 27 202 202 N -6.743332 -3.853586 -8.998137 27 201 203 N -0.284944 4.356394 3.910301 27 204 204 N -0.983397 4.108386 4.751578 27 203 205 N 6.027922 7.252358 -4.837499 27 206 206 N 6.118219 6.495247 -5.659520 27 205 207 N -9.208682 5.792447 -3.407190 27 208 208 N -8.204941 6.131196 -3.039981 27 207 209 N -7.113225 2.483248 6.110801 27 210 210 N -7.869517 1.693243 6.357787 27 209 211 N 1.352939 -5.398986 5.832633 27 212 212 N 2.407114 -5.240390 6.179983 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.134098 3.244730 0.260292 27 2 2 N -5.679212 2.265619 0.296066 27 1 3 N -5.981551 2.415392 -3.708405 27 4 4 N -5.575612 1.583695 -4.341321 27 3 5 N -2.554051 -7.855720 5.877818 27 6 6 N -1.806065 -7.731510 5.051877 27 5 7 N -7.933525 8.654239 0.068062 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27 212 212 N 0.787394 -4.155175 6.945562 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.177220 2.542370 0.650837 27 2 2 N -7.069258 2.037876 0.196040 27 1 3 N -4.501704 1.368245 -2.139706 27 4 4 N -3.901463 1.310858 -3.084962 27 3 5 N -2.283712 -7.046410 4.335348 27 6 6 N -2.607177 -7.874386 5.018661 27 5 7 N -8.154368 8.121104 -1.831851 27 8 8 N -8.487088 9.189562 -1.901019 27 7 9 N 1.681552 0.980943 -7.535682 27 10 10 N 1.297753 1.858821 -6.953343 27 9 11 N -2.840871 3.775900 7.062153 27 12 12 N -2.842894 4.657340 6.369227 27 11 13 N 3.740406 -6.945364 -4.026347 27 14 14 N 3.990744 -6.866865 -5.116420 27 13 15 N -4.028233 4.906443 -7.952835 27 16 16 N -4.674242 4.037482 -7.661860 27 15 17 N -5.445573 -6.278820 -7.662282 27 18 18 N -4.778495 -7.142745 -7.405902 27 17 19 N 2.065859 5.757817 -7.715771 27 20 20 N 2.758984 4.902523 -7.928230 27 19 21 N -3.477289 7.623102 -2.860403 27 22 22 N -2.724475 8.113460 -2.189650 27 21 23 N 0.653938 6.894389 -4.299296 27 24 24 N -0.128983 6.983799 -5.096875 27 23 25 N -1.125293 -1.608915 -0.739502 27 26 26 N -2.015183 -0.960463 -0.950915 27 25 27 N 0.996059 -5.438387 -5.713193 27 28 28 N 1.402100 -4.408645 -5.534725 27 27 29 N 0.044100 0.773332 1.806775 27 30 30 N 0.159875 1.340763 0.846719 27 29 31 N 4.399874 4.905949 -2.112019 27 32 32 N 4.476292 5.368780 -3.130370 27 31 33 N 0.960101 -5.518334 3.799606 27 34 34 N 0.547376 -6.271072 3.078404 27 33 35 N 7.939715 0.719167 -0.938308 27 36 36 N 8.878553 0.165481 -1.201187 27 35 37 N -5.699554 4.309464 -4.513448 27 38 38 N -5.030577 4.846446 -3.791498 27 37 39 N -3.106289 -0.084299 -7.085688 27 40 40 N -2.905517 0.952658 -7.461854 27 39 41 N -5.583792 8.880385 -4.745045 27 42 42 N -6.671259 8.614702 -4.807644 27 41 43 N 9.169512 -3.759282 -2.421123 27 44 44 N 8.371273 -3.151249 -1.920923 27 43 45 N -8.096490 -2.395829 7.335664 27 46 46 N -8.674358 -1.470111 7.078360 27 45 47 N 5.890988 8.674436 -3.837464 27 48 48 N 6.449467 8.232547 -2.971483 27 47 49 N -9.362613 -5.862595 8.739574 27 50 50 N -8.814724 -4.972237 9.144749 27 49 51 N -2.941143 -3.799684 -2.457646 27 52 52 N -3.073735 -4.846401 -2.078314 27 51 53 N 7.155272 -6.797714 -2.796310 27 54 54 N 7.389543 -6.673802 -1.706882 27 53 55 N 4.956203 0.097760 8.793114 27 56 56 N 4.592641 1.035128 9.289353 27 55 57 N -7.488493 4.297563 8.262371 27 58 58 N -7.389383 5.400698 8.436604 27 57 59 N -0.053825 -1.569786 -3.851414 27 60 60 N -0.638672 -1.306310 -4.770992 27 59 61 N -1.254573 -7.767479 0.210625 27 62 62 N -1.943362 -6.887619 0.302854 27 61 63 N -8.467248 4.253984 3.266904 27 64 64 N -8.064562 5.280115 3.471815 27 63 65 N -7.272518 -0.314639 3.466072 27 66 66 N -7.723651 -0.333016 2.439802 27 65 67 N 0.679667 -7.427932 -3.047560 27 68 68 N 0.510086 -8.531632 -2.946660 27 67 69 N -4.576338 7.931319 5.806911 27 70 70 N -3.943132 7.383125 5.061509 27 69 71 N 2.056306 -0.470923 7.543597 27 72 72 N 1.055721 -0.596098 8.033752 27 71 73 N 3.138019 -2.188197 -6.720549 27 74 74 N 3.164601 -1.606285 -5.762550 27 73 75 N -5.395780 -8.627982 -0.092973 27 76 76 N -5.361383 -7.845272 -0.895014 27 75 77 N 4.773134 -3.093346 -3.142607 27 78 78 N 5.145468 -2.086866 -2.817873 27 77 79 N 2.615382 -8.474201 7.534537 27 80 80 N 2.366837 -9.356466 8.180231 27 79 81 N -0.903085 -2.796399 2.238580 27 82 82 N -1.909502 -2.349550 2.449629 27 81 83 N -0.649293 7.150514 7.773096 27 84 84 N 0.002138 6.238535 7.805034 27 83 85 N 5.146787 8.747383 -8.694592 27 86 86 N 6.106120 9.311372 -8.557903 27 85 87 N -5.763774 1.184187 8.823038 27 88 88 N -6.865421 0.980838 8.777081 27 87 89 N -3.943926 -3.730105 -5.935359 27 90 90 N -4.263827 -2.954040 -5.192072 27 89 91 N -7.239645 -5.683041 0.411218 27 92 92 N -7.909777 -4.816776 0.651213 27 91 93 N -2.152535 -5.692342 8.954064 27 94 94 N -2.304575 -5.968537 7.878104 27 93 95 N -8.135291 5.889658 -6.716955 27 96 96 N -8.809019 5.147227 -6.214982 27 95 97 N 6.501433 4.724928 8.503164 27 98 98 N 6.188283 5.389328 7.656053 27 97 99 N -3.914107 -1.948947 4.708004 27 100 100 N -4.814897 -1.645748 5.302762 27 99 101 N -5.798412 6.555806 -0.517084 27 102 102 N -6.478957 6.061710 0.224412 27 101 103 N -5.164754 7.974728 -9.225209 27 104 104 N -6.171027 8.376836 -8.937434 27 103 105 N -1.798421 4.290611 -1.623958 27 106 106 N -2.770622 3.820559 -1.322353 27 105 107 N 1.994696 -1.720424 3.490242 27 108 108 N 2.851839 -2.357977 3.149769 27 107 109 N 8.051461 7.019773 0.439725 27 110 110 N 8.379360 5.994824 0.125002 27 109 111 N -6.881445 -8.022930 6.313496 27 112 112 N -6.050889 -7.405010 5.882869 27 111 113 N -3.794629 0.544262 2.270923 27 114 114 N -2.951870 0.812585 1.581829 27 113 115 N -0.072815 2.631373 8.132659 27 116 116 N -0.529892 1.892967 8.841832 27 115 117 N 2.899973 5.654443 6.627929 27 118 118 N 2.572339 5.384501 5.590203 27 117 119 N 4.107285 8.256362 4.746565 27 120 120 N 4.592721 9.169897 5.178881 27 119 121 N -4.469099 -5.196427 2.829199 27 122 122 N -4.614129 -6.226527 2.410930 27 121 123 N -4.553716 4.477047 3.302580 27 124 124 N -3.464631 4.382777 3.053385 27 123 125 N -8.319192 -2.588315 -6.039276 27 126 126 N -7.520971 -3.166162 -5.504462 27 125 127 N -2.102930 -6.393792 -5.485067 27 128 128 N -2.631076 -6.969326 -4.680759 27 127 129 N 6.291030 -4.182132 -6.203098 27 130 130 N 6.213868 -5.282529 -6.403751 27 129 131 N 7.406482 -6.291084 5.948534 27 132 132 N 8.139735 -6.702833 5.206987 27 131 133 N -5.735633 -5.527670 -3.710912 27 134 134 N -6.493160 -6.285275 -4.041479 27 133 135 N 2.816857 -9.036887 0.378240 27 136 136 N 2.475605 -8.052088 -0.035049 27 135 137 N 8.396950 1.949764 -8.608080 27 138 138 N 8.169485 1.039274 -7.994601 27 137 139 N 1.662468 -4.229215 -2.065300 27 140 140 N 0.630175 -4.455435 -1.690753 27 139 141 N -6.661887 8.229516 2.584215 27 142 142 N -6.913385 9.162985 3.152083 27 141 143 N 6.846367 2.506244 2.135903 27 144 144 N 7.271196 2.046197 3.065939 27 143 145 N -2.917718 7.768239 -6.725237 27 146 146 N -2.399624 8.403628 -7.490058 27 145 147 N 1.744606 3.471530 -3.472204 27 148 148 N 1.412750 3.754615 -2.439332 27 147 149 N 8.065769 0.425321 -4.873635 27 150 150 N 7.553172 -0.571791 -4.863511 27 149 151 N -5.979478 1.826826 5.485259 27 152 152 N -5.035171 1.593123 4.927806 27 151 153 N 1.454445 -9.089592 -6.895522 27 154 154 N 0.416869 -8.665772 -6.925547 27 153 155 N 5.445256 1.747939 -5.826846 27 156 156 N 4.821298 2.028842 -4.938667 27 155 157 N 8.242445 8.732983 6.823959 27 158 158 N 8.573289 7.774919 7.303275 27 157 159 N -6.912678 0.558513 -6.028919 27 160 160 N -5.924476 0.182723 -5.655651 27 159 161 N 2.349899 -5.783792 -8.797012 27 162 162 N 2.661217 -4.713558 -8.918534 27 161 163 N 4.209077 -5.630204 4.562042 27 164 164 N 3.944554 -5.069767 5.496402 27 163 165 N 2.366914 0.154173 -2.073957 27 166 166 N 2.303975 -0.844288 -1.567793 27 165 167 N 7.053105 -1.017058 5.006430 27 168 168 N 6.039875 -0.802779 5.436007 27 167 169 N -0.881031 -2.734854 -8.368039 27 170 170 N -0.381863 -3.343216 -7.569406 27 169 171 N -1.753355 3.642227 -4.936169 27 172 172 N -1.257234 2.671267 -4.675040 27 171 173 N 3.959839 1.600822 4.914253 27 174 174 N 3.441006 1.873965 3.958589 27 173 175 N -6.734789 -1.766587 -1.740259 27 176 176 N -6.631595 -1.017749 -2.568319 27 175 177 N 3.432094 2.149865 0.587631 27 178 178 N 4.096055 1.283483 0.843809 27 177 179 N 6.891275 -4.584723 2.654493 27 180 180 N 7.571191 -3.705367 2.801245 27 179 181 N 4.019416 -4.841983 0.343277 27 182 182 N 4.878640 -5.235936 -0.259738 27 181 183 N -7.248742 -3.639175 4.021820 27 184 184 N -7.502357 -4.730884 4.052497 27 183 185 N 8.658209 -7.536419 1.587812 27 186 186 N 7.598667 -7.730377 1.899002 27 185 187 N 6.643235 -3.101602 8.785284 27 188 188 N 5.603309 -2.970188 8.387322 27 187 189 N 5.397952 -1.983114 0.414163 27 190 190 N 6.123077 -1.272624 0.890069 27 189 191 N -0.537650 6.811215 -0.107187 27 192 192 N 0.515345 7.134584 -0.316291 27 191 193 N 4.530829 4.810555 2.647831 27 194 194 N 4.000822 5.156869 1.722495 27 193 195 N -0.875533 -0.138033 4.915162 27 196 196 N -1.298311 0.895065 5.020309 27 195 197 N -5.197135 -2.395233 1.354961 27 198 198 N -4.327059 -2.556352 0.666411 27 197 199 N 0.185949 8.834104 4.740590 27 200 200 N -0.226752 8.559591 3.734901 27 199 201 N -4.671362 -3.141672 -9.029699 27 202 202 N -5.558166 -2.669340 -8.532133 27 201 203 N 0.715106 3.922572 2.728100 27 204 204 N 0.039957 4.783496 2.482999 27 203 205 N -8.974789 -7.989586 -7.205769 27 206 206 N -9.109930 -9.096650 -7.090727 27 205 207 N 8.395596 3.742745 -2.759591 27 208 208 N 9.445139 4.007743 -2.467489 27 207 209 N 8.789252 2.291597 6.190844 27 210 210 N 7.716744 1.972948 6.263500 27 209 211 N 0.006146 -3.852272 7.013996 27 212 212 N -0.035587 -3.753725 5.897915 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.228873 2.466490 0.065720 27 2 2 N -6.926680 3.326747 0.718197 27 1 3 N -4.967804 1.539466 -2.247016 27 4 4 N -4.334007 0.614670 -2.235004 27 3 5 N -0.436061 -7.422373 5.301770 27 6 6 N -1.482266 -7.822190 5.353638 27 5 7 N -8.572931 8.969058 -2.461317 27 8 8 N -9.016385 8.944215 -1.431841 27 7 9 N 1.321473 2.958997 -5.566163 27 10 10 N 2.247585 2.414005 -5.886147 27 9 11 N -3.174503 3.725700 6.724350 27 12 12 N -2.303263 3.561790 7.410763 27 11 13 N 4.392327 -6.679352 -4.603381 27 14 14 N 4.942521 -7.139452 -5.465172 27 13 15 N -4.385568 4.265395 -8.523891 27 16 16 N -4.411782 4.835801 -7.558988 27 15 17 N -5.112491 -6.728951 -7.657505 27 18 18 N -4.877438 -6.026917 -6.815491 27 17 19 N 3.307863 6.615021 -7.993734 27 20 20 N 3.251796 5.543308 -7.669116 27 19 21 N -2.565836 7.383851 -3.606049 27 22 22 N -1.816151 7.761190 -2.862627 27 21 23 N 1.624539 6.562880 -4.860150 27 24 24 N 1.034151 6.060756 -4.049962 27 23 25 N -1.727179 -1.565935 -0.600414 27 26 26 N -1.711036 -1.410271 -1.710638 27 25 27 N 0.920421 -4.343828 -6.058418 27 28 28 N 0.477559 -5.349860 -6.279466 27 27 29 N 0.531317 0.283505 1.541913 27 30 30 N -0.426064 0.749220 1.893508 27 29 31 N 3.962310 5.020998 -1.316259 27 32 32 N 4.011206 5.154661 -2.428389 27 31 33 N 2.177285 -6.098352 2.331090 27 34 34 N 2.399183 -7.148065 2.656597 27 33 35 N 8.043120 1.072498 -0.664290 27 36 36 N 8.276929 -0.006121 -0.861786 27 35 37 N -6.435006 4.611556 -3.785788 27 38 38 N -5.333438 4.413577 -3.719136 27 37 39 N -1.988726 1.229922 -8.022342 27 40 40 N -3.099162 1.371651 -7.959595 27 39 41 N -6.591479 9.110022 -5.233478 27 42 42 N -6.478988 8.013977 -5.441133 27 41 43 N 6.976895 -3.144595 -2.064788 27 44 44 N 7.418733 -3.341474 -1.053300 27 43 45 N -7.858230 -1.452835 6.839282 27 46 46 N -8.715025 -0.960458 6.309605 27 45 47 N 5.951068 8.013609 -6.204697 27 48 48 N 6.467262 7.900828 -5.215802 27 47 49 N -8.228113 -6.564575 8.887391 27 50 50 N -8.262665 -5.550144 8.411129 27 49 51 N -3.995827 -5.193138 -0.962907 27 52 52 N -3.097234 -5.822028 -0.730273 27 51 53 N 7.306769 -6.927472 -2.381818 27 54 54 N 6.395065 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-1.745353 -7.520220 -4.587712 27 127 129 N 8.184063 -3.847811 -6.141854 27 130 130 N 7.826246 -4.491100 -5.296138 27 129 131 N 7.577050 -5.843582 6.462062 27 132 132 N 6.832740 -5.872867 5.624067 27 131 133 N -7.456007 -5.661932 -4.549035 27 134 134 N -7.085635 -5.722046 -3.492484 27 133 135 N 4.062917 8.570265 0.566310 27 136 136 N 4.146494 8.682141 -0.546160 27 135 137 N 8.976190 0.995829 -9.235226 27 138 138 N 8.596798 0.293041 -8.448308 27 137 139 N 0.912039 -4.531976 -2.225878 27 140 140 N -0.140418 -4.616903 -2.602992 27 139 141 N -7.810605 -8.881049 3.328020 27 142 142 N -7.658723 -8.081070 4.098770 27 141 143 N 7.510883 2.619830 2.098296 27 144 144 N 6.970657 3.452425 2.619860 27 143 145 N -2.068906 7.334419 -6.908330 27 146 146 N -3.064343 7.847916 -6.958493 27 145 147 N 0.935311 2.789981 -2.050167 27 148 148 N 0.289480 2.220741 -1.331866 27 147 149 N 7.829111 -0.447219 -5.001643 27 150 150 N 8.663712 0.299128 -5.060776 27 149 151 N -7.999798 2.165860 4.728060 27 152 152 N -6.961484 2.313311 4.331514 27 151 153 N 1.179611 -9.067707 -7.488835 27 154 154 N 1.964329 -8.540962 -6.885637 27 153 155 N 5.517611 1.604849 -3.067580 27 156 156 N 4.608411 1.583187 -2.411853 27 155 157 N 8.166683 8.688315 7.927824 27 158 158 N 9.032088 8.544481 7.229629 27 157 159 N -5.611374 1.701053 -5.699002 27 160 160 N -6.264126 2.186386 -6.470661 27 159 161 N 2.338681 -4.227503 -8.997043 27 162 162 N 1.984588 -5.291038 -8.972521 27 161 163 N 3.695219 -4.731947 5.385818 27 164 164 N 3.618972 -5.832493 5.586004 27 163 165 N 1.756773 -1.455918 -1.809095 27 166 166 N 2.396913 -0.607901 -1.451080 27 165 167 N 6.439959 -1.897954 4.803053 27 168 168 N 5.695003 -1.175026 4.379372 27 167 169 N -1.151025 -2.964896 -8.275347 27 170 170 N -1.289373 -1.877105 -8.041554 27 169 171 N -2.550194 3.204828 -5.190482 27 172 172 N -2.110719 3.345041 -4.168577 27 171 173 N 2.837769 1.732408 4.656841 27 174 174 N 2.605227 2.123133 5.681704 27 173 175 N -6.694552 -2.713200 -2.704520 27 176 176 N -6.172021 -1.721240 -2.712671 27 175 177 N 3.188225 2.759383 1.117258 27 178 178 N 4.270977 2.543801 0.921653 27 177 179 N 7.285149 -4.107989 2.402902 27 180 180 N 8.187791 -4.758011 2.543609 27 179 181 N 3.761605 -4.107804 -0.279735 27 182 182 N 3.789814 -5.223155 -0.390587 27 181 183 N -8.132819 -4.361392 5.063149 27 184 184 N -7.063880 -4.650741 5.238467 27 183 185 N 7.081935 -8.072234 1.326301 27 186 186 N 6.990941 -9.164682 1.091000 27 185 187 N 6.208554 -2.232883 8.138587 27 188 188 N 5.821689 -3.203665 8.544795 27 187 189 N 5.081432 -1.148587 0.150466 27 190 190 N 5.316465 -1.206956 1.245200 27 189 191 N 1.018136 6.165241 -0.220733 27 192 192 N -0.027934 6.195123 0.181676 27 191 193 N 5.514046 6.235287 3.014440 27 194 194 N 4.518982 5.720941 2.965590 27 193 195 N -1.073622 0.351222 5.199586 27 196 196 N -0.937839 1.462967 5.147877 27 195 197 N -6.244189 -2.006749 1.144973 27 198 198 N -6.690202 -3.034657 1.105351 27 197 199 N 1.453498 7.943381 3.621192 27 200 200 N 1.606804 7.405555 2.649426 27 199 201 N -4.452806 -3.901996 8.824240 27 202 202 N -4.138682 -3.024002 8.201711 27 201 203 N 0.560576 4.278114 3.842102 27 204 204 N 0.359145 3.537897 3.024426 27 203 205 N 8.572247 -8.063013 -6.035125 27 206 206 N 8.909037 -7.373075 -6.852222 27 205 207 N 8.583705 3.515399 -2.847506 27 208 208 N 7.755013 3.997448 -3.428872 27 207 209 N 6.077268 2.399931 6.075224 27 210 210 N 6.483017 1.618272 6.769102 27 209 211 N -1.303687 -4.506175 6.559399 27 212 212 N -1.272853 -3.398083 6.391259 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.539352 3.275158 0.043223 27 2 2 N -8.164972 3.311576 0.972933 27 1 3 N -4.680590 1.806597 -3.289049 27 4 4 N -5.081327 2.439169 -2.454572 27 3 5 N -0.142090 -7.666293 4.836439 27 6 6 N 0.350375 -6.973579 5.567682 27 5 7 N -9.172223 8.007230 -2.848300 27 8 8 N -8.628041 8.920533 -2.492164 27 7 9 N 2.325708 1.827065 -4.900146 27 10 10 N 3.119667 2.400402 -5.446044 27 9 11 N -3.510353 3.867543 6.911195 27 12 12 N -4.473435 4.190436 6.436536 27 11 13 N 4.783906 -5.307408 -4.901250 27 14 14 N 4.229889 -5.782583 -5.752345 27 13 15 N -4.843097 5.043239 -8.229613 27 16 16 N -4.214421 4.411913 -7.548964 27 15 17 N -5.130045 -6.531109 -6.447906 27 18 18 N -4.335114 -6.636321 -7.231555 27 17 19 N 3.494293 6.329342 -8.380827 27 20 20 N 2.507482 5.858422 -8.132779 27 19 21 N 0.011238 7.802488 -2.604004 27 22 22 N -1.106813 7.886240 -2.609909 27 21 23 N 2.436433 5.884077 -4.334972 27 24 24 N 1.500908 5.287383 -4.495721 27 23 25 N -3.372055 -1.575305 -1.316520 27 26 26 N -2.618196 -2.359982 -1.046213 27 25 27 N 0.727528 -4.483060 -5.548889 27 28 28 N 1.016545 -5.541303 -5.317200 27 27 29 N -1.619906 0.296786 0.594589 27 30 30 N -1.262452 1.152339 1.224942 27 29 31 N 4.168164 4.589647 -0.727520 27 32 32 N 3.574042 4.326603 -1.641258 27 31 33 N 2.458518 -6.845568 1.771198 27 34 34 N 2.784348 -7.090111 0.726629 27 33 35 N -8.057032 0.427497 -1.169056 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59 61 N -1.252143 -9.251940 0.702532 27 62 62 N -1.155541 -8.318669 1.316343 27 61 63 N -9.211794 5.389182 4.575351 27 64 64 N -9.058150 5.836658 3.558863 27 63 65 N -8.900686 -2.312473 2.710152 27 66 66 N -9.335359 -1.283444 2.613985 27 65 67 N 2.420729 -7.407876 -3.217414 27 68 68 N 1.917251 -7.962000 -2.382820 27 67 69 N -4.619475 8.320892 4.920736 27 70 70 N -4.297326 7.421180 5.507106 27 69 71 N 2.436540 -1.855250 6.749003 27 72 72 N 1.488821 -1.292499 6.954506 27 71 73 N 0.818742 -0.428232 -7.563263 27 74 74 N 0.309311 -0.049020 -8.487259 27 73 75 N -4.971859 -9.188339 -1.574027 27 76 76 N -4.664230 -9.069239 -2.645600 27 75 77 N 3.337509 -1.276287 -6.112961 27 78 78 N 3.358715 -2.003468 -5.259822 27 77 79 N 2.225142 8.838331 8.278385 27 80 80 N 2.130763 8.719678 7.167483 27 79 81 N -0.480955 -3.879682 3.208360 27 82 82 N -0.254310 -2.910686 2.691862 27 81 83 N -2.129967 7.390819 7.768362 27 84 84 N -1.276199 8.117069 7.795381 27 83 85 N 5.410640 -7.855327 -8.423311 27 86 86 N 4.716643 -7.073652 -8.828825 27 85 87 N -5.250539 0.753167 9.039168 27 88 88 N -5.660674 0.971677 8.018809 27 87 89 N -3.055382 -3.871219 -3.729650 27 90 90 N -2.611111 -4.073778 -4.738948 27 89 91 N -8.041359 -6.696908 0.741519 27 92 92 N -8.257252 -5.600863 0.645788 27 91 93 N -0.432267 -6.439719 -9.111373 27 94 94 N -0.077320 -6.793044 -8.108246 27 93 95 N -9.023627 5.423852 -7.127206 27 96 96 N -8.429755 6.011779 -6.379712 27 95 97 N 6.623115 5.090148 7.997605 27 98 98 N 7.012775 6.057515 7.585958 27 97 99 N -5.232874 -1.360514 5.571839 27 100 100 N -5.283723 -1.296110 4.453645 27 99 101 N -7.257249 7.579438 0.350603 27 102 102 N -7.425057 8.143571 1.304901 27 101 103 N -5.350501 8.915704 8.579511 27 104 104 N -6.097278 8.264787 9.104603 27 103 105 N -2.744611 4.928970 -0.321984 27 106 106 N -2.556943 3.890634 -0.701098 27 105 107 N 3.035742 -2.346297 2.683240 27 108 108 N 3.556192 -3.337533 2.622634 27 107 109 N 8.091223 5.508106 -0.701272 27 110 110 N 7.040324 5.710374 -1.035614 27 109 111 N -2.879192 -7.001489 6.762651 27 112 112 N -3.897529 -6.877412 7.215070 27 111 113 N -5.275215 1.582396 1.211814 27 114 114 N -4.751065 0.600156 1.344336 27 113 115 N 0.404636 2.687688 7.837538 27 116 116 N -0.301855 3.062683 8.623246 27 115 117 N 4.123833 5.561163 5.740444 27 118 118 N 3.156059 5.140297 6.119090 27 117 119 N 5.968550 8.719565 4.547424 27 120 120 N 5.517017 8.956300 5.546006 27 119 121 N -3.715706 -5.210196 2.954344 27 122 122 N -3.665766 -5.368324 4.063214 27 121 123 N -5.053541 5.204664 2.502699 27 124 124 N -5.906594 5.093201 3.221704 27 123 125 N -7.777316 -1.086330 -7.908034 27 126 126 N -7.582836 -2.170615 -7.699239 27 125 127 N -1.919305 -7.090208 -4.698151 27 128 128 N -1.301545 -7.941654 -4.310205 27 127 129 N 8.294572 -4.646605 -6.927244 27 130 130 N 8.973678 -5.533123 -7.027196 27 129 131 N 7.034895 -4.769116 7.917563 27 132 132 N 7.002770 -4.435290 6.847695 27 131 133 N -7.134969 -6.434282 -3.085244 27 134 134 N -7.100105 -5.603317 -2.333333 27 133 135 N 5.066994 8.388610 -1.570597 27 136 136 N 4.380458 7.899804 -0.831118 27 135 137 N 8.406177 2.646192 -8.976848 27 138 138 N 9.392228 2.114945 -9.027533 27 137 139 N 0.138784 -4.303157 -0.569532 27 140 140 N 0.256335 -4.511919 -1.664836 27 139 141 N -8.734544 -8.935312 4.355674 27 142 142 N -9.010100 -7.947723 3.901992 27 141 143 N 7.311060 2.118335 0.210527 27 144 144 N 6.330418 2.544869 0.547423 27 143 145 N -1.394023 7.487305 -6.092222 27 146 146 N -1.405985 7.551630 -7.211511 27 145 147 N 1.109451 2.097229 -1.605134 27 148 148 N -0.000559 2.087928 -1.762874 27 147 149 N 7.047385 1.523288 -6.011600 27 150 150 N 7.376920 0.469927 -6.208899 27 149 151 N -6.832881 1.919530 4.682270 27 152 152 N -7.281906 1.704072 3.677760 27 151 153 N 2.211656 -9.519145 -6.196822 27 154 154 N 2.657636 -8.561955 -6.573624 27 153 155 N 5.628869 2.209136 -2.596908 27 156 156 N 4.977817 1.341268 -2.879798 27 155 157 N 7.924627 -8.423818 7.991991 27 158 158 N 7.989858 -9.335468 8.641396 27 157 159 N 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-7.759869 -4.514456 5.289991 27 184 184 N -6.737479 -4.105808 5.078294 27 183 185 N 7.601163 -8.642896 1.417873 27 186 186 N 7.979010 -9.325870 0.612970 27 185 187 N 6.516741 -0.943012 9.075133 27 188 188 N 5.783714 -1.686691 8.666842 27 187 189 N 6.121363 -0.861436 0.831058 27 190 190 N 5.852406 -1.898188 0.499550 27 189 191 N 0.519334 5.655942 0.293536 27 192 192 N 0.795804 4.586872 0.099259 27 191 193 N 5.957373 5.380810 2.131119 27 194 194 N 5.133454 5.058372 2.819798 27 193 195 N -2.029592 0.571988 5.873655 27 196 196 N -2.926172 0.841950 6.490382 27 195 197 N -6.560140 -2.694419 0.205202 27 198 198 N -5.693844 -3.158639 0.744759 27 197 199 N 1.373151 7.734593 3.756669 27 200 200 N 1.231025 8.251580 2.771979 27 199 201 N -4.431528 -3.092584 8.087359 27 202 202 N -5.272332 -3.833500 8.052994 27 201 203 N -0.124000 3.250039 4.347312 27 204 204 N -1.218153 3.305018 4.108783 27 203 205 N 8.886931 -8.878574 -6.773006 27 206 206 N 8.212249 -9.079604 -5.900377 27 205 207 N 8.329145 4.430947 -3.882690 27 208 208 N 8.978767 3.636262 -3.431517 27 207 209 N 7.886350 1.953354 4.911969 27 210 210 N 7.321378 1.576221 4.019967 27 209 211 N -0.497495 -3.952509 6.423926 27 212 212 N -1.456217 -3.775231 6.977564 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.039663 3.597907 0.101925 27 2 2 N -7.405300 3.122584 1.049272 27 1 3 N -5.563456 1.180737 -3.334163 27 4 4 N -5.119407 1.100788 -2.307753 27 3 5 N -0.372231 -6.782991 4.828648 27 6 6 N -1.476798 -6.659285 4.681276 27 5 7 N -8.547194 7.129837 -2.908891 27 8 8 N -7.684250 7.799398 -3.162079 27 7 9 N 3.065946 2.160965 -6.695436 27 10 10 N 4.135955 1.842756 -6.590965 27 9 11 N -3.530555 5.549422 7.245881 27 12 12 N -4.377410 5.087374 6.674535 27 11 13 N 5.045899 -6.226024 -5.075885 27 14 14 N 4.177387 -6.521241 -4.431196 27 13 15 N -5.584379 5.657329 -7.857380 27 16 16 N -4.664742 5.116927 -7.511950 27 15 17 N -3.730163 -7.397607 -6.931180 27 18 18 N -4.417720 -6.562332 -6.636780 27 17 19 N 3.011093 5.802299 -7.884690 27 20 20 N 1.972729 6.147739 -8.128739 27 19 21 N -0.452601 7.814759 -2.163379 27 22 22 N -1.456621 7.362827 -1.951737 27 21 23 N 1.848567 5.662239 -3.743109 27 24 24 N 2.327905 6.033027 -4.686424 27 23 25 N -2.388249 -0.888423 -1.507768 27 26 26 N -2.759303 -1.683858 -2.205400 27 25 27 N 1.031110 -4.594253 -5.434517 27 28 28 N 0.255692 -4.657760 -4.627186 27 27 29 N -0.241306 1.529359 0.369125 27 30 30 N -0.339770 0.896032 1.289066 27 29 31 N 3.648017 4.111621 -1.557523 27 32 32 N 4.635217 4.453739 -1.964316 27 31 33 N 2.355860 -7.040897 3.141389 27 34 34 N 2.131404 -7.565194 2.176080 27 33 35 N -9.058335 0.456676 -1.116717 27 36 36 N -8.509909 -0.454186 -0.760839 27 35 37 N -5.603408 4.951579 -2.962385 27 38 38 N -4.877487 4.571955 -3.727900 27 37 39 N -3.121483 0.769638 -6.040985 27 40 40 N -3.298793 1.386870 -6.960047 27 39 41 N -4.201761 8.597057 -4.665824 27 42 42 N -4.789239 7.651547 -4.799871 27 41 43 N 6.382824 -3.986887 -2.559906 27 44 44 N 7.086737 -3.243030 -2.103536 27 43 45 N -9.179423 -1.690011 6.483569 27 46 46 N -8.292448 -1.086577 6.157635 27 45 47 N 6.657351 6.721983 -4.899969 27 48 48 N 5.880931 6.871831 -4.105107 27 47 49 N -8.363425 -5.675824 8.564052 27 50 50 N -7.668210 -4.823931 8.783241 27 49 51 N -2.732596 -6.174000 -0.761376 27 52 52 N -1.699149 -5.871040 -0.449460 27 51 53 N 7.555961 -7.870235 -3.281482 27 54 54 N 7.852921 -7.269224 -2.382767 27 53 55 N 2.288885 2.709473 8.543079 27 56 56 N 2.176900 2.139846 7.583874 27 55 57 N -7.989122 5.460958 6.308391 27 58 58 N -7.351720 5.429193 7.230235 27 57 59 N -0.231498 -1.212521 -4.399363 27 60 60 N 0.800522 -0.800658 -4.549003 27 59 61 N -1.614665 -8.377272 1.786132 27 62 62 N -1.690226 -9.441055 1.440087 27 61 63 N 8.149940 6.046834 3.478178 27 64 64 N 9.197798 5.760774 3.200234 27 63 65 N -7.930103 -1.136349 2.258804 27 66 66 N -8.917070 -1.232518 2.782003 27 65 67 N 1.870157 -6.683365 -1.306235 27 68 68 N 1.718768 -7.246979 -2.263581 27 67 69 N -4.650747 8.215439 4.128880 27 70 70 N -4.550271 9.048529 3.385270 27 69 71 N 2.283447 -0.920725 6.368085 27 72 72 N 1.274041 -1.086125 5.908919 27 71 73 N 0.472323 -1.180025 -7.753790 27 74 74 N 0.830847 -0.518635 -8.585123 27 73 75 N -4.689144 8.481012 -1.221716 27 76 76 N -4.357876 9.070051 -0.327075 27 75 77 N 4.692129 -1.799465 -5.965050 27 78 78 N 3.851932 -1.704608 -5.228736 27 77 79 N 1.800886 8.942584 7.231221 27 80 80 N 2.411865 9.190532 8.138037 27 79 81 N -0.769112 -3.700138 3.303654 27 82 82 N -0.836426 -3.992985 2.223468 27 81 83 N -1.709063 8.212524 6.177358 27 84 84 N -2.031862 8.872708 7.024143 27 83 85 N 6.077800 -8.772004 -7.484642 27 86 86 N 5.936580 -7.780528 -7.988747 27 85 87 N -6.232686 1.805899 9.116489 27 88 88 N -5.273116 2.276528 8.777635 27 87 89 N -4.105513 -3.990536 -3.788859 27 90 90 N -3.141000 -4.382111 -4.205361 27 89 91 N -8.797861 -5.380634 1.144258 27 92 92 N -8.974369 -4.301754 0.895358 27 91 93 N -0.076273 -6.949739 8.580635 27 94 94 N -0.851655 -6.984289 9.389757 27 93 95 N -8.578698 5.354573 -6.497870 27 96 96 N -9.018017 5.790791 -7.432645 27 95 97 N 6.199255 4.701221 8.485248 27 98 98 N 5.177230 4.281928 8.293555 27 97 99 N -3.825247 -1.727165 4.926966 27 100 100 N -3.330364 -1.184204 4.079987 27 99 101 N -8.106905 8.293301 0.517616 27 102 102 N -7.242737 7.624233 0.767917 27 101 103 N -5.103400 8.829872 8.890185 27 104 104 N -5.266112 8.122998 8.035233 27 103 105 N -2.326884 4.337166 -0.032874 27 106 106 N -2.453500 4.113907 -1.124301 27 105 107 N 3.175139 -2.705114 2.723313 27 108 108 N 2.071254 -2.698665 2.527135 27 107 109 N 7.221984 6.482347 0.055997 27 110 110 N 7.095697 6.880220 -0.984597 27 109 111 N -4.295790 -5.636505 8.283189 27 112 112 N -4.736791 -5.906715 7.288406 27 111 113 N -4.434656 1.618468 1.285343 27 114 114 N -3.994512 0.629709 0.992564 27 113 115 N -0.712175 4.603851 -8.820421 27 116 116 N -1.008251 3.590589 -8.442629 27 115 117 N 1.669604 5.282736 6.538889 27 118 118 N 1.808388 4.841788 5.517423 27 117 119 N 4.794081 7.358146 5.292005 27 120 120 N 5.075413 8.099528 4.499354 27 119 121 N -4.702911 -5.957195 3.834620 27 122 122 N -3.985206 -5.272752 3.311623 27 121 123 N -4.578338 4.530033 2.993017 27 124 124 N -4.914993 5.010456 2.037534 27 123 125 N 8.143464 -1.182088 -8.386939 27 126 126 N 9.230204 -1.140807 -8.659670 27 125 127 N -1.094622 -7.890584 -4.359318 27 128 128 N -2.083447 -7.645605 -3.891025 27 127 129 N -8.894160 -4.608414 -5.448964 27 130 130 N -9.220894 -5.629282 -5.777845 27 129 131 N 5.691622 -4.946002 8.251408 27 132 132 N 6.737788 -5.189886 8.572573 27 131 133 N -6.488431 -6.556409 -2.177399 27 134 134 N -6.373137 -7.103484 -3.149255 27 133 135 N 3.648481 7.655409 -0.676688 27 136 136 N 4.007144 8.557631 -1.237442 27 135 137 N 9.369547 2.031868 7.501501 27 138 138 N 8.355066 1.703568 7.848108 27 137 139 N 1.110444 -3.521468 -0.691230 27 140 140 N 0.212194 -3.534416 -1.362102 27 139 141 N -8.181010 -8.432524 4.405005 27 142 142 N -8.128628 -9.394320 3.831164 27 141 143 N 7.528853 2.796916 0.109705 27 144 144 N 6.438877 2.547485 0.192325 27 143 145 N -1.898355 8.477269 -7.458693 27 146 146 N -1.458084 8.069683 -8.405860 27 145 147 N 1.308396 1.969017 -3.164277 27 148 148 N 0.250932 2.142608 -2.834540 27 147 149 N 7.279380 1.536800 -6.197643 27 150 150 N 7.452432 2.171733 -7.105388 27 149 151 N -5.037154 1.822304 5.167133 27 152 152 N -6.067525 2.022987 4.773244 27 151 153 N 2.908417 8.899893 -6.612351 27 154 154 N 1.965698 9.301151 -6.156979 27 153 155 N 6.003716 1.375855 -2.911048 27 156 156 N 5.610599 0.642037 -3.662087 27 155 157 N 8.982078 8.303573 8.588556 27 158 158 N 8.559897 8.021284 7.588974 27 157 159 N -6.917869 2.715902 -5.835609 27 160 160 N -7.705533 2.052842 -6.279487 27 159 161 N 3.350763 -3.403854 -8.559275 27 162 162 N 2.510133 -3.425337 -9.300873 27 161 163 N 2.778497 -4.997583 6.007208 27 164 164 N 2.639920 -6.073381 6.291011 27 163 165 N 4.066937 -2.019126 -1.107644 27 166 166 N 3.142900 -1.493470 -0.751373 27 165 167 N 5.957776 -3.357383 5.216378 27 168 168 N 6.343828 -2.583754 4.502550 27 167 169 N -1.874733 -3.715165 -7.548362 27 170 170 N -2.572549 -2.999192 -8.055829 27 169 171 N -2.112597 3.938413 -5.176840 27 172 172 N -1.662852 4.845297 -4.694782 27 171 173 N 5.487144 1.888340 5.548127 27 174 174 N 4.785852 1.720976 4.689486 27 173 175 N -5.565225 -1.052383 -7.049190 27 176 176 N -5.264017 -2.054080 -6.645501 27 175 177 N 3.449506 1.081649 1.360578 27 178 178 N 2.796782 1.720372 2.011019 27 177 179 N 7.273901 -7.563371 5.677558 27 180 180 N 6.719019 -7.816006 6.618499 27 179 181 N 5.291783 -5.589767 0.256230 27 182 182 N 4.593601 -5.409698 1.114838 27 181 183 N -8.908394 -4.819459 4.390472 27 184 184 N -8.150942 -5.131651 5.155908 27 183 185 N 6.965505 -7.871650 1.164054 27 186 186 N 7.371270 -8.501976 1.997801 27 185 187 N 5.511619 -0.348214 7.928411 27 188 188 N 4.952491 -0.038336 8.849518 27 187 189 N 6.033768 -1.553913 1.444299 27 190 190 N 6.796849 -0.814496 1.086444 27 189 191 N 1.489962 4.450807 2.028980 27 192 192 N 1.268217 4.581041 0.937669 27 191 193 N 4.842576 5.281831 2.283231 27 194 194 N 5.009539 4.242660 2.669673 27 193 195 N -1.995971 0.866308 7.449337 27 196 196 N -1.728512 -0.201857 7.238200 27 195 197 N -5.692888 -3.899590 0.058189 27 198 198 N -6.107671 -2.858539 0.093663 27 197 199 N 1.042820 7.870112 3.406214 27 200 200 N 2.048413 7.961340 3.893605 27 199 201 N -4.561177 -1.386254 7.837075 27 202 202 N -5.678266 -1.476701 7.869056 27 201 203 N -1.943669 2.824298 4.659380 27 204 204 N -0.860860 2.800127 4.369500 27 203 205 N -8.166378 -9.409034 -6.522006 27 206 206 N -7.475808 -8.833478 -7.192035 27 205 207 N 8.613431 3.378212 -3.495526 27 208 208 N 9.548740 2.978146 -3.024109 27 207 209 N 8.330440 2.412847 3.609921 27 210 210 N 9.050638 2.806566 4.373720 27 209 211 N -0.667248 -3.970043 7.011073 27 212 212 N -1.758730 -3.939352 6.756489 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.734494 4.662275 -0.821246 27 2 2 N -7.250059 4.175559 0.065048 27 1 3 N -7.335710 0.508802 -3.129525 27 4 4 N -7.222477 1.114898 -2.193087 27 3 5 N -1.085123 -7.950832 5.195826 27 6 6 N -1.590684 -8.010652 4.196866 27 5 7 N -7.741646 7.988013 -3.533934 27 8 8 N -8.814526 7.717342 -3.352948 27 7 9 N 3.644892 4.126827 -5.685270 27 10 10 N 3.268054 3.107256 -5.410394 27 9 11 N -3.650119 5.046820 6.133797 27 12 12 N -3.403852 4.618681 7.140344 27 11 13 N 4.922600 -6.100825 -3.528099 27 14 14 N 4.880576 -7.217637 -3.438350 27 13 15 N -4.806011 5.950424 -8.218298 27 16 16 N -3.913321 6.602642 -8.031741 27 15 17 N -4.633439 -5.827753 -8.476913 27 18 18 N -5.181613 -5.241257 -7.694213 27 17 19 N 2.375482 7.075066 -8.687761 27 20 20 N 2.234467 6.146790 -9.300547 27 19 21 N -1.157835 8.059670 -2.487726 27 22 22 N -1.853047 7.192420 -2.340597 27 21 23 N 1.837154 6.407425 -2.633971 27 24 24 N 2.496415 6.911919 -3.387596 27 23 25 N -3.768280 1.014797 -3.283180 27 26 26 N -3.451994 0.290441 -2.487968 27 25 27 N 1.756743 -4.530982 -4.440367 27 28 28 N 1.904386 -4.755149 -5.528962 27 27 29 N -0.028678 -0.741560 0.795676 27 30 30 N 0.246622 -1.034047 1.842456 27 29 31 N 4.399700 4.245603 -1.528287 27 32 32 N 5.136186 3.628490 -2.106084 27 31 33 N 2.078977 -5.992153 1.838473 27 34 34 N 1.962417 -6.873058 2.522219 27 33 35 N -9.371307 -1.710690 -0.712085 27 36 36 N -8.418482 -1.300807 -0.286401 27 35 37 N -5.180590 5.046280 -3.829543 27 38 38 N -4.537571 5.957510 -3.944772 27 37 39 N -2.477186 1.498456 -6.725306 27 40 40 N -2.841351 0.684290 -7.404722 27 39 41 N -4.307734 -9.165724 -5.563617 27 42 42 N -4.507487 -8.885154 -4.496627 27 41 43 N 8.180910 -3.870620 -2.969897 27 44 44 N 7.921615 -2.978108 -3.597016 27 43 45 N -9.332772 -2.304500 6.653052 27 46 46 N -8.757632 -1.761012 7.447360 27 45 47 N 6.160249 6.038322 -4.505186 27 48 48 N 6.054829 7.083474 -4.897145 27 47 49 N -8.441861 -5.539283 8.989850 27 50 50 N -7.662321 -5.472604 8.186756 27 49 51 N -2.520986 -7.453685 -2.152841 27 52 52 N -3.503881 -7.180142 -1.687889 27 51 53 N 7.165660 -7.666719 -0.737812 27 54 54 N 7.892238 -7.844739 -1.572966 27 53 55 N 2.593053 2.742747 7.707176 27 56 56 N 2.560726 3.023069 8.792286 27 55 57 N -7.249296 5.412210 6.108385 27 58 58 N -8.067060 4.665096 5.934685 27 57 59 N -0.513761 -1.081549 -4.851292 27 60 60 N 0.570976 -1.302348 -4.673291 27 59 61 N -1.628972 8.103434 1.308205 27 62 62 N -1.152132 9.032838 0.900869 27 61 63 N 8.475503 5.092119 3.040241 27 64 64 N 8.978462 5.635282 2.198162 27 63 65 N -7.254812 -2.412223 3.473742 27 66 66 N -8.212879 -2.721638 2.980326 27 65 67 N 1.508751 -6.334929 -1.593895 27 68 68 N 1.573389 -7.310970 -2.141851 27 67 69 N -3.930825 7.930104 4.196656 27 70 70 N -4.571230 7.903834 3.276720 27 69 71 N 2.915173 -0.561052 6.996594 27 72 72 N 2.119037 -0.864533 6.267787 27 71 73 N 0.592448 0.738213 -8.658358 27 74 74 N 0.695077 0.803091 -7.543751 27 73 75 N -4.575044 6.689272 -0.171634 27 76 76 N -4.993978 7.284620 -1.024361 27 75 77 N 4.036830 -2.138949 -5.711036 27 78 78 N 4.884745 -2.572843 -5.119543 27 77 79 N 3.689223 8.565641 6.571011 27 80 80 N 3.380106 9.547868 7.014593 27 79 81 N -2.141838 -4.322749 1.757889 27 82 82 N -1.157331 -4.764355 2.062558 27 81 83 N -0.918312 7.815283 7.247407 27 84 84 N -1.969268 7.571007 7.552218 27 83 85 N 6.572878 9.211895 -7.402600 27 86 86 N 5.539913 8.852732 -7.649733 27 85 87 N -6.053576 2.902179 8.163248 27 88 88 N -5.698385 2.851708 9.225501 27 87 89 N -3.983776 -4.584209 -4.028325 27 90 90 N -3.288851 -3.900755 -3.474196 27 89 91 N -8.730116 -6.141656 1.156259 27 92 92 N -9.369871 -5.541049 1.854165 27 91 93 N -1.599548 -6.585841 8.729497 27 94 94 N -1.877885 -7.667137 8.831552 27 93 95 N -8.997158 6.269824 -6.471306 27 96 96 N -8.250455 5.513354 -6.828066 27 95 97 N 5.719114 5.242119 9.135050 27 98 98 N 5.919482 6.244151 8.673666 27 97 99 N -3.488735 -1.364655 3.962610 27 100 100 N -2.523143 -1.487862 3.406246 27 99 101 N -7.196383 9.136089 0.733203 27 102 102 N -7.974036 8.793020 1.464400 27 101 103 N -5.226434 -9.005385 8.690822 27 104 104 N -6.017444 -8.902746 7.902876 27 103 105 N -2.107747 2.871048 -1.071160 27 106 106 N -2.010754 3.908584 -0.657396 27 105 107 N 3.055077 -2.495681 2.467728 27 108 108 N 3.026998 -3.199455 3.340083 27 107 109 N 7.479234 5.913060 -1.247265 27 110 110 N 7.815725 6.786366 -0.629852 27 109 111 N -5.250476 -5.422639 5.566305 27 112 112 N -4.721542 -6.302571 5.115709 27 111 113 N -5.422277 1.420317 0.516595 27 114 114 N -6.214095 1.174407 1.271343 27 113 115 N -1.686436 4.034257 -8.272731 27 116 116 N -0.808671 4.590048 -8.694291 27 115 117 N -0.274717 4.858861 5.999712 27 118 118 N 0.744381 4.807563 5.535064 27 117 119 N 5.878628 5.994961 5.265549 27 120 120 N 6.416519 6.922594 4.938042 27 119 121 N -5.570862 -5.625726 2.131959 27 122 122 N -4.972057 -6.441039 1.648442 27 121 123 N -6.019623 4.608754 3.398137 27 124 124 N -5.069780 4.386930 2.845251 27 123 125 N 8.778569 -0.261887 -6.350420 27 126 126 N 8.345250 -0.831748 -7.213313 27 125 127 N -0.361840 -7.687467 -5.289409 27 128 128 N -0.862128 -6.713885 -5.046636 27 127 129 N -8.075581 -5.331168 -5.254984 27 130 130 N -8.520389 -4.615405 -5.994524 27 129 131 N 7.120469 -3.774139 -8.229812 27 132 132 N 6.570224 -4.117573 -7.315277 27 131 133 N -6.886600 -7.007201 -1.674588 27 134 134 N -7.296685 -7.174602 -2.704586 27 133 135 N 4.414896 8.380871 -0.360154 27 136 136 N 3.839755 9.282881 -0.695832 27 135 137 N 7.590360 2.721210 7.762667 27 138 138 N 8.220515 2.048302 8.400780 27 137 139 N -0.747272 -3.722755 -1.238742 27 140 140 N -0.450583 -3.254598 -2.213368 27 139 141 N -8.051891 8.849882 4.874294 27 142 142 N -7.011999 8.532197 5.147771 27 141 143 N 7.604067 2.885210 0.522675 27 144 144 N 7.695884 1.785549 0.324172 27 143 145 N -1.022016 7.224531 -6.311428 27 146 146 N -0.699097 7.626995 -7.306835 27 145 147 N 1.646473 1.303853 -2.025669 27 148 148 N 0.633754 1.501822 -2.464187 27 147 149 N 7.261322 3.306199 -6.181944 27 150 150 N 6.935025 2.243605 -6.328619 27 149 151 N -5.093314 1.534133 5.355364 27 152 152 N -4.072295 1.495168 4.893747 27 151 153 N 1.696634 -7.699729 -7.700216 27 154 154 N 2.786500 -7.576380 -7.467696 27 153 155 N 6.334511 0.421628 -3.370943 27 156 156 N 5.506928 -0.246394 -3.016057 27 155 157 N 9.052832 6.973961 8.521830 27 158 158 N 8.708837 7.982619 8.173456 27 157 159 N -6.351168 2.681478 -5.840028 27 160 160 N -6.585496 1.614042 -6.090551 27 159 161 N 2.015152 -2.707214 -8.451188 27 162 162 N 1.070455 -3.156464 -8.854685 27 161 163 N 2.106688 -4.472067 6.208059 27 164 164 N 1.999335 -5.449629 5.669600 27 163 165 N 3.120561 -1.496818 -0.966187 27 166 166 N 3.366114 -2.456868 -1.490682 27 165 167 N 5.800262 -2.154227 5.628170 27 168 168 N 5.101461 -2.963524 5.965519 27 167 169 N -2.274684 -2.389735 -8.064897 27 170 170 N -2.268752 -3.059444 -7.165707 27 169 171 N -1.275271 3.827167 -4.298063 27 172 172 N -0.463966 3.732733 -5.066148 27 171 173 N 4.969312 0.849400 4.145038 27 174 174 N 5.566861 1.127450 5.052072 27 173 175 N -5.586613 -1.403350 -5.966977 27 176 176 N -5.823456 -1.888232 -4.984183 27 175 177 N 2.565126 1.275245 1.543100 27 178 178 N 3.515475 1.746018 1.179372 27 177 179 N 6.306418 -7.373364 7.857759 27 180 180 N 6.638345 -6.361179 7.507909 27 179 181 N 5.745207 -4.028376 -0.173062 27 182 182 N 5.544936 -5.079554 0.161612 27 181 183 N -9.448070 -5.674112 5.120251 27 184 184 N -8.515245 -6.188401 4.770344 27 183 185 N 7.131975 9.583109 2.491299 27 186 186 N 7.093614 8.517882 2.143580 27 185 187 N 5.109851 -0.127424 -8.062695 27 188 188 N 4.213159 0.518206 -7.872452 27 187 189 N 7.268338 -1.104791 2.077340 27 190 190 N 6.533295 -1.929516 2.268732 27 189 191 N 1.317390 5.762679 0.567371 27 192 192 N 1.503786 4.657624 0.532733 27 191 193 N 5.021738 6.144755 1.815995 27 194 194 N 5.613230 5.239488 1.519822 27 193 195 N -1.377196 0.896179 7.092012 27 196 196 N -1.207673 0.276764 6.172950 27 195 197 N -5.040455 -2.062873 -0.560794 27 198 198 N -5.150746 -2.972374 0.085529 27 197 199 N 0.961709 7.769143 3.705878 27 200 200 N 2.057444 7.603221 3.535810 27 199 201 N -5.687060 -0.874327 8.194148 27 202 202 N -5.159005 -1.682169 8.764796 27 201 203 N -0.284690 2.314230 3.422085 27 204 204 N -0.821935 2.145624 2.452533 27 203 205 N -8.149146 -8.082031 -7.078922 27 206 206 N -7.907761 -9.114887 -7.442282 27 205 207 N 8.319184 3.259262 -3.133745 27 208 208 N 9.055348 3.837712 -3.750629 27 207 209 N -9.061640 0.834985 4.264510 27 210 210 N -8.771918 1.710863 3.627337 27 209 211 N -2.185226 -3.786849 6.865073 27 212 212 N -1.597257 -2.833756 6.919807 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.228326 4.924329 -0.488017 27 2 2 N -7.143505 4.294460 -0.337019 27 1 3 N -7.439754 0.740224 -2.164793 27 4 4 N -6.911912 1.705129 -2.382580 27 3 5 N -0.620156 -6.582001 4.662829 27 6 6 N 0.334931 -6.859298 4.145137 27 5 7 N -7.957193 7.606470 -3.546241 27 8 8 N -7.712106 6.638025 -3.037188 27 7 9 N 2.286084 3.538300 -7.482865 27 10 10 N 2.079037 3.111694 -6.466878 27 9 11 N -2.597610 4.532164 5.413414 27 12 12 N -1.813847 5.317985 5.572444 27 11 13 N 4.511681 -7.295200 -4.644956 27 14 14 N 4.447030 -7.165154 -3.533202 27 13 15 N -4.721235 5.534717 -7.459564 27 16 16 N -4.267462 6.553536 -7.574398 27 15 17 N -4.486196 -4.870330 -8.508590 27 18 18 N -4.872999 -5.161090 -7.497189 27 17 19 N 2.304311 7.945037 -9.175426 27 20 20 N 2.688770 6.897348 -9.067594 27 19 21 N -1.593721 6.857800 -3.412251 27 22 22 N -0.561046 7.095110 -3.778796 27 21 23 N 2.530461 6.354449 -5.208193 27 24 24 N 3.355428 6.940242 -4.725113 27 23 25 N -3.652819 1.149500 -2.313827 27 26 26 N -3.003264 1.004386 -3.216107 27 25 27 N 1.227150 -3.495629 -4.590689 27 28 28 N 1.862652 -4.417016 -4.656028 27 27 29 N -0.575325 -0.626574 1.429417 27 30 30 N 0.138710 -0.553547 2.290759 27 29 31 N 4.311447 3.486663 -2.168721 27 32 32 N 3.652674 4.060708 -2.871274 27 31 33 N 2.751346 -6.986442 1.035482 27 34 34 N 2.246839 -6.384540 1.835655 27 33 35 N 8.498181 -2.472135 0.305578 27 36 36 N 7.715324 -1.880380 -0.236686 27 35 37 N -4.109632 4.406639 -3.505444 27 38 38 N -4.669634 5.326080 -3.818678 27 37 39 N -3.030366 0.581078 -6.660715 27 40 40 N -1.976807 0.821753 -6.959342 27 39 41 N -4.835534 9.659714 -4.995364 27 42 42 N -4.704070 8.546382 -4.978047 27 41 43 N 7.581304 -4.143180 -2.644886 27 44 44 N 8.357188 -4.891565 -2.953129 27 43 45 N 7.949771 -2.026726 8.046098 27 46 46 N 9.039126 -1.878184 8.265943 27 45 47 N 7.380802 7.787175 -5.198272 27 48 48 N 7.153650 7.604590 -4.115612 27 47 49 N -8.251855 -5.105929 8.747182 27 50 50 N -8.447528 -6.200130 8.600471 27 49 51 N -2.109846 -7.195655 -2.496702 27 52 52 N -2.745772 -8.117661 -2.547610 27 51 53 N 6.954360 -8.169627 -0.147068 27 54 54 N 7.973714 -7.888966 -0.520213 27 53 55 N 3.808027 2.773581 7.988450 27 56 56 N 3.983774 1.712687 8.305792 27 55 57 N -8.508962 4.337743 7.612324 27 58 58 N -8.034202 5.352548 7.655456 27 57 59 N 0.394812 0.122545 -4.646368 27 60 60 N 1.112569 0.716432 -4.022501 27 59 61 N -0.112728 8.494772 0.238317 27 62 62 N -0.695329 9.408637 -0.048941 27 61 63 N 8.101334 5.423269 2.798370 27 64 64 N 8.871591 4.960563 3.468965 27 63 65 N -8.025501 -2.698784 4.401919 27 66 66 N -7.784574 -3.180146 3.418388 27 65 67 N 1.209976 -7.425166 -2.578152 27 68 68 N 0.960311 -8.491056 -2.820304 27 67 69 N -3.810254 6.764042 3.458317 27 70 70 N -4.263565 7.549439 2.798960 27 69 71 N 2.423210 -0.715850 6.076451 27 72 72 N 1.457039 -1.216822 5.806948 27 71 73 N 0.991872 -0.620916 -8.630428 27 74 74 N 1.245224 0.469989 -8.683618 27 73 75 N -5.048507 8.051677 -1.770873 27 76 76 N -4.135728 8.059803 -1.119831 27 75 77 N 4.629839 -1.652314 -4.826175 27 78 78 N 4.023608 -1.695566 -3.883995 27 77 79 N 4.842034 8.449040 6.684092 27 80 80 N 5.683616 9.153439 6.454636 27 79 81 N -1.317163 -4.581572 1.553951 27 82 82 N -0.370984 -4.074408 1.877404 27 81 83 N -0.735594 8.554049 6.473730 27 84 84 N -1.741436 8.894160 6.113595 27 83 85 N 5.669495 -8.955784 -7.451818 27 86 86 N 5.604305 -9.240927 -8.534192 27 85 87 N -5.097002 2.278513 8.621119 27 88 88 N -4.500961 2.474963 9.550222 27 87 89 N -4.050567 -4.803557 -4.558022 27 90 90 N -5.109814 -4.999812 -4.247266 27 89 91 N -8.207777 -5.257807 0.353457 27 92 92 N -8.258867 -5.620417 1.413169 27 91 93 N -1.565331 -6.408656 8.169995 27 94 94 N -0.763047 -6.138313 8.905077 27 93 95 N -8.163231 6.483521 -6.442398 27 96 96 N -8.518187 6.111549 -7.438758 27 95 97 N 5.856572 4.923866 -8.287924 27 98 98 N 6.297409 5.736162 -8.922690 27 97 99 N -3.499355 -2.259818 3.456367 27 100 100 N -4.502821 -2.305215 3.954448 27 99 101 N -7.629781 7.631741 1.051225 27 102 102 N -8.091069 8.388488 0.364466 27 101 103 N -4.953820 -8.233367 8.244385 27 104 104 N -4.688481 -9.237558 7.822146 27 103 105 N -2.742899 4.398627 -0.209638 27 106 106 N -2.485147 5.489768 -0.201612 27 105 107 N 3.096314 -2.913900 3.014197 27 108 108 N 2.981855 -3.931058 3.471774 27 107 109 N 6.684090 4.920366 -0.385129 27 110 110 N 7.166654 5.929122 -0.303703 27 109 111 N -7.029066 -6.022635 5.568507 27 112 112 N -6.527855 -7.003155 5.779355 27 111 113 N -4.122245 -0.666287 0.077798 27 114 114 N -4.477883 -0.093392 0.973568 27 113 115 N -0.594024 5.691557 8.982094 27 116 116 N -0.950681 4.669376 8.690498 27 115 117 N 2.097458 5.458714 5.689220 27 118 118 N 1.581380 5.003407 4.804094 27 117 119 N 5.247360 4.883127 6.047238 27 120 120 N 6.223729 5.301637 5.688570 27 119 121 N -4.960045 -7.057525 1.826466 27 122 122 N -4.720464 -7.187968 2.913974 27 121 123 N -6.470974 3.039454 3.100355 27 124 124 N -5.941352 4.015411 3.255588 27 123 125 N 8.411254 -0.438796 -6.522488 27 126 126 N 8.534581 -0.886696 -5.502064 27 125 127 N -1.018889 -6.653510 -6.155379 27 128 128 N -0.831033 -5.961771 -5.293232 27 127 129 N -8.287228 -4.343776 -6.285634 27 130 130 N -7.436897 -3.642401 -6.490816 27 129 131 N 6.775889 -3.756029 -7.076942 27 132 132 N 5.766861 -4.142819 -6.778033 27 131 133 N -6.757028 -6.675245 -2.222034 27 134 134 N -6.690377 -7.453389 -1.417584 27 133 135 N 4.236473 8.473419 -1.017076 27 136 136 N 3.168878 8.613432 -0.704463 27 135 137 N 7.883408 1.415328 8.515134 27 138 138 N 7.138092 2.028991 7.945036 27 137 139 N -2.388026 -2.340628 -2.841337 27 140 140 N -1.570439 -2.392345 -2.075852 27 139 141 N -7.724977 8.697361 3.802124 27 142 142 N -8.659913 9.310077 3.715162 27 141 143 N 8.158091 2.325030 1.120853 27 144 144 N 8.766233 1.636386 0.478184 27 143 145 N -0.579543 8.602329 -7.504305 27 146 146 N -0.906629 8.994916 -8.502293 27 145 147 N -0.167006 2.692373 -1.979831 27 148 148 N -0.279762 1.858250 -1.239146 27 147 149 N 5.420393 1.962565 -5.885365 27 150 150 N 5.294345 1.380306 -6.835194 27 149 151 N -4.503145 1.256469 5.099573 27 152 152 N -3.720765 0.663808 5.641534 27 151 153 N 1.857439 -7.178647 -6.674519 27 154 154 N 2.504033 -6.470271 -7.255218 27 153 155 N 6.490561 0.626148 -2.827515 27 156 156 N 5.985874 0.563165 -1.828308 27 155 157 N -8.537602 8.588714 8.819840 27 158 158 N -9.290355 8.575056 7.989019 27 157 159 N -7.046285 2.887224 -5.721163 27 160 160 N -7.221930 2.146675 -6.544465 27 159 161 N 1.688249 -3.898672 -8.088561 27 162 162 N 2.360219 -3.606425 -8.937170 27 161 163 N 2.474245 -6.518001 7.669704 27 164 164 N 3.060746 -6.061707 6.830119 27 163 165 N 2.110573 -3.385131 -0.912794 27 166 166 N 2.245259 -2.311751 -0.618170 27 165 167 N 4.491466 -2.931307 6.409289 27 168 168 N 5.577998 -3.203111 6.357723 27 167 169 N -1.539344 -3.451447 -7.427722 27 170 170 N -1.256141 -2.505425 -6.896755 27 169 171 N -0.938902 4.243935 -6.112396 27 172 172 N -1.762105 3.723485 -5.556918 27 171 173 N 5.202057 2.052524 4.235384 27 174 174 N 6.308445 2.233116 4.254856 27 173 175 N -5.287333 -1.365813 -5.159624 27 176 176 N -5.680167 -0.385470 -4.783193 27 175 177 N 3.780069 1.262877 0.328178 27 178 178 N 4.129053 0.446645 1.013062 27 177 179 N 6.738687 -6.580160 7.979523 27 180 180 N 5.890270 -6.282236 8.649238 27 179 181 N 6.247742 -4.931918 1.563194 27 182 182 N 5.552383 -4.148490 1.163433 27 181 183 N 7.531269 -5.121992 4.377299 27 184 184 N 8.133881 -5.539243 5.225739 27 183 185 N 5.113201 9.299313 2.926318 27 186 186 N 5.457124 8.290752 3.275045 27 185 187 N 5.259463 -0.967957 -9.076893 27 188 188 N 4.446688 -1.021326 -8.306414 27 187 189 N 6.695243 -1.488882 3.198579 27 190 190 N 6.734626 -0.904927 4.154892 27 189 191 N 1.435581 6.047407 -1.593129 27 192 192 N 0.815755 5.418084 -0.902579 27 191 193 N 3.583384 4.993539 1.252102 27 194 194 N 3.526852 4.409390 2.207437 27 193 195 N 0.323782 2.090452 6.552772 27 196 196 N -0.297802 2.078395 5.619726 27 195 197 N -3.856990 -4.595363 -0.457904 27 198 198 N -4.353586 -4.016835 0.364161 27 197 199 N 1.471806 8.337833 3.559426 27 200 200 N 2.003534 7.474328 3.081185 27 199 201 N -5.269304 -1.393601 -9.463028 27 202 202 N -6.024333 -0.992905 -8.737448 27 201 203 N -0.189909 4.685574 2.016452 27 204 204 N -0.249908 3.566418 2.047752 27 203 205 N 7.906596 -6.782853 -5.800835 27 206 206 N 7.934504 -7.159607 -4.745198 27 205 207 N 8.562860 3.593256 -2.828423 27 208 208 N 8.321270 3.857491 -3.890921 27 207 209 N -8.543621 0.590833 4.600288 27 210 210 N -8.377733 1.521075 5.203794 27 209 211 N -2.645544 -3.035692 6.702773 27 212 212 N -2.040810 -3.211655 7.630363 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.149868 4.571606 -0.972583 27 2 2 N -6.464220 3.900040 -1.552216 27 1 3 N -7.751426 0.100432 -1.692685 27 4 4 N -7.226844 0.838400 -2.353975 27 3 5 N -0.760702 -5.712128 4.058699 27 6 6 N -1.002188 -5.561798 2.974183 27 5 7 N -8.417600 7.603402 -3.249371 27 8 8 N -7.566418 6.893578 -3.418868 27 7 9 N 2.182007 3.720285 -7.000685 27 10 10 N 2.645012 2.836042 -6.489969 27 9 11 N -1.766699 4.889132 5.186557 27 12 12 N -2.566492 4.236609 5.624318 27 11 13 N 4.776518 -5.479489 -2.557116 27 14 14 N 4.473108 -6.436336 -3.056590 27 13 15 N -5.170956 6.558907 -7.541863 27 16 16 N -4.098036 6.390615 -7.820447 27 15 17 N -4.310730 -3.971191 8.775693 27 18 18 N -4.087758 -4.877256 9.397319 27 17 19 N 2.912480 7.038633 9.146810 27 20 20 N 3.610166 6.985916 8.270714 27 19 21 N -2.642184 8.826490 -3.961477 27 22 22 N -3.371246 9.158810 -3.177180 27 21 23 N 2.846736 6.538115 -4.718231 27 24 24 N 2.680657 6.920765 -5.758946 27 23 25 N -3.027711 1.793214 -3.869837 27 26 26 N -2.502853 1.073065 -4.550277 27 25 27 N 2.791308 -4.056427 -4.520730 27 28 28 N 2.215493 -3.675651 -5.404209 27 27 29 N -0.511471 0.934750 2.817854 27 30 30 N 0.295948 1.007417 2.043333 27 29 31 N 3.671897 3.723704 -3.225048 27 32 32 N 3.643702 4.514022 -2.430256 27 31 33 N 2.512584 -7.229746 0.300483 27 34 34 N 1.815999 -7.351247 -0.569630 27 33 35 N 9.272039 -1.797281 1.219030 27 36 36 N 8.407725 -1.192654 1.599129 27 35 37 N -4.131993 4.988243 -4.225242 27 38 38 N -4.019772 5.829467 -3.492549 27 37 39 N -1.434074 0.992732 -7.633372 27 40 40 N -0.781729 1.896282 -7.756393 27 39 41 N -5.582749 -8.397723 -5.718654 27 42 42 N -6.360234 -9.200673 -5.629892 27 41 43 N 8.757074 -4.639022 -1.349438 27 44 44 N 8.785425 -4.608849 -2.469874 27 43 45 N -9.040920 -2.392635 -8.977854 27 46 46 N -9.160098 -1.308776 -9.238885 27 45 47 N 6.190817 8.333984 -4.426690 27 48 48 N 6.374125 7.255128 -4.182652 27 47 49 N -7.661367 -5.808443 8.888982 27 50 50 N -8.083608 -6.795924 9.210978 27 49 51 N -3.220783 -4.827046 -1.390839 27 52 52 N -2.953256 -5.752612 -1.964290 27 51 53 N 6.751523 -8.373522 -0.869933 27 54 54 N 7.352297 -7.857836 -1.663801 27 53 55 N 4.559828 0.294454 6.741410 27 56 56 N 3.885045 1.181789 6.861383 27 55 57 N -6.804059 4.089893 7.422216 27 58 58 N -6.028673 4.896387 7.495922 27 57 59 N 1.735061 -0.350654 -4.483612 27 60 60 N 0.783410 0.052834 -4.917948 27 59 61 N -1.515510 9.120818 -0.260723 27 62 62 N -1.337268 8.799438 0.798540 27 61 63 N 9.497933 5.273343 4.422546 27 64 64 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-4.996367 -4.550395 27 90 90 N -4.364637 -4.910117 -5.609574 27 89 91 N -8.511624 -5.758170 2.405330 27 92 92 N -9.075743 -6.504185 1.787010 27 91 93 N -0.931299 -5.132130 7.876063 27 94 94 N -1.104509 -6.039973 8.510814 27 93 95 N -8.605384 5.780739 -7.649215 27 96 96 N -9.034318 6.669828 -7.117588 27 95 97 N 5.570455 4.921270 -6.388940 27 98 98 N 6.617768 4.978392 -6.785124 27 97 99 N -4.136930 -2.676063 3.383072 27 100 100 N -3.143746 -2.631204 3.901399 27 99 101 N -7.928165 8.514405 1.390201 27 102 102 N -8.562057 8.468487 0.466533 27 101 103 N -4.824999 -8.278849 7.976474 27 104 104 N -5.729952 -8.711961 7.475911 27 103 105 N -2.559385 3.291486 -0.881412 27 106 106 N -3.295177 3.839575 -0.236976 27 105 107 N 3.027375 -5.635936 3.699152 27 108 108 N 3.253340 -6.645914 4.130399 27 107 109 N 8.027043 5.232374 -1.427009 27 110 110 N 7.827988 6.050113 -0.686220 27 109 111 N -6.258267 -6.073320 5.327140 27 112 112 N -5.800291 -5.265552 5.955516 27 111 113 N -3.259539 -0.209165 -1.241647 27 114 114 N -2.966883 -0.032408 -0.173845 27 113 115 N -0.411154 5.244485 8.534263 27 116 116 N -1.362124 5.082940 9.105794 27 115 117 N 2.443622 6.326979 5.348056 27 118 118 N 1.345540 6.248633 5.560582 27 117 119 N 5.794680 4.671086 6.875941 27 120 120 N 5.640018 5.583637 6.243153 27 119 121 N -4.257064 -7.663117 1.783577 27 122 122 N -4.517922 -7.292111 2.808953 27 121 123 N -5.762724 4.647105 4.000863 27 124 124 N -5.729047 3.974505 3.104445 27 123 125 N -9.140417 0.657842 -5.296573 27 126 126 N -9.072760 -0.145367 -6.075912 27 125 127 N -2.130871 -7.201707 -6.851205 27 128 128 N -1.574998 -6.333436 -6.410525 27 127 129 N -8.330175 -4.196453 -6.076060 27 130 130 N -8.369234 -3.132224 -5.725373 27 129 131 N 6.547535 -3.417104 -6.092790 27 132 132 N 5.485880 -3.694401 -6.323192 27 131 133 N -7.856926 -7.571578 -2.334534 27 134 134 N -7.322690 -7.730124 -1.361630 27 133 135 N 3.766395 7.713239 -1.562290 27 136 136 N 2.714569 7.918274 -1.232573 27 135 137 N 7.294984 2.250967 -8.905223 27 138 138 N 8.345125 2.087986 -8.547828 27 137 139 N -1.064092 -2.038940 -3.397958 27 140 140 N -0.992065 -2.862810 -2.640896 27 139 141 N -7.745818 -9.239440 4.733470 27 142 142 N -8.143856 -8.206641 4.554639 27 141 143 N -8.066947 2.272820 2.356021 27 144 144 N -8.739045 2.434708 1.473318 27 143 145 N -1.888964 8.619156 9.443771 27 146 146 N -1.206659 8.687237 8.556689 27 145 147 N 1.211498 1.451955 -1.272490 27 148 148 N 0.593796 0.516689 -1.300929 27 147 149 N 4.976899 1.080246 -5.159471 27 150 150 N 5.610780 1.645736 -5.891252 27 149 151 N -4.967484 0.006296 4.756762 27 152 152 N -5.620210 0.878603 5.021555 27 151 153 N 1.075863 -8.956696 -7.091815 27 154 154 N 1.464729 -8.020373 -7.570534 27 153 155 N 7.332241 1.401989 -1.537491 27 156 156 N 6.457996 2.041441 -1.247858 27 155 157 N 8.256611 7.499753 7.705219 27 158 158 N 9.147612 8.160161 7.540699 27 157 159 N -6.938863 2.408014 -6.343264 27 160 160 N -6.246970 3.103745 -6.885788 27 159 161 N 1.678862 -4.011071 -9.016073 27 162 162 N 2.633021 -4.369903 -8.549266 27 161 163 N 1.692198 -8.869978 6.980303 27 164 164 N 1.692585 -7.830073 6.561153 27 163 165 N 1.255695 -4.268979 -0.986230 27 166 166 N 2.195423 -3.659729 -0.933187 27 165 167 N 4.549040 -3.104878 7.275255 27 168 168 N 4.131573 -3.575896 6.347380 27 167 169 N -2.423815 -2.528226 -7.256441 27 170 170 N -1.502367 -3.061458 -6.904753 27 169 171 N -0.767497 4.505571 -4.312166 27 172 172 N -0.881796 5.541816 -4.724743 27 171 173 N 6.413060 1.577660 3.787763 27 174 174 N 6.558925 2.560266 4.307663 27 173 175 N -4.519447 -1.712592 -4.163126 27 176 176 N -5.178859 -0.992796 -4.714632 27 175 177 N 4.454271 0.266894 0.954601 27 178 178 N 3.493236 -0.294148 0.817730 27 177 179 N 6.889475 -6.294019 -8.300257 27 180 180 N 6.410842 -5.745599 -9.153037 27 179 181 N 6.054888 -3.329510 0.388863 27 182 182 N 5.941381 -4.411442 0.660213 27 181 183 N 6.564445 -5.100725 3.529510 27 184 184 N 6.493591 -5.757303 4.435586 27 183 185 N 7.359884 7.457844 2.822371 27 186 186 N 6.377944 6.996697 2.539125 27 185 187 N 6.169749 -0.921789 -8.410493 27 188 188 N 5.052065 -0.953740 -8.327734 27 187 189 N 5.220426 -2.333940 3.567585 27 190 190 N 4.815330 -1.304279 3.748652 27 189 191 N 0.604507 5.580515 -1.475960 27 192 192 N -0.198919 6.353776 -1.592855 27 191 193 N 3.189725 3.782762 1.207205 27 194 194 N 4.058575 3.870111 1.910455 27 193 195 N -0.141059 2.038027 6.962918 27 196 196 N 0.320869 1.833252 5.962030 27 195 197 N -6.249708 -3.741365 0.755995 27 198 198 N -5.928304 -3.343258 -0.241653 27 197 199 N 1.750106 8.124109 2.810994 27 200 200 N 1.635126 7.555677 1.851435 27 199 201 N -5.086443 -0.427537 -8.133580 27 202 202 N -6.027141 -0.944002 -8.458298 27 201 203 N -0.210201 4.232747 2.554962 27 204 204 N -0.702736 4.505673 1.585420 27 203 205 N 7.882747 -6.653445 -5.277898 27 206 206 N 8.922353 -7.060194 -5.382134 27 205 207 N -9.421285 3.576865 -4.420318 27 208 208 N -8.436356 3.743479 -3.911159 27 207 209 N -8.641441 0.575890 5.906599 27 210 210 N -8.547966 1.348740 6.713478 27 209 211 N -2.045306 -1.058475 7.072137 27 212 212 N -2.594837 -2.015483 6.874040 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.947557 4.192212 0.331114 27 2 2 N -5.888009 3.123245 -0.001828 27 1 3 N -8.697962 0.608000 -1.313936 27 4 4 N -7.847559 1.058871 -1.888931 27 3 5 N -0.843857 -6.119467 2.350644 27 6 6 N -0.982614 -5.846667 3.429262 27 5 7 N -7.869328 7.900587 -3.092662 27 8 8 N -8.225483 7.641999 -2.061461 27 7 9 N 3.814031 3.256459 -9.526021 27 10 10 N 4.193796 3.059880 -8.489573 27 9 11 N -2.697698 6.391983 6.931694 27 12 12 N -1.892250 6.402235 6.151799 27 11 13 N 5.964062 -6.648513 -3.303744 27 14 14 N 5.703672 -5.701090 -2.763673 27 13 15 N -4.225155 7.549029 -7.240346 27 16 16 N -3.655346 6.632849 -7.545338 27 15 17 N -4.741813 -4.526433 8.612891 27 18 18 N -3.754077 -4.125629 8.960489 27 17 19 N 3.602432 7.518274 9.584295 27 20 20 N 4.134556 7.142522 8.671748 27 19 21 N -2.361011 -8.795737 -5.242447 27 22 22 N -2.862648 -8.214212 -4.425576 27 21 23 N 2.662982 5.834087 -6.185940 27 24 24 N 3.148914 6.550115 -5.473014 27 23 25 N -2.568885 1.498233 -4.129575 27 26 26 N -2.643943 1.270261 -5.224785 27 25 27 N 2.215741 -4.550048 -5.032989 27 28 28 N 1.838803 -3.650291 -5.585659 27 27 29 N -0.681601 1.078239 2.437678 27 30 30 N 0.379415 1.340437 2.187506 27 29 31 N 1.591137 3.180451 -3.330917 27 32 32 N 2.365537 3.972171 -3.505772 27 31 33 N 2.483714 -7.533257 0.468727 27 34 34 N 2.089582 -6.492344 0.333639 27 33 35 N 7.819173 -2.194050 0.944254 27 36 36 N 7.413882 -2.227345 1.989108 27 35 37 N -4.717405 4.415879 -4.355870 27 38 38 N -5.415181 4.763970 -3.550246 27 37 39 N -0.488791 1.552662 -8.653498 27 40 40 N -1.228356 1.811415 -7.851513 27 39 41 N -5.511758 -7.620802 -7.448674 27 42 42 N -5.308254 -7.567196 -6.347401 27 41 43 N 8.814977 -4.343017 -3.269208 27 44 44 N 9.037945 -4.354897 -2.170466 27 43 45 N 8.825085 -0.438022 -8.374827 27 46 46 N 9.361925 -1.146688 -9.057971 27 45 47 N 5.964153 7.777706 -3.773373 27 48 48 N 6.444952 6.880194 -3.303912 27 47 49 N -9.063647 -6.528534 6.905475 27 50 50 N -7.943714 -6.576335 6.881918 27 49 51 N -2.785931 -5.176576 -0.734986 27 52 52 N -2.484147 -5.525824 -1.756769 27 51 53 N 7.478932 -7.900316 -0.995620 27 54 54 N 6.946734 -8.691252 -0.405472 27 53 55 N 4.828855 0.469737 7.497381 27 56 56 N 4.416580 0.885036 6.541010 27 55 57 N -6.225563 4.904944 8.170242 27 58 58 N -6.126005 4.774712 7.061091 27 57 59 N 1.677982 -0.431643 -4.800027 27 60 60 N 1.091249 0.295892 -5.419322 27 59 61 N -1.020308 -8.183238 -0.190618 27 62 62 N -0.391553 -9.099328 -0.040491 27 61 63 N -8.339694 4.020349 4.155925 27 64 64 N -8.927882 3.940190 5.107081 27 63 65 N 6.547110 -2.262926 6.818044 27 66 66 N 7.328787 -3.045576 7.001154 27 65 67 N 2.335631 -7.657912 -3.191477 27 68 68 N 1.300556 -7.352929 -3.495938 27 67 69 N -3.621195 6.660938 2.022699 27 70 70 N -3.307847 7.182847 2.964247 27 69 71 N 0.334361 -2.348062 3.880162 27 72 72 N 0.978186 -3.177336 4.273717 27 71 73 N 1.328508 -1.761976 8.743576 27 74 74 N 1.996523 -1.038158 8.207914 27 73 75 N -4.824980 7.743454 -1.339243 27 76 76 N -3.898212 7.559702 -1.942920 27 75 77 N 5.708843 -2.208293 -1.363293 27 78 78 N 5.662443 -2.515437 -2.440604 27 77 79 N 5.055362 9.339371 5.692848 27 80 80 N 5.809322 8.682806 6.200347 27 79 81 N -0.449425 -1.516255 0.537440 27 82 82 N -0.802888 -2.579445 0.579660 27 81 83 N -0.234160 9.138057 5.091805 27 84 84 N 0.366907 8.741944 4.232211 27 83 85 N 4.106196 -8.153591 -6.293243 27 86 86 N 5.151599 -8.456055 -6.023549 27 85 87 N -3.494247 2.719584 7.381945 27 88 88 N -3.168404 1.751441 6.919760 27 87 89 N -5.241455 -4.220690 -4.823935 27 90 90 N -4.451967 -3.647590 -5.376525 27 89 91 N -8.790673 -5.769872 0.993066 27 92 92 N -7.854469 -6.271097 1.352766 27 91 93 N -0.647911 -5.047059 6.359831 27 94 94 N -0.621636 -4.480915 7.327241 27 93 95 N -7.312827 6.495784 -6.149368 27 96 96 N -8.134059 7.225282 -6.374089 27 95 97 N 5.852951 4.485412 -5.892559 27 98 98 N 6.836277 4.211439 -6.356347 27 97 99 N -3.929522 -2.795483 2.629329 27 100 100 N -3.551617 -1.860051 3.118456 27 99 101 N -8.544716 7.424758 1.643932 27 102 102 N -7.699781 6.740223 1.917036 27 101 103 N -6.842011 9.133570 7.904550 27 104 104 N -7.606591 8.383270 8.235544 27 103 105 N -2.540562 3.875099 -1.473504 27 106 106 N -2.504488 4.230801 -0.410836 27 105 107 N 3.226366 -6.389653 3.947300 27 108 108 N 2.340264 -6.840747 4.465400 27 107 109 N 8.036110 5.331075 -0.415495 27 110 110 N 7.508123 4.351305 -0.279968 27 109 111 N -5.542681 -4.464644 5.233776 27 112 112 N -6.069419 -5.012093 4.409194 27 111 113 N -3.928327 0.533060 0.298255 27 114 114 N -3.852000 1.057294 1.286407 27 113 115 N 0.369349 5.522696 -9.216803 27 116 116 N 0.817988 4.705852 -8.593443 27 115 117 N 2.601388 4.573246 5.846643 27 118 118 N 1.851302 5.335756 6.182855 27 117 119 N 6.398808 4.529188 7.526936 27 120 120 N 6.271553 5.109220 6.575905 27 119 121 N -5.465519 -8.587945 2.403334 27 122 122 N -4.611089 -7.884832 2.584089 27 121 123 N -4.179257 3.800631 3.906345 27 124 124 N -4.980547 3.118792 3.518892 27 123 125 N 9.457997 -0.848433 -4.448933 27 126 126 N 8.546910 -0.724225 -5.090481 27 125 127 N -1.529377 -5.771814 -6.580832 27 128 128 N -0.618482 -5.596527 -7.210621 27 127 129 N -8.947931 -4.556629 -7.378471 27 130 130 N -7.947944 -4.957020 -7.689601 27 129 131 N 5.621035 -3.516824 -6.032747 27 132 132 N 6.538299 -3.964883 -5.569110 27 131 133 N -5.661934 -7.391896 -2.372887 27 134 134 N -6.235682 -6.432576 -2.285665 27 133 135 N 3.749867 7.597077 -1.319357 27 136 136 N 3.340729 6.588054 -1.051836 27 135 137 N -9.115510 3.099817 -8.731387 27 138 138 N -8.758295 3.544375 -7.766060 27 137 139 N -1.281058 -1.703584 -3.586863 27 140 140 N -1.678270 -2.329270 -2.745536 27 139 141 N -8.497174 8.285530 4.834728 27 142 142 N -8.231596 9.200302 4.243330 27 141 143 N -8.337615 0.772705 2.541473 27 144 144 N -9.350826 0.944067 2.093000 27 143 145 N -2.740418 -7.348217 8.330076 27 146 146 N -2.332066 -8.343773 8.015104 27 145 147 N -0.378015 1.490989 -1.426256 27 148 148 N -0.266556 0.712599 -2.225489 27 147 149 N 4.943760 0.512514 -4.162001 27 150 150 N 4.630918 1.582359 -4.040962 27 149 151 N -6.290236 -0.832916 5.617169 27 152 152 N -5.871322 -0.403682 4.669880 27 151 153 N 0.265043 8.566519 -6.549971 27 154 154 N 0.009186 9.498647 -7.118094 27 153 155 N 5.990692 1.311301 0.566658 27 156 156 N 6.222554 1.502993 -0.513428 27 155 157 N 7.310670 8.155692 -8.269820 27 158 158 N 8.170187 8.866881 -8.381757 27 157 159 N -5.358226 2.144703 -6.837937 27 160 160 N -5.087959 2.937512 -7.583256 27 159 161 N 3.005860 -5.688716 -8.861142 27 162 162 N 3.467573 -5.110980 -8.018449 27 161 163 N 0.973879 -7.846782 7.646687 27 164 164 N 1.818368 -8.548104 7.418487 27 163 165 N 1.732413 -3.666604 -2.118969 27 166 166 N 2.556411 -2.921184 -2.268851 27 165 167 N 3.354537 -3.530561 6.326714 27 168 168 N 4.128915 -4.317037 6.129528 27 167 169 N -1.684506 -1.621180 -7.515463 27 170 170 N -1.580901 -2.252472 -6.594689 27 169 171 N -1.337067 4.941449 -4.998997 27 172 172 N -1.040322 5.931762 -5.432945 27 171 173 N 6.443879 2.021344 4.133621 27 174 174 N 5.676982 2.831050 4.018149 27 173 175 N -5.799532 -1.245929 -2.866349 27 176 176 N -4.975938 -0.590748 -3.253027 27 175 177 N 2.567443 0.671632 -0.023441 27 178 178 N 2.520570 -0.276613 0.572984 27 177 179 N 6.279394 -6.831418 -8.923438 27 180 180 N 6.723969 -5.802357 -8.901640 27 179 181 N 5.011829 -4.567440 0.722839 27 182 182 N 4.336176 -3.932047 1.352807 27 181 183 N 7.167304 -6.167624 3.474091 27 184 184 N 7.545085 -5.655515 4.397192 27 183 185 N 7.088798 6.112475 2.896942 27 186 186 N 6.441752 6.533078 2.083607 27 185 187 N 4.815820 -1.168628 -8.013138 27 188 188 N 4.226214 -0.455924 -7.379493 27 187 189 N 3.557020 -1.152977 3.501337 27 190 190 N 4.201120 -0.240510 3.403216 27 189 191 N -0.045949 7.194862 -2.173314 27 192 192 N 0.057514 6.193456 -1.679784 27 191 193 N 3.041147 4.651690 1.462406 27 194 194 N 3.029702 3.575655 1.147593 27 193 195 N 0.488727 0.930454 6.092252 27 196 196 N 0.280053 1.938624 6.536251 27 195 197 N -6.474352 -2.310996 0.086359 27 198 198 N -7.037507 -2.086735 1.029575 27 197 199 N 2.896364 7.722297 2.141016 27 200 200 N 3.294800 7.595619 3.181348 27 199 201 N -4.470601 -0.547601 -8.902328 27 202 202 N -5.270193 -1.176133 -8.430426 27 201 203 N -0.593970 4.673599 2.552132 27 204 204 N -0.473610 5.712315 2.147570 27 203 205 N 8.404238 -8.163277 -5.593425 27 206 206 N 8.570567 -7.581129 -4.649746 27 205 207 N -9.203132 3.561873 -3.895336 27 208 208 N -8.800983 4.608412 -3.906331 27 207 209 N 8.945862 0.382749 6.426535 27 210 210 N 8.134386 1.013337 6.874816 27 209 211 N -2.227526 -1.394107 6.246131 27 212 212 N -3.052997 -2.045677 6.634902 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.755806 4.326089 -0.626177 27 2 2 N -6.001950 4.228296 0.197975 27 1 3 N -9.007358 0.496845 -1.392180 27 4 4 N -7.952439 0.875998 -1.370295 27 3 5 N -2.258212 -5.101912 3.272711 27 6 6 N -1.913959 -5.099893 2.205670 27 5 7 N -7.598368 6.814852 -2.671147 27 8 8 N -7.927668 7.502683 -3.493059 27 7 9 N 4.479615 2.864171 -8.907778 27 10 10 N 3.447403 3.206041 -8.634370 27 9 11 N -3.054473 6.045976 5.450001 27 12 12 N -3.181687 6.441310 6.491450 27 11 13 N 4.763191 -5.776483 -1.575115 27 14 14 N 5.414726 -6.337874 -2.294442 27 13 15 N -2.350529 7.937599 -9.076523 27 16 16 N -2.718633 7.585803 -8.077610 27 15 17 N -5.050106 -4.147607 8.944015 27 18 18 N -5.573519 -4.986496 8.415437 27 17 19 N 3.796255 6.529071 -9.014895 27 20 20 N 3.877619 7.610366 -8.729819 27 19 21 N -3.297954 8.370888 -4.362165 27 22 22 N -3.112500 9.330176 -4.912132 27 21 23 N 2.696893 6.846650 -3.942649 27 24 24 N 2.676700 7.873846 -4.391593 27 23 25 N -2.096046 0.953712 -5.584911 27 26 26 N -1.379005 0.092024 -5.605757 27 25 27 N 1.058925 -4.750546 -5.867953 27 28 28 N 1.818390 -5.090481 -6.619449 27 27 29 N -0.656847 1.208247 2.806682 27 30 30 N -0.511154 1.128775 3.915531 27 29 31 N 1.105384 3.137750 -3.750928 27 32 32 N 2.072863 3.234324 -3.192585 27 31 33 N 2.020647 -6.958881 -0.222833 27 34 34 N 1.146174 -7.223712 0.426976 27 33 35 N 7.070307 -0.797594 3.079030 27 36 36 N 7.181233 -1.529980 3.920693 27 35 37 N -4.296824 3.704271 -4.153688 27 38 38 N -4.029441 4.108199 -3.142531 27 37 39 N -0.108605 1.947732 -8.840338 27 40 40 N 0.323331 1.729054 -7.829051 27 39 41 N -5.343575 -8.024656 -7.223701 27 42 42 N -6.077551 -7.317925 -6.755834 27 41 43 N -7.763847 -3.377143 -1.253840 27 44 44 N -7.740694 -2.364449 -0.773211 27 43 45 N 7.864594 -0.146746 -8.533151 27 46 46 N 8.183068 0.922572 -8.643712 27 45 47 N 7.180133 7.228482 -4.067894 27 48 48 N 6.095025 7.313027 -3.798672 27 47 49 N -8.764037 -7.038995 6.604686 27 50 50 N -8.460263 -6.475764 7.525328 27 49 51 N -4.058854 -4.629560 -1.515487 27 52 52 N 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197 199 N 3.625124 8.797817 2.148930 27 200 200 N 3.327569 7.997133 2.875191 27 199 201 N -5.905710 -0.862978 8.299791 27 202 202 N -4.976628 -0.370817 7.910335 27 201 203 N 0.126524 4.910767 3.178836 27 204 204 N 0.733069 5.663865 2.611353 27 203 205 N -8.773169 -6.289903 -4.899237 27 206 206 N -9.181114 -6.912686 -5.737577 27 205 207 N -8.541069 3.031930 -4.090413 27 208 208 N -8.593958 4.145967 -3.975455 27 207 209 N 8.786007 2.621427 5.847443 27 210 210 N 9.485949 1.816847 6.193598 27 209 211 N -1.142085 -0.451291 7.762517 27 212 212 N -1.551905 -0.392161 6.720576 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -8.447407 4.263384 0.361280 27 2 2 N -7.734200 4.293926 -0.503295 27 1 3 N -8.155398 0.922337 -1.591013 27 4 4 N -9.239727 0.710248 -1.781641 27 3 5 N -2.679843 -5.538865 2.862783 27 6 6 N -1.642472 -5.307934 2.505541 27 5 7 N -7.656438 7.181226 -3.553108 27 8 8 N -7.078756 7.264959 -4.510376 27 7 9 N 5.908513 3.994624 -8.680902 27 10 10 N 4.794651 3.873592 -8.639060 27 9 11 N -2.556415 6.193453 6.349318 27 12 12 N -3.224971 6.923154 5.822385 27 11 13 N 5.810871 -6.023412 -1.550831 27 14 14 N 6.478926 -5.680584 -0.718208 27 13 15 N -2.393470 7.836337 -8.798542 27 16 16 N -2.597354 7.148090 -7.937243 27 15 17 N -6.553528 -5.537135 8.324028 27 18 18 N -6.144567 -5.743411 9.347400 27 17 19 N 4.938563 7.357277 -7.650317 27 20 20 N 4.823774 8.237305 -6.965144 27 19 21 N -3.694586 8.364420 -4.530876 27 22 22 N -2.802032 9.013422 -4.332803 27 21 23 N 3.088262 6.275836 -4.172453 27 24 24 N 2.953691 7.192063 -3.540386 27 23 25 N -2.175265 0.125249 -7.153810 27 26 26 N -2.395541 0.816155 -6.298698 27 25 27 N 1.877102 -5.429728 -6.800290 27 28 28 N 1.863213 -4.874945 -5.826067 27 27 29 N -0.405950 0.894416 2.767234 27 30 30 N -0.400496 0.368920 3.757644 27 29 31 N 2.872683 2.109490 -5.104915 27 32 32 N 2.699281 2.080739 -3.997578 27 31 33 N 0.497172 -6.789945 0.640590 27 34 34 N 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-1.832867 -4.851731 27 60 60 N 1.860803 -0.889144 -5.110133 27 59 61 N -2.265202 -9.512292 -0.509138 27 62 62 N -2.413314 -8.401032 -0.493163 27 61 63 N -8.321353 3.921024 4.102924 27 64 64 N -7.516102 4.600214 3.719046 27 63 65 N 6.279360 -2.624482 8.563391 27 66 66 N 7.107141 -3.268482 8.959792 27 65 67 N -0.340235 -7.192408 -4.063853 27 68 68 N -0.772443 -6.216993 -3.719103 27 67 69 N -4.481099 6.370057 3.054904 27 70 70 N -4.444721 6.511733 1.943286 27 69 71 N -0.532206 -2.997414 4.772141 27 72 72 N 0.437390 -2.549773 4.430684 27 71 73 N 2.164754 -1.439316 -8.735981 27 74 74 N 2.779601 -2.200300 -9.283663 27 73 75 N -4.378718 6.452340 -1.564233 27 76 76 N -4.664840 5.418781 -1.891309 27 75 77 N 6.620879 -1.834742 -0.461159 27 78 78 N 7.214870 -2.352280 -1.258917 27 77 79 N 3.853640 -7.848937 6.889786 27 80 80 N 3.731878 -8.934120 7.144032 27 79 81 N -0.223154 -2.086804 1.328418 27 82 82 N -1.144114 -2.081528 0.688968 27 81 83 N -1.310170 8.930972 3.366953 27 84 84 N -0.745016 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9.065504 6.802498 -7.456846 27 158 158 N 8.825625 7.652949 -8.146976 27 157 159 N -2.973901 3.713371 -9.147444 27 160 160 N -1.987492 3.450665 -8.683683 27 159 161 N 1.187738 -5.148315 8.299249 27 162 162 N 2.276357 -5.281043 8.066054 27 161 163 N -0.218669 -8.786150 7.194950 27 164 164 N 0.469544 -8.439532 8.009388 27 163 165 N 1.274413 -4.025374 -2.779737 27 166 166 N 0.761626 -3.672725 -1.847120 27 165 167 N 3.564386 -2.938122 5.954394 27 168 168 N 4.122352 -3.134418 5.001908 27 167 169 N -3.082981 -2.711926 -9.095999 27 170 170 N -3.856236 -2.374804 -8.357410 27 169 171 N -1.337040 3.486843 -4.874903 27 172 172 N -0.332320 3.889967 -5.166654 27 171 173 N 7.001544 3.225916 5.948957 27 174 174 N 6.439625 4.059777 5.452964 27 173 175 N -6.196986 -0.772423 -5.111692 27 176 176 N -5.399234 -0.554098 -5.868671 27 175 177 N 3.307330 -0.030207 -0.628706 27 178 178 N 2.936132 -0.876688 -1.263350 27 177 179 N 5.452399 -5.961005 -7.422873 27 180 180 N 5.506855 -6.774580 -8.192432 27 179 181 N 2.425282 -4.265997 2.030531 27 182 182 N 3.236999 -3.533942 1.780927 27 181 183 N 7.493289 -7.096600 3.958167 27 184 184 N 7.589212 -6.083566 3.487369 27 183 185 N 7.208341 6.888172 3.845495 27 186 186 N 6.590380 6.613892 2.951077 27 185 187 N 4.555485 -0.127908 -7.095762 27 188 188 N 5.113342 -1.053300 -6.796539 27 187 189 N 4.172477 -0.455059 2.846441 27 190 190 N 3.797258 0.329205 3.554418 27 189 191 N -0.689375 6.468487 -2.221024 27 192 192 N -0.491173 6.891011 -3.240474 27 191 193 N 3.157091 3.879863 1.102560 27 194 194 N 2.472102 3.024411 0.865747 27 193 195 N 3.826477 2.701140 6.428731 27 196 196 N 2.878715 3.142347 6.023551 27 195 197 N -6.065633 -2.825869 1.770425 27 198 198 N -5.060375 -2.619382 2.221990 27 197 199 N 4.295957 -8.517257 3.741812 27 200 200 N 4.365624 -8.126034 2.693394 27 199 201 N -6.680056 0.427146 -9.255750 27 202 202 N -5.933624 -0.292535 -8.829149 27 201 203 N -0.403104 4.786026 1.694861 27 204 204 N -1.469471 5.095320 1.850705 27 203 205 N -9.139634 -5.767889 -4.341517 27 206 206 N -8.736091 -4.724350 -4.414117 27 205 207 N -8.622188 4.316190 -3.990910 27 208 208 N -8.483287 4.253640 -5.101713 27 207 209 N -8.665507 1.148036 6.048730 27 210 210 N -9.384661 0.318253 5.822090 27 209 211 N -0.314496 0.063567 7.591627 27 212 212 N -0.977011 -0.754902 7.206567 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -8.002472 3.416995 0.062618 27 2 2 N -8.367345 4.355610 -0.430289 27 1 3 N -7.954862 0.155179 -1.913263 27 4 4 N -7.734171 1.193175 -2.275131 27 3 5 N -3.297594 -5.804408 2.652242 27 6 6 N -3.408272 -5.571845 1.561025 27 5 7 N -8.235716 8.784627 -4.561547 27 8 8 N -8.766617 7.955336 -4.025348 27 7 9 N 5.784279 3.338611 -8.605960 27 10 10 N 5.325393 2.770054 -9.456404 27 9 11 N -1.178387 7.046429 7.017395 27 12 12 N -1.807676 6.528555 7.787389 27 11 13 N 6.665541 -5.019774 0.230818 27 14 14 N 7.572780 -5.476781 -0.243685 27 13 15 N -1.860411 6.419478 -6.832413 27 16 16 N -1.884307 7.535398 -6.726384 27 15 17 N -7.208525 -6.536158 9.241213 27 18 18 N -7.325866 -5.659953 8.551586 27 17 19 N 4.616731 7.135063 -7.053671 27 20 20 N 5.026855 7.489532 -8.035118 27 19 21 N -4.785843 -9.296261 -3.541374 27 22 22 N -3.856934 -8.921348 -4.045018 27 21 23 N 3.415132 6.682787 -2.750692 27 24 24 N 2.453801 6.233206 -3.112369 27 23 25 N -1.412520 -0.372505 -8.556877 27 26 26 N -1.860607 -0.314687 -7.530737 27 25 27 N 1.882234 -5.891624 -6.024609 27 28 28 N 2.125689 -4.805183 -6.156760 27 27 29 N 0.712773 1.779930 2.048479 27 30 30 N -0.001087 1.477672 2.858499 27 29 31 N 1.613026 2.061526 -3.127852 27 32 32 N 2.308824 2.674186 -2.497295 27 31 33 N -0.104656 -5.362958 0.438635 27 34 34 N 0.826101 -5.822317 0.014643 27 33 35 N 7.352593 -2.259916 3.962422 27 36 36 N 8.147236 -3.028032 4.151179 27 35 37 N -4.344373 2.470975 -2.788725 27 38 38 N -4.548964 2.755948 -3.853630 27 37 39 N 2.658539 3.581357 -7.733554 27 40 40 N 1.838026 3.606483 -6.969867 27 39 41 N -5.005725 8.562397 -8.069293 27 42 42 N -5.242061 8.079487 -7.085407 27 41 43 N -6.656064 -3.154470 -2.391614 27 44 44 N -6.135208 -3.995814 -2.918814 27 43 45 N -9.195884 1.517951 -5.850107 27 46 46 N -8.170230 1.327015 -6.260797 27 45 47 N 6.327508 7.924987 -4.232182 27 48 48 N 6.496887 7.177091 -3.414226 27 47 49 N 7.726504 -6.669381 7.155685 27 50 50 N 8.291942 -7.628279 7.289403 27 49 51 N -2.716106 -3.494652 -1.316333 27 52 52 N -2.990055 -4.549395 -1.580074 27 51 53 N 8.684614 -8.381436 -1.321670 27 54 54 N 7.656780 -8.455896 -1.763373 27 53 55 N 4.890432 -0.104959 6.455000 27 56 56 N 5.423086 -0.578374 7.320591 27 55 57 N -4.387149 2.281327 5.518184 27 58 58 N -3.490504 2.904590 5.772465 27 57 59 N 1.388537 -0.731657 -5.684815 27 60 60 N 1.531663 -1.470195 -4.853450 27 59 61 N -3.356532 -9.017008 -0.657758 27 62 62 N -2.384111 -8.668750 -0.221634 27 61 63 N -9.182307 4.038234 3.041059 27 64 64 N -8.289410 4.711090 3.125258 27 63 65 N 6.864404 -3.345090 7.525702 27 66 66 N 5.919411 -3.783778 7.939987 27 65 67 N -0.534684 -8.125942 -3.059559 27 68 68 N -0.336813 -7.023845 -3.117171 27 67 69 N -4.715475 5.907668 3.252271 27 70 70 N -4.807980 4.957421 2.664425 27 69 71 N -0.352347 -3.119440 3.750327 27 72 72 N 0.092111 -2.781791 4.722716 27 71 73 N 2.958755 -1.555631 -8.537852 27 74 74 N 2.313297 -1.222445 -9.391938 27 73 75 N -4.662230 6.001798 -1.382484 27 76 76 N -5.221728 6.103343 -0.416182 27 75 77 N 7.102771 -1.924284 -0.705431 27 78 78 N 7.155269 -1.428740 0.298944 27 77 79 N 4.795892 -8.359461 4.785736 27 80 80 N 4.514106 -8.473598 5.864930 27 79 81 N -0.870756 -0.736703 0.247886 27 82 82 N -0.974903 -1.637202 0.907695 27 81 83 N -2.317333 -8.623208 4.190435 27 84 84 N -1.701070 -9.116427 3.394167 27 83 85 N 4.360768 -8.141297 -2.699256 27 86 86 N 3.820942 -7.426544 -3.373648 27 85 87 N -1.402199 4.632018 3.669604 27 88 88 N -0.607426 4.249023 4.361514 27 87 89 N -6.139258 -6.668071 -5.135426 27 90 90 N -5.584470 -5.812641 -5.601839 27 89 91 N -8.377942 -3.152068 1.141142 27 92 92 N -7.694687 -3.976503 0.808638 27 91 93 N -2.612691 -5.343770 6.855768 27 94 94 N -1.609391 -5.821754 6.707408 27 93 95 N -5.346596 4.589032 -7.819975 27 96 96 N -4.664205 4.396232 -6.951493 27 95 97 N 6.773980 3.921464 -5.600424 27 98 98 N 6.966751 5.022706 -5.685253 27 97 99 N -3.498609 -1.296112 7.284411 27 100 100 N -3.268216 -2.369569 7.511789 27 99 101 N -7.456875 8.194475 0.733800 27 102 102 N -8.065380 7.385347 1.215591 27 101 103 N -5.966466 6.482156 7.452113 27 104 104 N -5.557923 5.848818 6.622014 27 103 105 N -1.149599 3.122372 -0.205553 27 106 106 N -2.190177 3.528956 -0.110811 27 105 107 N 1.910195 -7.348100 4.203234 27 108 108 N 0.827534 -7.294227 3.916821 27 107 109 N 6.081856 6.858438 0.461772 27 110 110 N 6.782965 6.259977 -0.176490 27 109 111 N -7.000088 -4.773856 4.142919 27 112 112 N -7.134382 -5.333930 5.104882 27 111 113 N -4.448710 -0.536090 -0.198107 27 114 114 N -4.746125 -0.871038 -1.225942 27 113 115 N 1.904758 6.247257 8.970725 27 116 116 N 2.341814 6.381845 7.947028 27 115 117 N 2.021866 7.773536 4.202472 27 118 118 N 0.989475 7.370126 4.371340 27 117 119 N 6.573622 7.321732 6.908335 27 120 120 N 6.342149 6.225168 6.940866 27 119 121 N -5.693986 -8.576289 3.655805 27 122 122 N -5.174824 -8.800655 2.687703 27 121 123 N -3.662164 1.349791 2.443519 27 124 124 N -4.754853 1.179326 2.258957 27 123 125 N 8.220959 -1.576260 -4.077155 27 126 126 N 7.269003 -2.115348 -4.322620 27 125 127 N -2.844312 -6.471274 -8.040977 27 128 128 N -2.798412 -7.070400 -7.094388 27 127 129 N -9.469980 -3.140610 -6.823855 27 130 130 N -8.687933 -3.807155 -7.272420 27 129 131 N 5.190219 -4.443314 -3.716276 27 132 132 N 4.311918 -3.816671 -3.411324 27 131 133 N -6.622245 -7.065956 -0.001468 27 134 134 N -6.430668 -6.778829 -1.068213 27 133 135 N 1.042606 -8.795725 0.493146 27 136 136 N 1.798176 -9.024445 -0.303028 27 135 137 N -8.738593 3.833755 7.651963 27 138 138 N -8.410603 3.140365 8.469718 27 137 139 N -2.376946 -4.315593 -4.787904 27 140 140 N -1.811016 -3.826127 -5.622912 27 139 141 N -8.843634 8.259413 5.455052 27 142 142 N -8.016415 7.534197 5.238579 27 141 143 N 8.967285 0.905918 1.390440 27 144 144 N 8.951505 0.631420 2.477404 27 143 145 N -4.851526 -8.793670 6.667047 27 146 146 N -4.389479 -7.920274 7.196934 27 145 147 N -1.880153 -0.522869 -3.752083 27 148 148 N -1.659505 0.260781 -2.981177 27 147 149 N 7.354536 2.010478 -2.409008 27 150 150 N 6.895036 2.298972 -1.427825 27 149 151 N -7.048902 -1.737312 7.380962 27 152 152 N -6.604676 -2.728732 7.103766 27 151 153 N 1.765386 8.980595 -6.867884 27 154 154 N 1.531617 8.680358 -5.813228 27 153 155 N 5.412969 2.554204 1.418501 27 156 156 N 6.327014 3.138899 1.700893 27 155 157 N 8.603047 6.552102 -8.293360 27 158 158 N 9.124199 7.527628 -8.477310 27 157 159 N -0.718131 3.521898 8.498510 27 160 160 N -1.524676 3.333464 9.254201 27 159 161 N 1.527010 -5.091164 7.862657 27 162 162 N 1.964243 -5.210361 6.837129 27 161 163 N 0.953465 -8.316820 7.292301 27 164 164 N 0.427561 -8.326057 8.282467 27 163 165 N 0.224279 -3.387740 -2.590902 27 166 166 N 1.055723 -4.081392 -2.881822 27 165 167 N 5.192478 -4.818203 4.955121 27 168 168 N 4.355496 -4.432215 4.316716 27 167 169 N -4.482458 -3.488080 -7.432232 27 170 170 N -5.164141 -3.493239 -8.322384 27 169 171 N -0.736916 2.719810 -5.543555 27 172 172 N -1.006597 3.570358 -4.864639 27 171 173 N 6.540370 2.730472 5.511560 27 174 174 N 6.203323 3.509089 4.778592 27 173 175 N -5.065495 -0.963498 -4.282972 27 176 176 N -5.882786 -1.208014 -5.010528 27 175 177 N 2.532459 -0.745086 -1.421188 27 178 178 N 3.606120 -0.422312 -1.408564 27 177 179 N 5.350167 -6.912498 -7.374912 27 180 180 N 4.407699 -6.623734 -7.909196 27 179 181 N 2.672697 -3.357995 0.930404 27 182 182 N 3.788891 -3.282524 1.004613 27 181 183 N 8.391874 -6.635950 3.425867 27 184 184 N 9.030334 -7.453245 2.999855 27 183 185 N 6.727285 7.244909 3.606476 27 186 186 N 5.640263 6.994351 3.493817 27 185 187 N 5.325605 0.254885 -7.028543 27 188 188 N 6.240155 -0.254874 -7.429584 27 187 189 N 3.714217 0.204118 2.484932 27 190 190 N 3.516017 -0.785350 2.973561 27 189 191 N -1.750639 6.242236 -2.485887 27 192 192 N -1.401248 7.028232 -3.205072 27 191 193 N 2.361831 5.489484 0.456715 27 194 194 N 2.268019 4.729828 1.275990 27 193 195 N 2.692458 3.152046 4.640861 27 196 196 N 2.732437 3.700801 5.617773 27 195 197 N -3.952416 -1.987742 3.841028 27 198 198 N -4.180098 -2.631745 2.951920 27 197 199 N 4.739559 -7.644321 1.334460 27 200 200 N 3.915727 -6.887098 1.405199 27 199 201 N -5.530233 1.207911 -8.545566 27 202 202 N -5.280080 0.117224 -8.475464 27 201 203 N -1.095916 6.648147 1.428340 27 204 204 N -2.086693 6.578859 0.908098 27 203 205 N -9.033656 -5.061849 -4.192401 27 206 206 N -9.169071 -5.519599 -3.177897 27 205 207 N -7.244448 4.748693 -3.967503 27 208 208 N -7.818153 3.907474 -4.436866 27 207 209 N -7.173585 0.283030 4.690502 27 210 210 N -7.458776 1.073199 5.433057 27 209 211 N 0.834127 0.878737 6.453298 27 212 212 N 0.100953 0.040667 6.322209 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -8.777838 4.286352 -1.254578 27 2 2 N -8.745803 3.591183 -0.375487 27 1 3 N -8.170547 -0.194576 -2.000573 27 4 4 N -8.079211 0.718256 -2.645153 27 3 5 N -3.283421 -5.514883 1.752749 27 6 6 N -3.952479 -4.774496 2.263903 27 5 7 N -8.378969 -8.433453 -6.358203 27 8 8 N -9.446219 -8.527519 -6.027722 27 7 9 N 3.859173 2.443056 9.551088 27 10 10 N 3.628996 2.570700 8.461219 27 9 11 N -2.858237 6.749139 8.489155 27 12 12 N -1.989273 7.100175 7.873717 27 11 13 N 6.999290 -5.468805 -0.193716 27 14 14 N 7.506607 -5.184625 0.764909 27 13 15 N -0.816251 6.535593 -6.656557 27 16 16 N -1.519769 7.408414 -6.638239 27 15 17 N -7.617928 -6.297009 9.517613 27 18 18 N -7.054431 -5.720376 8.738476 27 17 19 N 4.954631 7.192910 -7.912484 27 20 20 N 5.069011 6.190201 -8.400931 27 19 21 N -4.381725 8.025963 -3.837545 27 22 22 N -3.724337 7.214793 -4.246119 27 21 23 N 1.963760 7.462730 -3.322152 27 24 24 N 1.485667 7.343181 -4.329240 27 23 25 N -0.865720 -0.381136 -7.100294 27 26 26 N -1.316891 -1.377639 -7.346292 27 25 27 N 2.952522 -3.737844 -6.447496 27 28 28 N 2.486565 -4.757635 -6.447263 27 27 29 N 1.273343 1.912677 0.994331 27 30 30 N 0.396660 1.768214 1.678177 27 29 31 N 1.465938 2.732743 -2.486301 27 32 32 N 1.607546 3.762119 -2.065089 27 31 33 N 0.397452 -5.397693 1.457287 27 34 34 N -0.242747 -5.554171 0.550231 27 33 35 N 7.924019 -1.977315 4.972937 27 36 36 N 8.601188 -2.579205 4.312437 27 35 37 N -5.278032 3.068528 -3.879875 27 38 38 N -4.596481 3.753947 -3.311739 27 37 39 N 3.747341 4.110054 -5.035984 27 40 40 N 4.675066 3.867754 -5.617110 27 39 41 N -5.978978 8.707976 -8.334683 27 42 42 N -5.228445 8.222229 -7.658045 27 41 43 N -6.500132 -3.908790 -3.887291 27 44 44 N -7.287650 -4.230207 -3.156813 27 43 45 N -7.928399 1.224110 -6.516123 27 46 46 N -7.626128 0.333485 -7.126459 27 45 47 N 6.025660 8.211616 -4.999036 27 48 48 N 5.134210 8.177946 -4.319867 27 47 49 N 8.577124 -6.934094 5.913942 27 50 50 N 8.364710 -6.194064 6.729003 27 49 51 N -3.496192 -3.599169 -1.476185 27 52 52 N -3.924881 -4.270100 -2.265594 27 51 53 N 7.174562 -8.354601 -2.062486 27 54 54 N 7.157894 -8.963544 -1.121210 27 53 55 N 5.466126 -0.209232 7.788855 27 56 56 N 4.927098 -0.850058 7.043281 27 55 57 N -3.911794 3.313321 6.821537 27 58 58 N -2.900063 3.028826 7.212116 27 57 59 N 2.378724 -0.537231 -5.302147 27 60 60 N 2.778959 0.169695 -4.529387 27 59 61 N -3.476318 -7.831941 -0.346787 27 62 62 N -4.243959 -8.520222 0.093767 27 61 63 N -7.442144 4.502640 3.617404 27 64 64 N -8.141729 4.319698 2.760548 27 63 65 N 5.199487 -3.546312 -8.708079 27 66 66 N 5.814687 -4.265084 -8.106425 27 65 67 N -1.413384 -8.321774 -3.806850 27 68 68 N -1.929374 -7.328566 -3.873058 27 67 69 N -4.738124 6.427801 3.998047 27 70 70 N -5.004476 6.419129 5.087116 27 69 71 N -0.318012 -2.822779 4.185759 27 72 72 N 0.558537 -2.237614 4.568295 27 71 73 N 2.755111 -0.564802 -8.788341 27 74 74 N 2.079964 -1.458691 -8.835552 27 73 75 N -5.613851 6.223698 -0.217154 27 76 76 N -4.776601 6.204010 0.528308 27 75 77 N 6.762055 -1.626605 0.251783 27 78 78 N 6.728856 -0.950544 1.145611 27 77 79 N 4.326954 -8.058456 6.124594 27 80 80 N 5.184272 -8.763355 5.965814 27 79 81 N -0.815301 -2.236287 0.851063 27 82 82 N -0.629057 -2.282483 -0.253595 27 81 83 N -2.317509 -9.389163 4.339914 27 84 84 N -1.922631 -8.401794 3.984578 27 83 85 N 2.373772 -7.630752 -2.490931 27 86 86 N 3.457021 -7.383359 -2.341081 27 85 87 N -0.992971 4.693681 5.710289 27 88 88 N -0.217883 3.992187 5.305029 27 87 89 N -5.640818 -6.418787 -6.142817 27 90 90 N -4.947930 -6.842730 -5.369986 27 89 91 N -6.667353 -2.957188 1.534095 27 92 92 N -7.153280 -3.730624 2.184294 27 91 93 N -2.390933 -5.065370 5.257018 27 94 94 N -3.010344 -5.818065 5.810976 27 93 95 N -4.203762 4.618955 -7.471104 27 96 96 N -4.259080 3.755715 -8.184438 27 95 97 N 8.029348 4.093588 -7.127731 27 98 98 N 7.817760 4.530838 -6.117220 27 97 99 N -0.526772 -3.227762 7.764265 27 100 100 N -1.595120 -2.889142 7.731718 27 99 101 N -8.127097 7.802549 1.453682 27 102 102 N -8.855045 7.322353 0.748989 27 101 103 N -6.415081 5.000010 7.971054 27 104 104 N -7.448079 4.947627 7.538319 27 103 105 N -1.606798 2.531682 -0.668368 27 106 106 N -2.549313 3.113144 -0.843455 27 105 107 N 2.277099 -5.634555 4.575158 27 108 108 N 1.181116 -5.861927 4.510257 27 107 109 N 4.455993 5.043752 -1.554928 27 110 110 N 5.247808 5.749850 -1.917616 27 109 111 N -7.204015 -4.791845 5.445603 27 112 112 N -6.105934 -4.588428 5.345970 27 111 113 N -4.787726 0.110715 -1.037265 27 114 114 N -4.225663 0.305301 -0.086837 27 113 115 N 2.484653 5.453295 7.580812 27 116 116 N 3.286295 6.111904 7.155734 27 115 117 N 1.787548 7.826073 3.980849 27 118 118 N 1.053000 6.979031 3.973921 27 117 119 N 7.469169 5.290327 6.052368 27 120 120 N 7.223494 4.451094 6.754096 27 119 121 N -5.398574 -7.904356 2.954335 27 122 122 N -5.791083 -8.734438 3.597756 27 121 123 N -3.943745 2.456299 2.484571 27 124 124 N -4.512013 3.377898 2.775805 27 123 125 N 8.066709 -2.351706 -3.448545 27 126 126 N 7.799487 -1.808733 -4.392401 27 125 127 N -1.604765 -7.329161 -7.717008 27 128 128 N -2.683423 -7.616626 -7.821644 27 127 129 N -8.680436 -2.785322 -6.862016 27 130 130 N -9.496291 -2.562948 -7.598235 27 129 131 N 4.644339 -2.394017 -3.479335 27 132 132 N 4.416932 -3.251442 -2.793625 27 131 133 N -8.077329 -6.974790 0.159510 27 134 134 N -7.220269 -6.329101 -0.165489 27 133 135 N 0.769982 -9.569917 0.357065 27 136 136 N 0.145993 -8.664047 0.139974 27 135 137 N 9.085607 2.101262 8.581556 27 138 138 N 7.972769 1.997136 8.670092 27 137 139 N -1.722338 -4.280595 -5.651174 27 140 140 N -2.590185 -3.772991 -5.154918 27 139 141 N -8.534266 7.810292 5.174698 27 142 142 N -8.484726 8.215509 6.218936 27 141 143 N -7.416363 0.465175 1.527291 27 144 144 N -8.344609 -0.146291 1.674118 27 143 145 N -4.951334 -8.210359 6.933722 27 146 146 N -6.066633 -8.097477 6.912353 27 145 147 N -0.749167 -0.370655 -3.534779 27 148 148 N -1.738990 -0.210012 -3.033248 27 147 149 N 6.224825 2.185215 -3.077684 27 150 150 N 6.424297 1.177243 -3.526341 27 149 151 N -7.852074 -1.931527 7.348970 27 152 152 N -8.079571 -0.928914 7.796295 27 151 153 N 2.322492 -8.450484 -6.892362 27 154 154 N 2.502077 -7.903061 -5.930506 27 153 155 N 4.506936 2.865924 1.262207 27 156 156 N 5.520752 2.594654 0.867644 27 155 157 N 9.458416 7.198799 -9.006975 27 158 158 N 8.432246 7.649110 -9.042784 27 157 159 N 0.594916 3.000193 -8.337396 27 160 160 N -0.184604 3.607853 -8.866723 27 159 161 N 2.334711 -5.652656 8.763445 27 162 162 N 1.755326 -5.817036 7.817728 27 161 163 N 0.343227 -9.201631 6.899685 27 164 164 N -0.307181 -8.289152 6.937665 27 163 165 N 0.240174 -4.471255 -2.782299 27 166 166 N 1.109775 -3.946832 -3.257550 27 165 167 N 5.310033 -4.530866 3.459070 27 168 168 N 5.655204 -5.063977 4.383050 27 167 169 N -3.845931 -4.530155 -8.479941 27 170 170 N -4.039920 -3.453116 -8.236132 27 169 171 N -1.934937 3.121808 -5.550198 27 172 172 N -1.084833 2.910012 -4.850516 27 171 173 N 7.202081 1.335483 4.712825 27 174 174 N 6.652674 2.126034 4.138135 27 173 175 N -4.204208 -0.679769 -5.013861 27 176 176 N -5.204355 -0.217504 -4.806242 27 175 177 N 3.280448 -0.200855 -0.718459 27 178 178 N 3.662404 0.694448 -1.274904 27 177 179 N 5.784049 -7.626423 -7.334787 27 180 180 N 5.354713 -7.761487 -8.361684 27 179 181 N 3.623668 -3.962825 0.500994 27 182 182 N 2.667535 -3.378620 0.460903 27 181 183 N 6.936716 -8.241816 2.960091 27 184 184 N 7.946329 -8.709729 3.097312 27 183 185 N 7.054802 6.480976 2.336116 27 186 186 N 6.373601 5.666306 1.976442 27 185 187 N 6.054377 0.159031 -6.813312 27 188 188 N 5.982771 -0.873837 -7.243596 27 187 189 N 4.582644 -0.775509 3.451903 27 190 190 N 4.239879 -1.842406 3.415400 27 189 191 N -1.605606 6.192516 -1.875959 27 192 192 N -1.014705 5.443904 -2.465454 27 191 193 N 1.742091 5.435643 1.074553 27 194 194 N 2.656699 6.063720 1.236111 27 193 195 N 3.477404 3.180583 5.290277 27 196 196 N 2.817577 3.348001 4.399386 27 195 197 N -3.141136 -0.571611 4.635016 27 198 198 N -4.009767 -1.244989 4.413349 27 197 199 N 3.364776 -7.651227 1.609091 27 200 200 N 4.335563 -7.310928 1.163156 27 199 201 N -4.482618 0.031299 -9.271938 27 202 202 N -3.825208 0.403588 -8.443504 27 201 203 N -1.499584 6.272113 1.536214 27 204 204 N -1.684034 5.271704 2.007647 27 203 205 N 7.360378 -5.785539 -5.229741 27 206 206 N 6.460477 -5.137577 -5.064174 27 205 207 N -7.341047 6.036770 -4.331057 27 208 208 N -7.570616 7.122142 -4.493396 27 207 209 N -6.238602 1.382404 5.066892 27 210 210 N -7.308819 1.496846 5.380944 27 209 211 N 1.322137 0.683685 7.074796 27 212 212 N 0.763096 0.441901 6.133465 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -8.481730 4.364457 -0.127548 27 2 2 N -8.730089 4.786313 -1.136232 27 1 3 N -8.958372 1.481343 -2.384310 27 4 4 N -9.192028 1.782065 -3.438853 27 3 5 N -4.314025 -3.955733 2.355039 27 6 6 N -3.371628 -4.215934 1.806157 27 5 7 N -8.319294 -7.783876 -5.704297 27 8 8 N -9.026908 -6.988750 -5.351953 27 7 9 N 3.224702 1.984618 8.161702 27 10 10 N 2.707505 2.973792 8.056189 27 9 11 N -4.200740 6.841894 8.027890 27 12 12 N -3.198343 6.833932 8.530109 27 11 13 N 7.057033 -5.139127 -0.921230 27 14 14 N 7.454454 -4.183879 -0.489203 27 13 15 N -1.384119 6.896726 -6.899440 27 16 16 N -0.293269 6.885537 -7.158304 27 15 17 N -7.828226 -6.352548 -9.206291 27 18 18 N -7.045008 -6.637248 -8.456220 27 17 19 N 5.580976 6.284025 -8.750231 27 20 20 N 4.985289 5.358834 -8.965329 27 19 21 N -4.801868 6.865608 -4.552938 27 22 22 N -5.369244 7.341565 -3.711131 27 21 23 N 3.209929 7.619780 -2.753910 27 24 24 N 2.105328 7.427563 -2.754036 27 23 25 N -1.000807 -0.017306 -7.030229 27 26 26 N -0.739615 0.017559 -8.120023 27 25 27 N 0.766592 -3.724239 -6.131932 27 28 28 N 1.163921 -4.763994 -6.266571 27 27 29 N 0.413632 2.707730 3.457812 27 30 30 N -0.032257 1.681189 3.524779 27 29 31 N 1.448212 3.660167 -0.707504 27 32 32 N 1.957332 3.900547 -1.677093 27 31 33 N 0.269077 -6.070125 2.179655 27 34 34 N -0.079251 -6.271018 1.133041 27 33 35 N -8.734801 -3.503727 3.822473 27 36 36 N -8.794144 -2.392959 3.963044 27 35 37 N -5.222103 3.318371 -2.815072 27 38 38 N -5.860047 2.407152 -2.674368 27 37 39 N 3.514612 4.378134 -5.818349 27 40 40 N 3.694655 5.004868 -4.906275 27 39 41 N -6.386170 8.211831 -8.289891 27 42 42 N -6.179702 8.084072 -7.195296 27 41 43 N -7.609030 -4.566352 -2.800659 27 44 44 N -7.682680 -3.867863 -3.674603 27 43 45 N -7.653986 1.280513 -7.497785 27 46 46 N -7.703111 1.278863 -6.377662 27 45 47 N 5.967812 7.709230 -5.270529 27 48 48 N 6.482551 8.329253 -6.050082 27 47 49 N -8.207719 -6.226997 5.630119 27 50 50 N -9.249655 -6.618134 5.494209 27 49 51 N -3.822946 -5.217605 -2.011175 27 52 52 N -3.496001 -5.745321 -1.077520 27 51 53 N 6.820914 -8.442974 -2.051277 27 54 54 N 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-8.199493 -7.505466 27 127 129 N 8.966181 -3.757075 -6.962223 27 130 130 N 8.336567 -3.739358 -6.034666 27 129 131 N 3.791592 -2.965857 -3.291581 27 132 132 N 4.396680 -3.049818 -2.351417 27 131 133 N -7.603145 -7.948501 -2.098737 27 134 134 N -6.649877 -7.980245 -1.509363 27 133 135 N 0.568733 8.367851 0.086062 27 136 136 N 1.161448 9.261004 0.414781 27 135 137 N 6.591112 2.338062 8.450081 27 138 138 N 7.689682 2.211440 8.635017 27 137 139 N -2.604741 -4.153747 -5.221007 27 140 140 N -2.778527 -3.620265 -6.191721 27 139 141 N -8.047893 8.276350 5.127388 27 142 142 N -7.199178 8.772513 4.588320 27 141 143 N -6.739288 1.029491 1.898091 27 144 144 N -7.357970 0.095047 1.864408 27 143 145 N -4.589986 -8.027315 5.778493 27 146 146 N -5.174063 -7.274857 6.369891 27 145 147 N -1.897177 -0.189575 -2.938633 27 148 148 N -2.667144 -0.966799 -2.693351 27 147 149 N 5.493110 1.985395 -3.428170 27 150 150 N 5.089167 1.462980 -2.522079 27 149 151 N -9.600242 -0.856511 8.290942 27 152 152 N -8.575166 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-1.928648 -5.599935 27 175 177 N 1.273472 0.320324 -1.817645 27 178 178 N 2.011883 0.354754 -0.974642 27 177 179 N 6.993630 -6.597029 -7.436557 27 180 180 N 5.972790 -6.955465 -7.730661 27 179 181 N 3.245143 -4.637839 1.182998 27 182 182 N 3.294612 -3.680998 0.600677 27 181 183 N 7.129712 -6.871964 1.850371 27 184 184 N 8.241223 -6.732605 1.803330 27 183 185 N 6.750544 6.502712 1.811465 27 186 186 N 7.529379 7.221472 1.445557 27 185 187 N 6.517893 -0.269272 -5.729057 27 188 188 N 7.019354 0.284109 -6.565355 27 187 189 N 3.172894 0.056610 3.299194 27 190 190 N 3.968483 -0.437241 2.682558 27 189 191 N -1.906723 5.965400 -2.101936 27 192 192 N -0.882541 5.532147 -1.958997 27 191 193 N 2.986577 6.032094 1.976134 27 194 194 N 3.439400 5.135314 1.478311 27 193 195 N 4.396346 3.088798 4.085000 27 196 196 N 4.719836 3.392645 5.114621 27 195 197 N -3.223691 -1.786505 5.629216 27 198 198 N -2.539510 -2.416690 5.003232 27 197 199 N 4.634172 -9.390121 0.905470 27 200 200 N 4.522234 -8.422587 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-8.525794 27 157 159 N -1.132980 3.634399 -7.519920 27 160 160 N -0.787575 3.674537 -8.585836 27 159 161 N 1.506013 -6.623821 8.038105 27 162 162 N 0.936896 -6.065018 8.826099 27 161 163 N -1.027346 -8.605091 7.040536 27 164 164 N -0.226862 -9.165272 7.590546 27 163 165 N -1.105740 -3.992461 -3.089759 27 166 166 N -1.804794 -4.754453 -2.656423 27 165 167 N 6.692006 -4.165499 2.896265 27 168 168 N 6.213995 -4.967706 3.516795 27 167 169 N -2.777968 -3.944288 9.159487 27 170 170 N -3.193521 -4.790560 8.552669 27 169 171 N 0.707576 3.050600 -3.802816 27 172 172 N 0.651262 2.713199 -4.870560 27 171 173 N 6.798349 1.418126 3.438352 27 174 174 N 6.743129 1.056695 4.498260 27 173 175 N -8.446971 -0.894077 -5.138977 27 176 176 N -7.803270 -0.148124 -5.674041 27 175 177 N 2.199160 0.354341 -1.336388 27 178 178 N 1.979326 1.098269 -0.526862 27 177 179 N 4.980219 -7.181271 -8.866309 27 180 180 N 6.100182 -7.129974 -8.878133 27 179 181 N 2.775464 -3.681962 1.006545 27 182 182 N 1.980664 -3.223113 0.362461 27 181 183 N 8.590749 -8.904513 0.923560 27 184 184 N 8.073931 -7.914904 0.820300 27 183 185 N 6.829497 6.506010 1.608097 27 186 186 N 7.900528 6.264657 1.835541 27 185 187 N 6.630313 -0.319481 -8.473476 27 188 188 N 6.937407 -0.588993 -7.429376 27 187 189 N 3.844177 -0.226749 2.175699 27 190 190 N 4.565325 -0.721337 2.877424 27 189 191 N -0.816653 6.072551 -1.944305 27 192 192 N -0.496305 6.323649 -2.989014 27 191 193 N 4.108640 6.076479 2.592145 27 194 194 N 4.224702 5.026491 2.967837 27 193 195 N 3.685758 1.784740 5.785310 27 196 196 N 4.390509 2.332261 6.464011 27 195 197 N -2.645023 -1.172018 4.265442 27 198 198 N -3.156071 -1.510323 5.204310 27 197 199 N 4.466789 -8.099618 1.181023 27 200 200 N 3.994032 -7.784728 2.147684 27 199 201 N -4.344612 -0.844810 9.369918 27 202 202 N -4.948495 -0.715467 8.434137 27 201 203 N -1.335603 5.938086 2.356746 27 204 204 N -0.251613 6.223357 2.382743 27 203 205 N 4.818221 -5.579286 -4.610231 27 206 206 N 4.347072 -6.596688 -4.609144 27 205 207 N -7.535618 5.133863 -3.712038 27 208 208 N -8.387097 5.375745 -3.023878 27 207 209 N -6.628375 0.895389 5.872777 27 210 210 N -5.576041 1.006987 5.502334 27 209 211 N -0.644636 2.004744 7.358528 27 212 212 N 0.245346 1.355868 7.568244 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N 8.644908 2.990661 -0.360730 27 2 2 N 9.584603 3.272291 0.182175 27 1 3 N 7.294145 1.499531 -3.551841 27 4 4 N 8.146731 1.404321 -4.273729 27 3 5 N -4.370390 -3.590314 2.018146 27 6 6 N -4.267036 -3.192420 0.975032 27 5 7 N -8.555416 -7.883523 -5.531365 27 8 8 N -9.390908 -8.549601 -5.871046 27 7 9 N 2.669936 2.756959 -7.314257 27 10 10 N 2.889746 3.254632 -8.294611 27 9 11 N -4.921186 7.970891 7.783635 27 12 12 N -4.546584 7.761873 8.819528 27 11 13 N 5.951424 -3.716772 -0.873722 27 14 14 N 5.496067 -4.722895 -0.680188 27 13 15 N -3.158774 7.735581 -6.183084 27 16 16 N -2.180543 8.242622 -6.390601 27 15 17 N -6.368385 -4.171903 -8.090176 27 18 18 N -6.107400 -5.259379 -8.010340 27 17 19 N 5.077802 6.912826 -8.118237 27 20 20 N 5.353541 6.554057 -9.144075 27 19 21 N -4.469254 7.594453 -2.310846 27 22 22 N -4.266499 8.573580 -2.818083 27 21 23 N 3.637069 8.449064 -2.967725 27 24 24 N 3.744697 9.030493 -3.920326 27 23 25 N -0.558871 0.023033 -8.037003 27 26 26 N -0.550834 1.104524 -7.741368 27 25 27 N 0.832685 -4.005238 -6.445127 27 28 28 N 0.347742 -3.696394 -7.407693 27 27 29 N 1.315905 2.644406 3.597277 27 30 30 N 1.994223 3.411827 3.141165 27 29 31 N 2.418458 4.551369 -0.358268 27 32 32 N 2.730874 4.195773 -1.374652 27 31 33 N -0.908124 -6.499125 0.458825 27 34 34 N -1.256797 -5.672163 1.130874 27 33 35 N 9.022051 -1.270966 4.367295 27 36 36 N 8.225521 -0.871052 5.047514 27 35 37 N -7.732173 -0.778837 -3.373783 27 38 38 N -7.241526 -0.487640 -2.408610 27 37 39 N 3.401889 5.810406 -5.681065 27 40 40 N 2.503824 5.549288 -5.062690 27 39 41 N -7.086146 6.243166 -6.875829 27 42 42 N -6.977315 7.315097 -6.565653 27 41 43 N -8.042677 -4.395351 -3.560190 27 44 44 N -8.793815 -5.227702 -3.551615 27 43 45 N -6.987422 3.216119 -8.094422 27 46 46 N -7.800249 2.738459 -7.487591 27 45 47 N 7.555985 6.849760 -6.007697 27 48 48 N 7.052745 6.432202 -5.096936 27 47 49 N -6.976432 -5.440767 4.809004 27 50 50 N -6.978374 -4.581653 4.088582 27 49 51 N -3.977806 -6.799248 -1.378835 27 52 52 N -4.863265 -6.539560 -0.741958 27 51 53 N 7.264048 -8.343625 -2.469809 27 54 54 N 6.664279 -8.331127 -1.522598 27 53 55 N 5.355749 -1.860287 6.637196 27 56 56 N 4.708009 -1.295920 5.916771 27 55 57 N -3.594937 3.666898 8.469338 27 58 58 N -3.198374 2.628862 8.618697 27 57 59 N 2.432079 -0.618198 -5.988955 27 60 60 N 1.920272 -0.433512 -5.008631 27 59 61 N -2.944002 8.034704 0.660457 27 62 62 N -3.009525 8.693806 1.565102 27 61 63 N -7.991851 3.191141 3.754075 27 64 64 N -7.131593 3.742069 3.291987 27 63 65 N 7.441191 -4.889939 6.784603 27 66 66 N 8.424949 -4.436061 7.073226 27 65 67 N -1.309364 -8.533015 -3.793998 27 68 68 N -1.700277 -7.651418 -4.365896 27 67 69 N -4.833813 6.276575 4.638851 27 70 70 N -4.036434 6.097967 3.871143 27 69 71 N 1.644832 -0.950884 3.955181 27 72 72 N 0.843343 -1.573727 3.478974 27 71 73 N 4.041257 -4.313996 -9.342398 27 74 74 N 4.856710 -4.365463 -8.574623 27 73 75 N -4.345544 4.033837 0.498461 27 76 76 N -4.849343 3.139959 0.046515 27 75 77 N 8.874485 -0.701364 -0.099036 27 78 78 N 8.269822 -1.052461 0.777436 27 77 79 N 6.012124 -7.953711 4.966650 27 80 80 N 6.489344 -7.715832 5.952938 27 79 81 N -1.182957 -0.424829 1.096305 27 82 82 N -2.240419 -0.791707 1.161611 27 81 83 N -2.277488 -8.984101 4.980498 27 84 84 N -1.756176 -8.095236 4.538636 27 83 85 N 2.091257 -7.007299 -1.973025 27 86 86 N 2.050966 -6.401250 -1.030597 27 85 87 N -0.751898 5.545975 5.711989 27 88 88 N 0.018538 4.968618 6.286601 27 87 89 N -5.347597 -6.681736 -4.504496 27 90 90 N -5.121662 -7.117818 -5.512403 27 89 91 N -8.768601 -4.703302 0.748339 27 92 92 N -7.955995 -3.973298 1.001031 27 91 93 N 0.463820 -4.987683 5.304235 27 94 94 N 0.017939 -4.552273 4.372196 27 93 95 N -4.974158 4.954951 -4.806368 27 96 96 N -3.853444 4.960073 -4.773751 27 95 97 N 6.421752 3.560432 -7.432002 27 98 98 N 7.435599 3.688909 -6.970812 27 97 99 N 1.718606 -1.796948 8.000161 27 100 100 N 1.644745 -2.292429 6.997099 27 99 101 N -6.926343 6.913841 0.981795 27 102 102 N -6.599912 6.570769 -0.034490 27 101 103 N -7.616733 5.515230 7.863816 27 104 104 N -6.819871 4.836406 7.462198 27 103 105 N -0.585658 3.148676 -0.512659 27 106 106 N -1.451340 2.449823 -0.373773 27 105 107 N 3.823321 -4.479132 5.089425 27 108 108 N 4.448206 -5.023690 5.844451 27 107 109 N 6.440481 4.782732 -2.028016 27 110 110 N 6.324137 5.895728 -1.958787 27 109 111 N -5.454198 -2.612399 6.793877 27 112 112 N -5.847110 -3.582620 7.195598 27 111 113 N -4.298476 -2.383028 -2.261365 27 114 114 N -5.166095 -3.081567 -2.389308 27 113 115 N 3.293229 6.045848 6.197648 27 116 116 N 3.452718 4.946391 6.046501 27 115 117 N 1.542714 -8.677360 4.680597 27 118 118 N 2.273221 -8.642055 5.530422 27 117 119 N 6.890658 5.396711 6.057354 27 120 120 N 7.574388 6.130858 6.557986 27 119 121 N -6.068066 -7.631389 1.951994 27 122 122 N -5.232276 -7.404813 2.664180 27 121 123 N -2.737880 2.355982 3.364946 27 124 124 N -2.728002 3.256426 4.032923 27 123 125 N 6.361130 -2.536016 -5.484669 27 126 126 N 7.102026 -1.812895 -5.054253 27 125 127 N -2.286287 -7.021928 -7.606904 27 128 128 N -2.345455 -5.942077 -7.902726 27 127 129 N 8.348131 -5.086250 -7.751296 27 130 130 N 8.648323 -4.446097 -6.881136 27 129 131 N 3.786176 -2.504343 -2.786166 27 132 132 N 2.920303 -3.200604 -2.635916 27 131 133 N -7.875057 -8.516675 -1.346342 27 134 134 N -7.705938 -9.065460 -2.309318 27 133 135 N 1.037462 7.918963 -0.659842 27 136 136 N 1.422155 8.578397 0.161284 27 135 137 N 9.072676 2.283098 6.669421 27 138 138 N 8.359589 2.861387 7.312988 27 137 139 N -3.890604 -3.715096 -5.906408 27 140 140 N -3.167716 -2.858313 -5.885305 27 139 141 N -7.274781 -8.910918 4.914429 27 142 142 N -7.504013 -9.043642 6.003891 27 141 143 N -6.047756 -0.832996 2.335868 27 144 144 N -6.645914 0.113096 2.400731 27 143 145 N -4.314747 -6.820360 6.827146 27 146 146 N -4.438602 -6.849447 7.941105 27 145 147 N -1.836889 -1.010702 -3.813770 27 148 148 N -2.199957 0.020460 -4.062721 27 147 149 N 4.465728 1.908305 -4.794870 27 150 150 N 3.599538 2.080372 -4.104076 27 149 151 N 8.351164 -1.424264 8.405995 27 152 152 N 9.317495 -0.961943 8.075010 27 151 153 N 1.004223 -9.015348 -6.015111 27 154 154 N 1.600023 -8.198950 -6.500505 27 153 155 N 5.453178 2.281228 -0.351209 27 156 156 N 5.757278 1.252737 -0.024376 27 155 157 N 8.031083 9.372846 8.998223 27 158 158 N 8.934646 8.766160 9.267655 27 157 159 N -1.111739 4.841648 -6.658509 27 160 160 N -0.408571 5.003913 -7.516598 27 159 161 N 1.025129 -6.296053 8.150176 27 162 162 N 2.023346 -6.785775 8.005869 27 161 163 N -0.715854 8.005877 8.467225 27 164 164 N -0.032549 8.446909 7.695425 27 163 165 N -1.126235 -4.492506 -2.288136 27 166 166 N -1.793406 -4.294243 -3.167148 27 165 167 N 6.217290 -4.916848 2.703690 27 168 168 N 7.119158 -5.008371 3.363497 27 167 169 N -2.628186 -3.176445 8.177077 27 170 170 N -1.599349 -3.617019 8.243984 27 169 171 N -0.050480 2.230137 -3.832058 27 172 172 N 0.221737 2.471122 -4.892676 27 171 173 N 6.114622 2.349545 3.748666 27 174 174 N 6.240681 1.704565 4.657071 27 173 175 N -7.914248 -1.214802 -6.529376 27 176 176 N -8.806073 -0.544594 -6.641442 27 175 177 N 1.678462 0.257970 -0.262671 27 178 178 N 2.334695 0.521118 0.607502 27 177 179 N 4.569771 -8.534475 8.555262 27 180 180 N 5.094112 -7.543455 8.561299 27 179 181 N 1.306508 -3.669787 1.123496 27 182 182 N 1.395619 -3.032306 0.205472 27 181 183 N 8.384302 -8.147236 2.466771 27 184 184 N 8.724378 -9.176373 2.179868 27 183 185 N 7.195728 6.216249 2.753333 27 186 186 N 7.327379 5.618739 1.813791 27 185 187 N 5.323970 -0.753867 -8.666535 27 188 188 N 5.478620 -0.142850 -7.739264 27 187 189 N 5.466382 -0.904513 2.866807 27 190 190 N 5.356046 -1.862186 2.294287 27 189 191 N -0.204734 5.616296 -3.107813 27 192 192 N -1.166245 6.103436 -3.416490 27 191 193 N 2.780573 6.621015 2.871740 27 194 194 N 3.841819 6.320679 2.670138 27 193 195 N 3.169799 1.619955 6.260439 27 196 196 N 3.273267 1.339117 7.340953 27 195 197 N -3.149751 -1.449089 4.740004 27 198 198 N -2.342954 -2.226355 4.694983 27 197 199 N 4.886693 -8.697286 2.009377 27 200 200 N 4.885722 -7.644867 1.622722 27 199 201 N -5.204282 -1.151933 -8.707851 27 202 202 N -4.945135 -0.391651 -7.925608 27 201 203 N -0.854491 5.854158 1.615607 27 204 204 N -1.079344 4.931831 2.212134 27 203 205 N 4.172180 -5.117700 -5.024936 27 206 206 N 5.072035 -5.335816 -4.392656 27 205 207 N -8.383871 5.981932 -2.852130 27 208 208 N -8.230120 4.898450 -2.608170 27 207 209 N -5.345179 1.073578 6.435683 27 210 210 N -6.020488 1.386113 7.274354 27 209 211 N -0.389253 0.492395 6.070538 27 212 212 N -0.781580 1.425581 6.552547 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -9.358844 3.753048 -0.086087 27 2 2 N -8.453497 4.153839 -0.612207 27 1 3 N 7.604021 1.489141 -2.705320 27 4 4 N 8.500719 1.765113 -3.319211 27 3 5 N -3.363445 -4.733687 1.334448 27 6 6 N -4.370912 -4.243102 1.296681 27 5 7 N -8.114979 -9.014788 -4.961795 27 8 8 N -8.888872 -8.462063 -5.555660 27 7 9 N 1.644841 2.705243 -8.409375 27 10 10 N 0.557031 2.976794 -8.413681 27 9 11 N -3.752573 8.878304 7.021504 27 12 12 N -4.082439 8.248532 7.888489 27 11 13 N 6.757985 -3.508034 -1.370524 27 14 14 N 7.088705 -4.574304 -1.266683 27 13 15 N -3.712681 7.776527 -6.001833 27 16 16 N -2.650629 8.132447 -6.051388 27 15 17 N -5.865238 -4.820337 -9.112091 27 18 18 N -6.097495 -4.829586 -8.015250 27 17 19 N 4.665115 6.240142 -8.964669 27 20 20 N 4.501714 7.337820 -9.124331 27 19 21 N -4.582850 7.370954 -2.273130 27 22 22 N -3.494753 7.413596 -2.540182 27 21 23 N 3.444686 9.027524 -3.078818 27 24 24 N 3.406216 8.682377 -4.144878 27 23 25 N -1.116852 -1.023670 -7.262859 27 26 26 N -0.606371 -0.188645 -7.809879 27 25 27 N 1.815321 -5.154501 -6.842256 27 28 28 N 2.464792 -4.256951 -6.669976 27 27 29 N 2.540558 2.175294 2.888867 27 30 30 N 1.523692 2.123340 3.358304 27 29 31 N 2.566955 4.347982 -0.610156 27 32 32 N 2.276620 4.794850 -1.596617 27 31 33 N 0.667680 -7.221752 1.568196 27 34 34 N -0.314322 -7.099041 1.041220 27 33 35 N 8.329284 -1.330310 3.989719 27 36 36 N 8.751604 -2.024339 4.762415 27 35 37 N -7.430692 -0.482312 -2.181129 27 38 38 N -7.214678 -0.989602 -1.204868 27 37 39 N 3.576276 5.276219 -5.027869 27 40 40 N 3.496349 5.782814 -6.024896 27 39 41 N -6.456380 6.572557 -7.778210 27 42 42 N -7.245555 6.550210 -6.982099 27 41 43 N -8.349707 -5.613678 -3.871225 27 44 44 N -8.851857 -4.726958 -3.403609 27 43 45 N -8.107063 3.015845 -6.271148 27 46 46 N -7.368730 2.197297 -6.066372 27 45 47 N 7.174082 7.282737 -6.694530 27 48 48 N 7.259363 7.262092 -5.576769 27 47 49 N -7.540988 -5.062359 4.583585 27 50 50 N -6.558300 -4.774528 4.126895 27 49 51 N -2.739978 -7.270482 -1.300353 27 52 52 N -3.546139 -7.210045 -0.523473 27 51 53 N 7.244863 -7.521358 -2.870794 27 54 54 N 7.620005 -7.931475 -1.897059 27 53 55 N 5.094571 -0.728389 5.267577 27 56 56 N 5.298839 -1.804868 5.505393 27 55 57 N -3.330998 5.020337 8.374168 27 58 58 N -3.181855 5.203304 9.470237 27 57 59 N 0.104239 -0.240047 -4.357882 27 60 60 N 0.209797 -0.556267 -3.287390 27 59 61 N -3.217774 7.516634 0.967798 27 62 62 N -2.525408 8.146157 1.585391 27 61 63 N -7.892330 3.454013 2.979854 27 64 64 N -7.663795 3.590755 4.068965 27 63 65 N 8.494033 -5.363363 6.868837 27 66 66 N 9.126670 -4.716730 7.531201 27 65 67 N -0.699900 -7.685637 -3.837331 27 68 68 N 0.050530 -6.852619 -3.842550 27 67 69 N -5.439463 6.749997 4.347049 27 70 70 N -4.676845 6.069894 3.885571 27 69 71 N 1.979278 -1.043993 4.587529 27 72 72 N 0.877248 -0.868711 4.696602 27 71 73 N 4.502504 -3.874322 9.167737 27 74 74 N 5.578087 -4.046454 8.902060 27 73 75 N -4.478931 4.084069 0.209736 27 76 76 N -5.386533 3.661916 0.714845 27 75 77 N -9.228529 0.809059 0.761850 27 78 78 N -8.349194 0.540610 1.403561 27 77 79 N 6.970304 -8.305436 4.427609 27 80 80 N 6.029887 -7.696499 4.471195 27 79 81 N -1.809697 -1.040594 -0.043520 27 82 82 N -2.747196 -1.652045 0.022179 27 81 83 N -1.188587 -8.212353 5.068890 27 84 84 N -1.077896 -8.196691 3.953277 27 83 85 N 2.703016 -5.857119 -2.450340 27 86 86 N 2.284748 -6.177303 -1.460581 27 85 87 N -0.784271 4.753862 5.369792 27 88 88 N -0.673131 5.244648 4.367861 27 87 89 N -5.110317 -7.157677 -3.835923 27 90 90 N -5.242615 -6.892025 -4.917134 27 89 91 N -8.333038 -3.871433 0.175903 27 92 92 N -7.922314 -4.880078 -0.090611 27 91 93 N 0.073729 -4.377097 5.087950 27 94 94 N -0.232798 -5.265008 4.475787 27 93 95 N -3.711198 3.970765 -4.689031 27 96 96 N -3.868763 3.492004 -3.687506 27 95 97 N 5.594486 2.983014 -7.201071 27 98 98 N 6.063631 2.205750 -7.858987 27 97 99 N 1.388824 -3.132870 8.516843 27 100 100 N 1.508008 -2.367440 7.706286 27 99 101 N -7.970116 7.582975 0.877401 27 102 102 N -7.344966 7.405273 1.791020 27 101 103 N -6.330160 5.657100 7.175121 27 104 104 N -7.449540 5.594568 7.188111 27 103 105 N -1.829398 2.333199 -1.115986 27 106 106 N -1.812364 1.505985 -1.872634 27 105 107 N 3.284055 -5.978663 5.538615 27 108 108 N 3.999848 -5.360772 6.141060 27 107 109 N 6.347223 5.084327 -2.166520 27 110 110 N 5.798167 6.061733 -2.149070 27 109 111 N -6.868240 -1.368248 7.541964 27 112 112 N -6.936641 -2.302703 6.926168 27 111 113 N -5.258925 -3.538515 -2.560425 27 114 114 N -4.824092 -4.504195 -2.192360 27 113 115 N 2.279455 5.086370 6.218351 27 116 116 N 3.294434 5.220799 6.675334 27 115 117 N 2.242976 8.301051 5.964911 27 118 118 N 1.859806 8.856358 5.069421 27 117 119 N 7.519308 6.276179 6.185479 27 120 120 N 7.536389 6.934536 7.092874 27 119 121 N -5.062738 -7.411955 2.294613 27 122 122 N -5.451267 -8.248091 1.656639 27 121 123 N -1.543915 0.923138 2.535920 27 124 124 N -2.512666 1.332193 2.924878 27 123 125 N 6.036530 -2.544737 -5.835980 27 126 126 N 5.892098 -1.919140 -4.916819 27 125 127 N -2.965701 -7.250560 -8.332074 27 128 128 N -2.660569 -6.269018 -7.884236 27 127 129 N 9.151298 -5.068159 -7.279172 27 130 130 N 8.663527 -4.222732 -6.727427 27 129 131 N 3.552336 -1.722931 -1.957321 27 132 132 N 3.688924 -2.795693 -1.661323 27 131 133 N -7.102665 -9.091475 -1.822903 27 134 134 N -7.306327 -8.065421 -1.419390 27 133 135 N 0.374964 8.042282 -1.052567 27 136 136 N 0.498637 7.881378 0.050114 27 135 137 N 8.473941 2.365012 7.673754 27 138 138 N 7.557388 2.874667 7.277177 27 137 139 N -1.892423 -3.730691 -5.399781 27 140 140 N -2.847946 -3.560438 -5.961103 27 139 141 N -7.962698 -8.874945 5.722991 27 142 142 N -7.966350 -8.315021 4.751620 27 141 143 N -5.585060 -0.650798 3.055968 27 144 144 N -6.509144 -0.740227 3.684586 27 143 145 N -3.756720 -4.993758 5.628132 27 146 146 N -3.699083 -5.671571 6.519388 27 145 147 N -3.618112 -0.630978 -3.877117 27 148 148 N -4.282342 0.271553 -3.913511 27 147 149 N 4.347235 2.374743 -3.029206 27 150 150 N 4.488888 1.362393 -3.489826 27 149 151 N 7.089268 -1.055181 8.582955 27 152 152 N 7.560798 -1.355549 9.554822 27 151 153 N 2.037568 9.073419 -7.231019 27 154 154 N 1.255404 9.187237 -6.435812 27 153 155 N 5.765204 2.197003 0.846986 27 156 156 N 5.186805 2.961172 0.265098 27 155 157 N -8.204237 -8.869513 9.309341 27 158 158 N -8.775554 -8.019732 8.852658 27 157 159 N 0.154194 5.671548 -6.915742 27 160 160 N -0.310254 6.373781 -7.656179 27 159 161 N 0.484704 -6.638697 8.067546 27 162 162 N -0.473366 -6.132792 7.779013 27 161 163 N -0.538799 8.355521 8.222082 27 164 164 N -0.656359 7.404118 7.640617 27 163 165 N -1.225630 -4.216644 -2.054840 27 166 166 N -0.305288 -3.786992 -2.529664 27 165 167 N 6.753267 -4.399786 2.858440 27 168 168 N 6.234648 -5.257376 2.355785 27 167 169 N -1.952653 -3.123812 8.359360 27 170 170 N -2.995639 -3.404906 8.659784 27 169 171 N -0.196650 2.901420 -4.759678 27 172 172 N 0.906093 2.704812 -4.710784 27 171 173 N 5.598470 3.381521 4.514960 27 174 174 N 6.367704 2.636516 4.182795 27 173 175 N -8.958119 -1.633865 -4.733555 27 176 176 N -8.655969 -0.884361 -5.510755 27 175 177 N 1.659600 1.037587 -0.463482 27 178 178 N 1.930007 0.273435 0.311142 27 177 179 N 6.359380 -8.052089 8.436491 27 180 180 N 5.626599 -7.645211 9.181186 27 179 181 N 0.536395 -3.455423 1.700058 27 182 182 N 0.485616 -3.910290 0.676530 27 181 183 N 8.125229 -7.702427 1.582255 27 184 184 N 9.231937 -7.523379 1.597417 27 183 185 N 6.659775 6.485761 2.355115 27 186 186 N 7.623561 7.003507 2.109872 27 185 187 N 2.625655 -0.272815 -7.652684 27 188 188 N 2.803013 -0.078350 -6.562814 27 187 189 N 4.512033 -2.209323 1.386448 27 190 190 N 4.059087 -2.621975 2.325408 27 189 191 N -0.482335 6.501201 -3.856413 27 192 192 N 0.627965 6.645687 -3.915145 27 191 193 N 2.913563 6.114885 3.391401 27 194 194 N 3.003347 6.017080 2.278089 27 193 195 N 3.939324 1.733053 7.419746 27 196 196 N 3.322661 1.792720 6.485266 27 195 197 N -2.076583 -2.291739 3.950766 27 198 198 N -2.764144 -1.659026 4.570463 27 197 199 N 4.780491 -8.866887 1.436789 27 200 200 N 4.320646 -8.768607 0.418962 27 199 201 N -5.164608 -0.080651 -7.503903 27 202 202 N -4.207110 0.486342 -7.366765 27 201 203 N -0.903844 4.794629 0.860329 27 204 204 N -0.984357 3.790275 1.352144 27 203 205 N 5.531796 -6.998614 -5.849207 27 206 206 N 5.413651 -5.886620 -5.767953 27 205 207 N -7.009916 5.510662 -3.898905 27 208 208 N -8.081478 5.833647 -3.966165 27 207 209 N -5.482428 1.502383 6.736076 27 210 210 N -4.951848 2.211131 7.424009 27 209 211 N -1.681190 1.563150 6.903367 27 212 212 N -0.573160 1.495593 7.060827 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -8.689051 3.717955 0.085439 27 2 2 N -8.471356 4.662965 -0.477281 27 1 3 N 7.710907 1.823796 -2.249884 27 4 4 N 7.916815 0.862192 -2.788409 27 3 5 N -1.602060 -4.893954 1.260167 27 6 6 N -2.561545 -5.430443 1.480755 27 5 7 N -8.395192 -8.416132 -4.440885 27 8 8 N -8.704864 -8.017165 -5.441893 27 7 9 N 1.640664 2.832665 -8.245451 27 10 10 N 0.882959 2.840414 -9.071836 27 9 11 N -4.482026 8.000735 7.787302 27 12 12 N -4.726837 8.827098 7.070169 27 11 13 N 7.161102 -3.180971 -1.048080 27 14 14 N 6.850162 -4.033073 -1.707115 27 13 15 N -2.717496 6.419364 -7.714640 27 16 16 N -2.467287 7.496312 -7.528447 27 15 17 N -5.533691 -7.593595 -8.070099 27 18 18 N -5.717624 -6.496854 -7.927209 27 17 19 N 4.676996 4.715129 -8.218526 27 20 20 N 4.210713 5.728904 -8.109304 27 19 21 N -4.164422 7.140770 -1.739483 27 22 22 N -4.874640 6.278759 -1.837538 27 21 23 N 4.641737 8.585714 -2.250315 27 24 24 N 5.018291 8.071426 -3.172706 27 23 25 N -2.800966 0.409215 -7.022373 27 26 26 N -1.777069 0.861233 -6.956015 27 25 27 N 2.274773 -5.287996 -5.559569 27 28 28 N 1.241579 -4.914836 -5.783958 27 27 29 N 2.850648 2.797956 3.632678 27 30 30 N 2.331996 3.196448 2.722023 27 29 31 N 1.972548 4.648571 -1.402323 27 32 32 N 2.106755 5.716746 -1.089146 27 31 33 N 2.183330 -5.604157 2.232450 27 34 34 N 1.831386 -6.364901 1.487807 27 33 35 N 8.303012 -0.570227 4.812285 27 36 36 N 9.389550 -0.339003 4.964138 27 35 37 N -7.375858 -0.087673 -1.506548 27 38 38 N -6.445093 -0.486817 -1.987641 27 37 39 N 3.093040 4.714915 -4.574402 27 40 40 N 3.104792 5.503811 -5.371016 27 39 41 N -6.392359 6.842576 -6.681429 27 42 42 N -7.358992 7.063819 -7.204651 27 41 43 N -7.213447 -4.643704 -4.205774 27 44 44 N -8.293536 -4.912395 -4.070487 27 43 45 N -8.886151 2.549958 -5.707814 27 46 46 N -7.934749 2.413628 -6.285169 27 45 47 N 7.602944 7.615040 -5.826446 27 48 48 N 6.808582 7.003146 -6.328108 27 47 49 N -7.611506 -4.536001 3.481676 27 50 50 N -6.777530 -4.090725 4.084421 27 49 51 N -2.669320 -7.918308 -0.924538 27 52 52 N -2.693321 -7.912209 -2.045465 27 51 53 N 7.864180 -8.842301 -2.123377 27 54 54 N 8.087379 -7.785222 -1.823617 27 53 55 N 5.613514 -1.647532 6.614082 27 56 56 N 6.470917 -2.286817 6.950630 27 55 57 N -3.758609 4.054615 8.460227 27 58 58 N -2.850556 3.654999 8.982563 27 57 59 N -0.894096 -1.396218 -3.082525 27 60 60 N -0.664329 -1.591052 -4.162496 27 59 61 N -2.537653 7.265087 2.841694 27 62 62 N -2.482577 7.404868 1.730605 27 61 63 N -8.253591 4.272434 4.241299 27 64 64 N -8.780022 4.455898 3.268518 27 63 65 N 7.640933 -5.595836 6.396980 27 66 66 N 8.729405 -5.511911 6.141493 27 65 67 N -0.784749 -7.717595 -5.436568 27 68 68 N -0.935164 -8.752264 -5.031690 27 67 69 N -4.590127 4.893896 4.680768 27 70 70 N -4.576935 5.681556 5.478583 27 69 71 N 0.350498 -0.184069 4.727412 27 72 72 N 0.589049 -0.957318 3.951352 27 71 73 N 4.934647 -5.422150 -8.872483 27 74 74 N 4.886951 -4.303049 -8.921775 27 73 75 N -5.150208 2.871535 -0.600124 27 76 76 N -4.384645 3.445315 -0.015507 27 75 77 N 8.460190 1.232734 1.880374 27 78 78 N 7.451799 1.429270 1.431362 27 77 79 N 5.598113 -8.221993 5.366827 27 80 80 N 6.550005 -8.391588 4.799177 27 79 81 N -3.229102 -0.583959 0.271850 27 82 82 N -2.795512 -1.561131 -0.066124 27 81 83 N -1.695263 -8.146877 3.608994 27 84 84 N -2.493739 -7.860707 4.342228 27 83 85 N 4.372688 -6.172788 -1.988523 27 86 86 N 3.384668 -5.693385 -2.214526 27 85 87 N -1.588161 3.620535 5.622166 27 88 88 N -0.546549 3.981418 5.417478 27 87 89 N -4.915228 -7.143906 -4.428138 27 90 90 N -4.061282 -7.713247 -4.879489 27 89 91 N -8.301394 -2.242085 1.514106 27 92 92 N -8.310336 -2.427996 0.408464 27 91 93 N -0.331189 -4.803706 5.591636 27 94 94 N -0.976366 -4.713137 4.679149 27 93 95 N -3.931095 4.105820 -5.968694 27 96 96 N -4.607065 3.619559 -6.719497 27 95 97 N 4.705878 2.115050 -5.784397 27 98 98 N 5.636594 1.526435 -5.573708 27 97 99 N 2.331748 -1.796536 7.772137 27 100 100 N 1.272858 -1.443798 7.878996 27 99 101 N -5.798662 6.024054 1.719726 27 102 102 N -6.495307 6.837211 1.387235 27 101 103 N -7.358391 6.035108 6.905567 27 104 104 N -7.528824 5.809546 7.990539 27 103 105 N -1.768869 2.212671 -2.476584 27 106 106 N -2.426644 2.731936 -3.221422 27 105 107 N 3.749279 -4.367275 5.338209 27 108 108 N 2.739432 -3.894398 5.455192 27 107 109 N 6.607738 4.712015 -4.143236 27 110 110 N 6.625616 5.059303 -3.077329 27 109 111 N -7.540377 -3.537542 8.373494 27 112 112 N -6.845688 -3.880600 7.563058 27 111 113 N -4.179557 -4.079689 -2.313972 27 114 114 N -4.766121 -4.395882 -1.412276 27 113 115 N 2.701980 4.812738 6.655152 27 116 116 N 2.392219 5.720591 6.074688 27 115 117 N 1.934247 -8.389371 4.499916 27 118 118 N 2.364012 -9.133187 5.220422 27 117 119 N 7.488544 6.756748 6.908304 27 120 120 N 6.386190 6.850923 6.726542 27 119 121 N -5.436726 -7.108301 2.354465 27 122 122 N -5.171368 -8.197596 2.343952 27 121 123 N -2.165988 1.360670 3.150583 27 124 124 N -2.502530 2.231882 2.530245 27 123 125 N 7.193756 -2.634000 -4.830827 27 126 126 N 6.639379 -2.840269 -5.783302 27 125 127 N -1.061180 -7.709166 8.841169 27 128 128 N -1.259314 -6.644478 9.131464 27 127 129 N 7.963256 -5.982949 -8.221833 27 130 130 N 8.775991 -5.569319 -7.569560 27 129 131 N 4.093552 -2.562084 -3.760838 27 132 132 N 3.217206 -2.439978 -3.072217 27 131 133 N -6.673670 -8.238452 -1.510389 27 134 134 N -7.200012 -7.264768 -1.689255 27 133 135 N 0.220737 -9.350358 0.346540 27 136 136 N 0.677503 -8.789701 -0.510267 27 135 137 N 8.564070 3.056258 8.896549 27 138 138 N 9.030514 2.099623 8.543888 27 137 139 N -2.688345 -3.177432 -6.366606 27 140 140 N -2.328204 -4.234674 -6.464728 27 139 141 N -7.202742 8.443697 4.456683 27 142 142 N -8.280159 8.245250 4.218189 27 141 143 N -6.257972 0.884206 1.661299 27 144 144 N -5.997971 -0.204963 1.717875 27 143 145 N -4.502261 -5.850219 6.826943 27 146 146 N -4.888123 -5.974629 5.781609 27 145 147 N -4.781709 0.478297 -4.581268 27 148 148 N -4.296564 -0.383430 -4.052922 27 147 149 N 3.965248 0.592100 -2.326957 27 150 150 N 3.670911 1.601071 -1.936530 27 149 151 N 7.012351 -0.489801 -8.723133 27 152 152 N 7.639300 -0.853372 -7.867659 27 151 153 N 3.116910 -8.178311 -7.646829 27 154 154 N 3.251589 -8.955366 -6.849873 27 153 155 N 6.062862 4.522469 0.436571 27 156 156 N 4.954043 4.656145 0.337867 27 155 157 N -8.681920 -8.970983 7.672042 27 158 158 N -8.173028 -8.336546 8.443798 27 157 159 N 0.750625 7.550082 -6.986562 27 160 160 N 0.917366 6.904234 -7.887766 27 159 161 N 2.019004 -6.744708 7.599109 27 162 162 N 1.839629 -5.854934 8.257300 27 161 163 N -0.474912 7.428317 6.492691 27 164 164 N -0.973254 7.448436 7.496852 27 163 165 N -0.951708 -4.946007 -2.750375 27 166 166 N -0.103725 -5.652573 -2.553457 27 165 167 N 6.603864 -4.114691 2.462685 27 168 168 N 6.806202 -4.150463 3.564895 27 167 169 N -1.960139 -3.075887 8.312669 27 170 170 N -2.764273 -2.320462 8.113191 27 169 171 N 1.114247 2.235941 -4.794306 27 172 172 N 0.845344 1.471057 -4.019883 27 171 173 N 6.376412 3.666862 5.081481 27 174 174 N 6.780896 2.665295 4.780910 27 173 175 N -7.971986 -1.189898 -5.794327 27 176 176 N -7.806261 -1.411306 -4.707772 27 175 177 N 1.086853 1.786022 -0.079867 27 178 178 N 0.043059 1.392629 0.033387 27 177 179 N 6.683472 -9.364946 -8.830321 27 180 180 N 5.955238 -8.565348 -8.534675 27 179 181 N 0.681665 -2.367638 -0.636266 27 182 182 N 0.914605 -3.295178 -0.051030 27 181 183 N 8.903911 -6.894924 2.158713 27 184 184 N 9.259145 -7.255459 1.158257 27 183 185 N 7.291426 7.231395 2.049715 27 186 186 N 6.581147 6.832427 2.820051 27 185 187 N 2.583611 -1.074773 -6.329054 27 188 188 N 1.566452 -0.980949 -6.791303 27 187 189 N 4.346244 -1.136370 2.337296 27 190 190 N 4.165182 -0.048631 2.134490 27 189 191 N -0.571018 6.724000 -2.986008 27 192 192 N -1.538644 6.424788 -3.466906 27 191 193 N 2.866871 6.603466 2.453966 27 194 194 N 3.575733 7.403084 2.114533 27 193 195 N 4.543631 1.400744 9.183751 27 196 196 N 4.101535 1.291259 8.159226 27 195 197 N -3.709459 -1.599485 3.444969 27 198 198 N -3.613797 -2.524909 4.070693 27 197 199 N 5.935028 -8.220826 0.895457 27 200 200 N 5.055748 -7.743192 1.401244 27 199 201 N -5.840601 0.940023 -8.559363 27 202 202 N -6.211165 -0.118144 -8.551926 27 201 203 N -1.397382 4.818082 0.034115 27 204 204 N -0.861360 4.878271 1.017043 27 203 205 N 5.351145 -6.668204 -5.352709 27 206 206 N 6.272957 -7.285156 -5.516183 27 205 207 N -8.661946 6.188725 -3.801275 27 208 208 N -7.775004 6.744518 -3.399385 27 207 209 N -6.561535 1.661633 6.494492 27 210 210 N -6.817114 2.073592 5.483523 27 209 211 N -3.397273 0.722112 6.777707 27 212 212 N -3.250696 0.810437 7.885769 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.491926 1.851150 -1.877409 27 2 2 N -6.795209 2.478197 -2.492621 27 1 3 N 7.653310 -0.277018 -1.824164 27 4 4 N 8.206749 0.222570 -2.661544 27 3 5 N -1.298037 -4.157812 1.400072 27 6 6 N -2.404840 -4.297170 1.287577 27 5 7 N -8.670499 -7.064962 -3.972699 27 8 8 N -9.371237 -7.937596 -4.040265 27 7 9 N 0.370349 3.003233 -7.858134 27 10 10 N 0.042329 3.808909 -8.565509 27 9 11 N -5.249711 8.686822 6.605612 27 12 12 N -4.451245 8.154456 7.185375 27 11 13 N 5.101679 -3.662909 -1.406513 27 14 14 N 5.646767 -4.609390 -1.659777 27 13 15 N -2.956457 7.919327 -7.353314 27 16 16 N -2.165733 7.446812 -7.992512 27 15 17 N -5.341188 -6.796156 -8.574073 27 18 18 N -6.187990 -6.275088 -8.055897 27 17 19 N 5.011703 5.169157 8.573575 27 20 20 N 5.607287 5.442425 9.483352 27 19 21 N -5.111391 6.600819 -2.409203 27 22 22 N -4.837400 6.747454 -3.486475 27 21 23 N 3.354419 7.236192 -3.536428 27 24 24 N 2.854499 8.116356 -4.018590 27 23 25 N -2.133365 1.389142 -7.023122 27 26 26 N -2.170405 0.269464 -7.068267 27 25 27 N 0.644730 -4.831567 -6.204805 27 28 28 N 1.284008 -3.933691 -6.410302 27 27 29 N 2.859853 3.122822 3.171737 27 30 30 N 2.904087 2.066058 2.799742 27 29 31 N 2.156957 4.895427 -0.548531 27 32 32 N 2.657842 5.684884 0.070307 27 31 33 N 1.591812 -5.999252 1.960042 27 34 34 N 1.928118 -5.478460 1.025824 27 33 35 N 9.046541 -0.044436 4.637152 27 36 36 N 8.249197 -0.538598 5.251266 27 35 37 N -6.041522 -1.607010 0.046270 27 38 38 N -6.340075 -0.851303 0.818839 27 37 39 N 3.499626 3.945246 -6.167675 27 40 40 N 2.703534 4.514195 -5.620295 27 39 41 N -6.697022 8.460734 -7.184599 27 42 42 N -7.036848 7.973584 -6.233656 27 41 43 N -9.132176 -3.943234 -2.196908 27 44 44 N -8.443700 -4.551444 -1.554123 27 43 45 N -8.638013 1.947194 -5.419735 27 46 46 N -7.987692 2.564931 -6.092471 27 45 47 N 6.230203 7.712078 -5.547957 27 48 48 N 6.827116 8.467475 -6.122551 27 47 49 N -7.644551 -3.389950 5.469795 27 50 50 N -7.926564 -4.394112 5.058437 27 49 51 N -3.420650 -7.638437 0.481140 27 52 52 N -2.515098 -8.205652 0.141534 27 51 53 N 6.945061 -8.577589 -1.291025 27 54 54 N 6.115063 -9.065893 -1.865265 27 53 55 N 5.638138 -1.012986 6.593592 27 56 56 N 6.075809 -1.867357 7.172888 27 55 57 N -3.281023 4.177372 8.155375 27 58 58 N -3.391895 3.522538 7.252054 27 57 59 N -0.257902 -0.814211 -4.164611 27 60 60 N -0.520469 -1.902882 -4.110358 27 59 61 N -2.038359 6.799277 2.764688 27 62 62 N -2.213369 6.922358 3.865285 27 61 63 N 8.617017 4.797210 3.823588 27 64 64 N 9.153332 4.264165 2.995748 27 63 65 N 7.802703 -5.447326 7.569023 27 66 66 N 8.892076 -5.183634 7.597704 27 65 67 N -0.679964 -8.284618 -5.051619 27 68 68 N 0.299157 -8.332629 -5.595779 27 67 69 N -3.896551 4.322362 3.042266 27 70 70 N -4.853415 4.580135 3.566722 27 69 71 N 1.360699 -0.779358 3.439561 27 72 72 N 0.411650 -0.896695 2.854216 27 71 73 N 3.873093 -3.328742 -8.611822 27 74 74 N 4.838205 -2.882589 -8.256017 27 73 75 N -4.210506 2.836268 0.350537 27 76 76 N -4.169395 3.414844 -0.608967 27 75 77 N 8.172413 1.774917 1.298660 27 78 78 N 8.954740 1.072575 0.909085 27 77 79 N 5.835243 -7.185334 5.835915 27 80 80 N 5.003144 -6.435067 5.793502 27 79 81 N -2.684346 -1.389835 -0.900003 27 82 82 N -2.919071 -0.306497 -0.731555 27 81 83 N -1.739405 -7.496785 3.472886 27 84 84 N -0.828265 -7.957088 3.936603 27 83 85 N 3.144512 -7.343787 -2.018053 27 86 86 N 2.566835 -7.040281 -2.929788 27 85 87 N -0.196976 1.885318 5.761833 27 88 88 N -0.756566 2.091073 4.812300 27 87 89 N -4.849722 -8.179126 -4.647708 27 90 90 N -4.135552 -7.824720 -5.436028 27 89 91 N 9.036415 -2.770979 1.525768 27 92 92 N 8.504917 -2.100421 0.801234 27 91 93 N -0.392340 -3.191299 5.192782 27 94 94 N -0.872899 -4.160061 4.896720 27 93 95 N -4.220244 4.453761 -6.023612 27 96 96 N -5.038642 4.801609 -6.706485 27 95 97 N 6.134421 0.769841 -6.572700 27 98 98 N 5.544963 0.352932 -5.714903 27 97 99 N 1.657016 -1.051604 6.456380 27 100 100 N 1.975572 -1.493638 7.436287 27 99 101 N -5.184376 7.118406 0.981112 27 102 102 N -6.041274 6.414656 0.815124 27 101 103 N -6.160410 5.701657 8.358302 27 104 104 N -6.900114 6.408324 8.817160 27 103 105 N -2.672108 2.188819 -3.964238 27 106 106 N -1.955135 3.036140 -3.805855 27 105 107 N 3.591809 -3.489698 4.757325 27 108 108 N 3.038255 -4.322689 4.250577 27 107 109 N 6.699094 3.839501 -4.694292 27 110 110 N 6.277273 3.442857 -3.734173 27 109 111 N -6.019241 -2.193030 -9.326038 27 112 112 N -5.663335 -2.930520 -8.560187 27 111 113 N -5.513333 -4.375281 -2.618464 27 114 114 N -4.671427 -5.115389 -2.595530 27 113 115 N 4.290235 5.768832 5.349685 27 116 116 N 3.248843 5.798279 5.764079 27 115 117 N 2.084915 9.523616 6.924578 27 118 118 N 1.863853 8.490383 7.299612 27 117 119 N 7.478510 6.022877 6.624259 27 120 120 N 7.698977 7.050201 6.232990 27 119 121 N -5.528613 -7.600342 2.879186 27 122 122 N -4.813279 -8.401159 3.201800 27 121 123 N -2.988405 0.377756 3.149889 27 124 124 N -3.188071 -0.543552 2.542917 27 123 125 N 7.397927 -2.112103 -4.890372 27 126 126 N 7.416044 -3.232673 -4.857424 27 125 127 N -0.655965 -7.720393 8.804958 27 128 128 N -1.112156 -7.926101 7.801632 27 127 129 N 8.872898 -5.453398 -7.000003 27 130 130 N 9.068773 -4.429497 -7.412737 27 129 131 N 3.299212 -1.913206 -4.704292 27 132 132 N 3.318166 -2.420057 -3.704376 27 131 133 N -7.156567 -9.090719 -0.401215 27 134 134 N -7.946164 -8.491945 -0.925710 27 133 135 N 0.703762 9.098423 -0.956452 27 136 136 N -0.086056 8.542738 -1.526092 27 135 137 N 8.579952 3.436426 9.364688 27 138 138 N 8.487343 2.652383 8.568579 27 137 139 N -3.528770 -4.811391 -6.666683 27 140 140 N -2.863984 -4.582918 -5.793213 27 139 141 N -7.804292 7.447751 4.812430 27 142 142 N -7.097804 7.725162 3.987198 27 141 143 N -6.280634 1.185409 3.420172 27 144 144 N -6.544362 1.911672 2.607720 27 143 145 N -4.677265 -5.763083 5.995766 27 146 146 N -4.558581 -5.173969 6.942311 27 145 147 N -3.842896 -1.264304 -4.175307 27 148 148 N -4.503715 -0.995239 -5.040184 27 147 149 N 4.198069 0.783347 -0.494076 27 150 150 N 5.171265 1.166743 -0.090360 27 149 151 N 8.548157 -0.900083 -8.429427 27 152 152 N 9.153915 -0.971386 -9.370204 27 151 153 N 2.535943 -7.556706 -7.764909 27 154 154 N 3.055526 -7.391214 -6.785247 27 153 155 N 5.440104 4.372830 1.132919 27 156 156 N 6.143761 4.291701 0.263795 27 155 157 N -8.221484 -7.778740 5.976670 27 158 158 N -7.901018 -7.803029 7.050820 27 157 159 N 1.695193 7.176543 -7.927126 27 160 160 N 2.139229 6.267774 -8.410926 27 159 161 N 1.828328 -5.015567 7.412352 27 162 162 N 1.472926 -5.389149 8.407950 27 161 163 N -0.709539 6.310193 7.255035 27 164 164 N -0.497935 5.910193 6.229211 27 163 165 N -0.909825 -4.699147 -2.094237 27 166 166 N -0.860330 -5.436780 -2.937170 27 165 167 N 6.729962 -4.173702 3.712843 27 168 168 N 7.253287 -4.006369 4.690195 27 167 169 N -1.616261 -3.396284 9.059096 27 170 170 N -1.477257 -4.492234 8.867628 27 169 171 N 2.580588 1.565412 -3.875679 27 172 172 N 1.950931 1.920100 -3.018465 27 171 173 N 5.410451 2.143273 5.264109 27 174 174 N 6.158464 2.977973 5.235084 27 173 175 N -7.653647 -1.389171 -6.204397 27 176 176 N -7.425644 -2.229479 -5.498006 27 175 177 N 0.288718 1.020983 -0.229911 27 178 178 N 0.647359 2.023495 0.121423 27 177 179 N 6.123831 9.091492 8.895938 27 180 180 N 5.255107 8.418214 8.674344 27 179 181 N 2.354108 -2.387177 -0.201731 27 182 182 N 1.580205 -2.156714 -0.979582 27 181 183 N 9.348295 -7.509571 2.165978 27 184 184 N 8.808593 -6.596795 1.801765 27 183 185 N 6.839112 8.063662 3.144954 27 186 186 N 7.350445 7.568616 2.278607 27 185 187 N 2.188919 -0.362267 -7.521882 27 188 188 N 1.269857 -0.249436 -6.889677 27 187 189 N 6.039903 -0.675458 2.600378 27 190 190 N 5.261384 -1.476849 2.506728 27 189 191 N -0.826466 5.990617 -4.636634 27 192 192 N -1.628251 6.657557 -4.225026 27 191 193 N 1.834691 7.761382 2.987645 27 194 194 N 2.640982 8.496212 3.246505 27 193 195 N 3.720624 2.026761 8.378817 27 196 196 N 4.780014 2.162265 8.720021 27 195 197 N -4.871269 -3.276427 2.874086 27 198 198 N -4.838786 -3.307889 3.994375 27 197 199 N 4.903648 -5.972826 1.204534 27 200 200 N 5.115576 -7.073010 1.246603 27 199 201 N -5.353645 1.069758 -8.640963 27 202 202 N -5.229745 1.999963 -8.027401 27 201 203 N -1.835771 5.710700 -1.043822 27 204 204 N -1.450981 5.268383 -0.088112 27 203 205 N 5.971170 -6.669186 -5.972128 27 206 206 N 5.680704 -6.300785 -4.953796 27 205 207 N -9.378074 6.601653 -1.721363 27 208 208 N -8.862455 5.641259 -1.983794 27 207 209 N -7.396629 3.381937 5.962674 27 210 210 N -7.153658 2.896317 6.943605 27 209 211 N -3.105710 -0.038367 6.440475 27 212 212 N -2.645991 -1.052986 6.568130 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.009043 2.030835 -2.509620 27 2 2 N -6.867680 1.653287 -1.463407 27 1 3 N 7.773132 0.220844 -3.124709 27 4 4 N 8.151039 -0.814837 -2.920646 27 3 5 N -1.723270 -3.189649 1.385198 27 6 6 N -2.352495 -4.111628 1.279749 27 5 7 N 9.375478 -7.726549 -2.364545 27 8 8 N 8.533200 -7.250216 -2.930904 27 7 9 N 0.323608 3.440758 -8.539989 27 10 10 N -0.206345 3.453863 -7.552028 27 9 11 N -2.964993 8.558983 6.202523 27 12 12 N -2.095811 9.219429 6.458301 27 11 13 N 5.408610 -3.013883 -0.877841 27 14 14 N 4.374342 -2.951936 -0.449424 27 13 15 N -3.570681 7.615833 -8.474197 27 16 16 N -2.499018 7.745896 -8.777034 27 15 17 N -6.254500 -8.507621 8.438856 27 18 18 N -6.297181 -8.600564 9.555382 27 17 19 N 4.606608 5.496326 8.556631 27 20 20 N 5.720751 5.524834 8.434309 27 19 21 N -4.968566 4.770811 -2.858620 27 22 22 N -5.530757 5.740081 -2.819305 27 21 23 N 3.521749 7.604455 -4.310913 27 24 24 N 3.972599 8.622997 -4.438964 27 23 25 N -1.230249 0.272108 -8.060576 27 26 26 N -2.315356 0.551125 -8.018384 27 25 27 N 1.030651 -3.756325 -6.649077 27 28 28 N 0.257075 -3.218065 -7.256485 27 27 29 N 2.988382 2.303245 4.282591 27 30 30 N 3.162751 1.998320 3.217836 27 29 31 N 2.788313 5.280242 -1.541405 27 32 32 N 2.381876 4.523380 -0.820949 27 31 33 N -0.083001 -6.499823 0.650473 27 34 34 N 0.365226 -7.455732 0.273089 27 33 35 N 8.024795 0.139213 5.771708 27 36 36 N 7.438550 -0.282976 4.914292 27 35 37 N -6.635160 -1.754244 -0.673442 27 38 38 N -5.893387 -2.494418 -0.274689 27 37 39 N 4.288109 4.287745 -6.611887 27 40 40 N 3.645429 3.713495 -5.894747 27 39 41 N -7.451368 8.271363 -5.702890 27 42 42 N -6.720369 7.464084 -5.436372 27 41 43 N 9.045171 -3.623377 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94 94 N -1.502712 -3.649256 5.453298 27 93 95 N -4.542214 3.897310 -6.252858 27 96 96 N -4.407443 4.895822 -6.744693 27 95 97 N 5.783728 0.825670 -6.586969 27 98 98 N 5.512462 0.541485 -7.637085 27 97 99 N 0.670526 -0.529304 7.321954 27 100 100 N 0.056100 -0.824651 6.431819 27 99 101 N -5.021928 6.660489 1.740987 27 102 102 N -5.012403 5.625316 1.310389 27 101 103 N -6.019096 5.083771 8.548590 27 104 104 N -6.433811 6.007828 9.029444 27 103 105 N -2.060714 3.471523 -4.397360 27 106 106 N -1.868534 2.693824 -3.612924 27 105 107 N 3.690652 -4.883376 3.043092 27 108 108 N 2.621891 -5.116859 2.797480 27 107 109 N 5.592146 4.432116 -3.025660 27 110 110 N 5.349704 3.371148 -2.756109 27 109 111 N -6.430016 -2.469382 -8.282410 27 112 112 N -5.940028 -1.667356 -7.671055 27 111 113 N -5.897389 -5.848456 -2.549320 27 114 114 N -5.725802 -6.391565 -3.515074 27 113 115 N 3.791326 7.229537 5.447897 27 116 116 N 3.756257 6.112697 5.355562 27 115 117 N 2.756307 -8.042118 7.347584 27 118 118 N 1.841756 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-5.616048 6.673817 5.399662 27 141 143 N -6.309112 0.465942 2.189180 27 144 144 N -5.986967 1.464353 2.584766 27 143 145 N -3.646150 -6.125695 6.842928 27 146 146 N -4.667041 -5.871811 7.230762 27 145 147 N -4.641226 -0.108771 -5.563358 27 148 148 N -5.234668 0.823142 -5.372427 27 147 149 N 4.071173 0.933101 -0.590414 27 150 150 N 4.408408 1.878904 -0.091597 27 149 151 N 8.035667 -1.369580 -9.231048 27 152 152 N 8.990286 -1.223343 -8.661483 27 151 153 N 2.552771 -7.578777 -7.163303 27 154 154 N 3.026824 -6.598580 -7.430843 27 153 155 N 5.484319 5.694917 0.640838 27 156 156 N 5.019105 5.320509 1.589777 27 155 157 N 8.881070 -7.559161 6.090212 27 158 158 N 8.149162 -7.769656 6.913068 27 157 159 N 1.305652 6.730510 -8.073588 27 160 160 N 2.054876 7.514666 -8.357936 27 159 161 N 1.393835 -5.128360 7.643795 27 162 162 N 1.102709 -4.077123 7.384502 27 161 163 N 0.090772 6.612106 6.706715 27 164 164 N 0.309538 6.683830 5.609406 27 163 165 N -2.192903 -4.709677 -2.880734 27 166 166 N -1.183466 -4.810842 -2.403357 27 165 167 N 6.954550 -4.719671 4.282640 27 168 168 N 6.978085 -4.150339 5.248246 27 167 169 N -1.916634 -3.519947 8.491883 27 170 170 N -2.590506 -2.654131 8.722853 27 169 171 N 1.239121 2.378762 -3.174565 27 172 172 N 2.118737 1.755469 -3.482574 27 171 173 N 5.667819 3.755180 5.702541 27 174 174 N 6.569688 3.186933 5.354957 27 173 175 N -6.855047 -2.539800 -3.929292 27 176 176 N -7.685131 -2.952697 -4.559821 27 175 177 N -0.291259 2.196315 0.436845 27 178 178 N 0.708083 1.773296 0.718729 27 177 179 N 6.623832 -8.924124 -8.021352 27 180 180 N 5.853875 -9.257006 -8.765291 27 179 181 N 0.883281 -2.610211 -1.408385 27 182 182 N 1.267537 -3.357674 -0.666267 27 181 183 N -8.497410 -6.364059 2.590171 27 184 184 N -8.691222 -6.831791 1.589794 27 183 185 N 8.442186 7.848344 2.999147 27 186 186 N 7.331197 7.997261 3.023977 27 185 187 N 1.964185 -0.395606 -7.437460 27 188 188 N 2.189332 0.700760 -7.371282 27 187 189 N 5.564794 -1.987559 2.501218 27 190 190 N 5.199698 -0.932735 2.395667 27 189 191 N -0.265667 6.036597 -5.100883 27 192 192 N -0.987219 6.496387 -5.825484 27 191 193 N 1.456258 8.793632 3.112256 27 194 194 N 2.498662 8.700833 2.709923 27 193 195 N 3.473095 2.001814 8.035117 27 196 196 N 3.522068 1.528118 7.020080 27 195 197 N -5.538194 -4.869077 2.703881 27 198 198 N -5.295310 -3.864604 3.138775 27 197 199 N 6.198497 -5.811397 0.978417 27 200 200 N 6.608180 -6.828759 1.211278 27 199 201 N -6.861938 0.789380 -9.310074 27 202 202 N -7.040164 1.488967 -8.452225 27 201 203 N -2.351153 6.993644 -1.418022 27 204 204 N -1.393563 6.413573 -1.478256 27 203 205 N 5.602333 -6.152797 -5.219826 27 206 206 N 5.918475 -7.037218 -4.607500 27 205 207 N -9.017436 5.020660 -0.567624 27 208 208 N -7.902041 4.912074 -0.602147 27 207 209 N -7.415529 3.573752 5.779267 27 210 210 N -6.674686 2.899350 6.282678 27 209 211 N -3.171612 0.628240 6.023571 27 212 212 N -4.257481 0.351305 6.059418 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.103011 2.745306 -0.636709 27 2 2 N -7.143548 3.147930 -0.747461 27 1 3 N 7.679000 0.186574 -2.607900 27 4 4 N 8.739513 0.094654 -2.255831 27 3 5 N -3.246561 -2.847097 1.055822 27 6 6 N -3.553054 -2.851511 -0.022664 27 5 7 N 8.868550 9.513742 -1.352833 27 8 8 N 8.962230 8.737534 -0.549208 27 7 9 N 0.063264 3.744671 -8.896633 27 10 10 N -0.253287 4.068169 -7.870848 27 9 11 N -1.954457 -9.172347 7.296704 27 12 12 N -1.530667 -8.670193 6.388227 27 11 13 N 6.748071 -2.678574 -1.415844 27 14 14 N 5.999667 -3.109425 -2.130930 27 13 15 N -2.995218 7.430186 -8.353560 27 16 16 N -1.979057 7.105750 -8.698879 27 15 17 N -7.365909 -9.424127 9.268525 27 18 18 N -6.653020 -8.601891 8.998698 27 17 19 N 4.268116 6.401204 8.219884 27 20 20 N 5.046183 5.762724 8.713893 27 19 21 N -4.024453 5.523264 -2.655948 27 22 22 N -4.087986 4.419299 -2.841187 27 21 23 N 3.256807 7.516143 -5.073530 27 24 24 N 2.969252 8.534098 -4.701818 27 23 25 N -1.338822 0.967141 -6.527217 27 26 26 N -2.084910 1.232936 -7.320813 27 25 27 N 0.097784 -3.812748 -6.760548 27 28 28 N 0.050406 -3.159676 -7.670680 27 27 29 N 3.703604 2.122990 2.432355 27 30 30 N 4.042009 3.184063 2.303147 27 29 31 N 2.166680 5.946621 -2.151923 27 32 32 N 2.728753 4.978922 -2.220639 27 31 33 N -0.473763 -4.894454 0.134875 27 34 34 N 0.198543 -5.774734 0.308662 27 33 35 N -7.987336 0.080608 4.921266 27 36 36 N -8.713527 0.564360 5.625340 27 35 37 N -7.287416 -1.591643 -0.455549 27 38 38 N -6.844742 -2.597929 -0.235282 27 37 39 N 2.815560 4.383577 -7.075814 27 40 40 N 3.831000 4.539871 -6.626879 27 39 41 N -8.090416 7.957874 -5.720553 27 42 42 N -7.126284 7.434777 -5.488371 27 41 43 N -8.951147 -5.453854 -1.352016 27 44 44 N -9.292729 -5.116247 -2.365147 27 43 45 N -8.976775 2.844049 -5.247626 27 46 46 N -8.734863 1.776540 -5.004739 27 45 47 N 6.657765 6.923304 -6.493418 27 48 48 N 7.213019 6.752209 -5.534509 27 47 49 N -8.226550 -3.210000 6.215839 27 50 50 N -8.427539 -4.311226 6.152651 27 49 51 N -3.982863 -7.611022 0.198903 27 52 52 N -3.230864 -6.788405 0.076890 27 51 53 N 5.224194 8.476948 -2.195690 27 54 54 N 4.699551 7.899304 -1.390602 27 53 55 N 2.958346 -0.530187 6.805858 27 56 56 N 4.070137 -0.546834 6.661871 27 55 57 N -3.520776 2.810617 8.080008 27 58 58 N -3.574369 3.929344 8.131641 27 57 59 N -1.048129 -1.491664 -4.605926 27 60 60 N -1.441799 -0.681663 -3.938086 27 59 61 N 0.763824 5.793760 3.267247 27 62 62 N 1.144547 6.485610 2.471329 27 61 63 N 9.228516 4.267736 3.485931 27 64 64 N 8.897755 4.464631 2.432879 27 63 65 N 8.073577 -5.428743 9.119479 27 66 66 N 7.097665 -5.509453 8.573429 27 65 67 N 0.193706 -7.096952 -4.010176 27 68 68 N -0.356555 -7.730411 -4.753838 27 67 69 N -2.213287 5.243814 4.324636 27 70 70 N -2.278417 4.478062 5.141013 27 69 71 N 1.138233 -1.585833 3.729377 27 72 72 N 1.656034 -0.607821 3.549195 27 71 73 N 4.555511 -2.812848 -8.885705 27 74 74 N 4.330817 -3.613764 -8.133949 27 73 75 N -2.924584 3.183367 1.180509 27 76 76 N -2.432401 3.218069 0.173712 27 75 77 N 7.130378 0.932888 1.793028 27 78 78 N 7.543917 1.772618 1.175834 27 77 79 N 5.880977 -9.430133 4.869374 27 80 80 N 6.053729 -8.328880 4.989741 27 79 81 N -3.547356 0.900121 -1.345323 27 82 82 N -4.208079 -0.002241 -1.424560 27 81 83 N -0.448671 -7.411068 3.481387 27 84 84 N -1.476904 -7.092729 3.167563 27 83 85 N 4.072268 -6.349454 -3.422457 27 86 86 N 3.726136 -6.163612 -2.372340 27 85 87 N 1.644303 3.244301 4.970422 27 88 88 N 1.048749 2.330489 5.229946 27 87 89 N -3.234220 9.088636 -5.439800 27 90 90 N -3.988498 8.414120 -4.956910 27 89 91 N 8.345194 -2.318040 3.237772 27 92 92 N 9.338658 -2.291893 2.718702 27 91 93 N -1.825009 -3.927072 4.182238 27 94 94 N -2.027786 -2.840039 4.367524 27 93 95 N -4.560625 3.934536 -6.661457 27 96 96 N -3.664526 4.588866 -6.500369 27 95 97 N 6.025978 -0.387506 -6.032944 27 98 98 N 5.306432 0.343852 -6.485114 27 97 99 N -0.341456 0.467350 7.981378 27 100 100 N -0.589783 -0.468576 7.416165 27 99 101 N -5.146270 5.837566 1.263867 27 102 102 N -6.035615 5.931412 1.940143 27 101 103 N -7.100097 4.689871 -9.261786 27 104 104 N -6.462179 5.364729 -8.633521 27 103 105 N -0.776727 3.341234 -2.734624 27 106 106 N -1.229294 2.690631 -3.527711 27 105 107 N 2.269590 -5.518674 3.008550 27 108 108 N 3.322051 -5.517639 3.395089 27 107 109 N 5.802060 3.028769 -4.390300 27 110 110 N 5.532151 3.971205 -3.846193 27 109 111 N -6.557191 -4.279437 -8.059046 27 112 112 N -7.491408 -3.701594 -8.283599 27 111 113 N -5.458148 -7.022926 -2.592204 27 114 114 N -6.503953 -7.114643 -2.985867 27 113 115 N 4.651044 5.766712 4.425166 27 116 116 N 3.818993 6.126723 5.084842 27 115 117 N 2.645057 -8.660868 7.703593 27 118 118 N 3.080147 -8.796855 6.679242 27 117 119 N 8.446800 6.551445 5.691449 27 120 120 N 7.420412 6.424388 6.124434 27 119 121 N -4.574559 -8.871316 3.809927 27 122 122 N -5.256988 -7.987025 3.712910 27 121 123 N -1.922846 0.070827 2.838806 27 124 124 N -2.878063 0.001442 2.255851 27 123 125 N 7.002590 -3.643543 -5.231483 27 126 126 N 6.675384 -3.609765 -6.303344 27 125 127 N -2.632760 -7.246980 -7.971423 27 128 128 N -1.518717 -7.142484 -8.042681 27 127 129 N -8.326510 -6.095349 -5.893715 27 130 130 N -8.248444 -7.090823 -6.403641 27 129 131 N 3.258671 -2.958649 -3.843658 27 132 132 N 2.952136 -3.660797 -4.662262 27 131 133 N -5.543096 7.954346 -1.446184 27 134 134 N -6.411254 7.709715 -2.112176 27 133 135 N 1.288921 -8.594872 -1.413237 27 136 136 N 1.850840 -8.843288 -0.475353 27 135 137 N 7.332864 3.605595 -8.213803 27 138 138 N 7.705260 2.571140 -8.433609 27 137 139 N -4.305764 -4.803170 -5.784323 27 140 140 N -3.503422 -4.149914 -6.216290 27 139 141 N -5.897821 7.599692 6.450586 27 142 142 N -5.135788 6.777670 6.476557 27 141 143 N -6.012406 0.306546 2.367114 27 144 144 N -6.608607 1.252209 2.281349 27 143 145 N -5.184941 -5.433835 6.937442 27 146 146 N -4.208984 -5.953945 7.122060 27 145 147 N -5.408058 1.078024 -4.918075 27 148 148 N -4.611147 0.296274 -5.022424 27 147 149 N 4.105109 0.151125 -0.185440 27 150 150 N 4.192985 -0.958227 -0.048669 27 149 151 N 8.118679 -1.323249 -8.647221 27 152 152 N 8.657328 -0.661872 -7.919537 27 151 153 N 3.571090 -6.979182 -7.389500 27 154 154 N 2.552141 -6.749848 -6.981777 27 153 155 N 6.403516 6.211986 1.127568 27 156 156 N 6.496608 7.327453 1.192051 27 155 157 N -8.210867 -8.071416 5.972990 27 158 158 N -9.238941 -7.688049 6.203604 27 157 159 N 0.264602 8.453927 -7.456797 27 160 160 N 1.352581 8.370347 -7.714493 27 159 161 N 0.845312 -5.827589 6.904289 27 162 162 N -0.069408 -5.796788 7.551920 27 161 163 N -0.058014 6.513627 6.969839 27 164 164 N 0.657950 6.739988 7.802453 27 163 165 N -2.531529 -5.243339 -2.687654 27 166 166 N -2.050705 -4.246025 -2.864461 27 165 167 N 6.752620 -4.916598 4.036388 27 168 168 N 6.334062 -4.575443 5.018992 27 167 169 N -3.354699 -2.475728 8.610808 27 170 170 N -3.536537 -1.624798 9.317874 27 169 171 N 2.407550 1.513934 -4.174763 27 172 172 N 2.349782 2.542067 -4.618266 27 171 173 N 5.790790 3.093438 5.726356 27 174 174 N 6.504467 2.981745 4.868873 27 173 175 N -7.235038 -2.736101 -3.881744 27 176 176 N -7.175616 -2.950249 -4.980698 27 175 177 N 1.253474 1.923756 -0.495668 27 178 178 N 0.523888 1.401213 0.176449 27 177 179 N 7.603233 9.070180 8.392118 27 180 180 N 6.557066 8.746611 8.632797 27 179 181 N 1.144938 -1.883375 -0.807693 27 182 182 N 0.393911 -2.195630 -1.579410 27 181 183 N -7.926573 -5.814903 2.051490 27 184 184 N -7.463188 -6.338609 1.175080 27 183 185 N -8.763699 7.675555 2.819651 27 186 186 N -8.873405 8.728308 3.189468 27 185 187 N 2.256378 -0.638795 -7.719809 27 188 188 N 1.890153 0.322464 -7.273772 27 187 189 N 4.958780 -0.755587 3.429336 27 190 190 N 4.926780 -1.876325 3.425927 27 189 191 N -0.939353 7.036806 -4.866752 27 192 192 N -1.555346 6.193074 -4.459619 27 191 193 N 4.307368 -8.836698 1.945747 27 194 194 N 4.068629 -8.038413 1.195524 27 193 195 N 3.641997 2.171832 8.460082 27 196 196 N 2.817614 2.714539 7.928152 27 195 197 N -5.477033 -2.524159 4.412867 27 198 198 N -5.536664 -2.629327 3.298203 27 197 199 N 6.782065 -6.038206 1.093451 27 200 200 N 6.014346 -5.254888 0.860839 27 199 201 N -6.766565 1.151292 8.359830 27 202 202 N -6.805943 0.090510 8.720777 27 201 203 N -1.990079 8.353522 -1.737193 27 204 204 N -1.764945 7.464819 -1.091739 27 203 205 N 7.005255 -8.344237 -4.594931 27 206 206 N 6.439437 -7.819876 -5.408555 27 205 207 N 8.472592 4.394836 -2.415445 27 208 208 N 8.589320 5.325885 -1.801760 27 207 209 N -6.740720 3.309685 5.414279 27 210 210 N -6.061650 4.112932 5.026016 27 209 211 N -4.191498 -0.053562 6.439090 27 212 212 N -4.321934 0.743840 5.661770 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.481173 3.330502 0.042802 27 2 2 N -6.430141 3.625819 -0.212556 27 1 3 N -8.711198 0.486085 -2.631632 27 4 4 N -9.554064 1.148957 -2.304116 27 3 5 N -3.560793 -3.677979 -0.848690 27 6 6 N -4.391938 -3.633780 -1.599911 27 5 7 N 8.465457 -9.223096 -1.555938 27 8 8 N 8.448234 -8.873199 -0.490872 27 7 9 N -0.363146 4.325806 -8.327999 27 10 10 N -1.223143 4.964978 -8.658080 27 9 11 N -2.654417 -8.591972 6.973001 27 12 12 N -1.591588 -8.947134 7.009646 27 11 13 N 5.454634 -2.381299 -1.407548 27 14 14 N 4.823265 -2.834981 -2.215407 27 13 15 N -3.597908 7.276050 -7.609347 27 16 16 N -3.696205 7.586987 -8.682075 27 15 17 N -6.136330 -8.740573 -8.576346 27 18 18 N -7.037191 -8.080834 -8.677755 27 17 19 N 5.127186 7.163335 8.697073 27 20 20 N 4.836188 6.381280 7.948207 27 19 21 N -3.827416 4.683511 -2.579759 27 22 22 N -4.448399 5.569361 -2.285244 27 21 23 N 3.899829 8.959326 -4.618378 27 24 24 N 3.097075 8.240789 -4.307926 27 23 25 N -2.821654 0.482707 -6.866141 27 26 26 N -1.740613 0.467470 -7.163138 27 25 27 N -0.737438 -3.834559 -6.755992 27 28 28 N -0.059389 -3.354783 -7.509087 27 27 29 N 3.295868 3.302345 1.710357 27 30 30 N 4.145515 3.854101 1.229989 27 29 31 N 1.970884 4.883825 -3.076516 27 32 32 N 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27 81 83 N -0.699505 8.541781 3.284842 27 84 84 N 0.391671 8.788702 3.210985 27 83 85 N 4.752617 -5.880709 -3.025104 27 86 86 N 4.076685 -6.614346 -2.513263 27 85 87 N 1.295141 2.799679 4.869527 27 88 88 N 0.426329 2.767365 4.161565 27 87 89 N -3.507035 -8.569113 -4.473766 27 90 90 N -3.512436 -8.939436 -3.415502 27 89 91 N 8.934689 -0.069823 3.321305 27 92 92 N 8.553912 -0.916394 2.692485 27 91 93 N -1.863548 -4.551482 3.245793 27 94 94 N -0.968732 -4.730484 3.897215 27 93 95 N -3.961546 3.828038 -5.746236 27 96 96 N -2.861610 4.045183 -5.737267 27 95 97 N 6.772980 -0.812808 -4.346939 27 98 98 N 5.933237 -0.354141 -4.931358 27 97 99 N -0.844012 1.729104 7.341920 27 100 100 N -1.080343 0.695306 7.705925 27 99 101 N -4.930941 6.779913 2.846253 27 102 102 N -4.613811 7.045389 1.804121 27 101 103 N -8.239687 4.991895 -8.614398 27 104 104 N -7.830669 5.933727 -8.164123 27 103 105 N -0.864023 3.119540 -2.389051 27 106 106 N -0.611910 2.667122 -3.383458 27 105 107 N 2.552163 -5.335779 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-3.891286 -4.496017 27 132 132 N 2.766774 -3.331463 -5.330526 27 131 133 N -6.400053 8.365747 -1.730090 27 134 134 N -6.736683 7.434484 -1.204240 27 133 135 N 1.190445 -9.067336 -2.015435 27 136 136 N 0.472897 -8.213330 -2.128961 27 135 137 N 6.958198 3.847281 9.420763 27 138 138 N 6.893239 3.308643 8.439570 27 137 139 N -4.369313 -3.468886 -5.357559 27 140 140 N -3.742187 -2.874264 -4.643255 27 139 141 N -6.058173 7.169853 6.380039 27 142 142 N -5.211164 7.904394 6.369341 27 141 143 N -6.367357 0.241234 1.703112 27 144 144 N -5.877978 1.058041 2.295079 27 143 145 N -5.384095 -5.278394 6.767005 27 146 146 N -5.486605 -4.230619 6.381323 27 145 147 N -5.903814 1.309006 -4.321961 27 148 148 N -6.784333 1.599797 -4.952212 27 147 149 N 3.673594 0.083914 -0.285967 27 150 150 N 3.985802 -0.061655 0.781003 27 149 151 N 7.646738 -1.606729 -8.867202 27 152 152 N 6.565109 -1.354290 -9.020299 27 151 153 N 4.357992 -8.121485 -7.775781 27 154 154 N 5.108672 -7.498914 -7.222632 27 153 155 N 7.420372 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-8.450160 27 180 180 N 8.468160 8.046656 -9.469827 27 179 181 N 1.235810 -2.125402 -0.544375 27 182 182 N 0.159068 -1.834896 -0.428947 27 181 183 N -7.127328 -7.454925 0.918005 27 184 184 N -8.081123 -7.079718 1.372522 27 183 185 N -8.464390 8.562409 4.479991 27 186 186 N -8.067895 8.752489 3.448609 27 185 187 N 2.144088 -0.732098 -6.839692 27 188 188 N 2.963583 -0.050260 -7.186988 27 187 189 N 5.403692 -1.020711 3.998584 27 190 190 N 4.426338 -1.524957 3.780394 27 189 191 N -0.329927 7.020678 -5.166129 27 192 192 N -1.137667 6.666090 -4.474093 27 191 193 N 3.951718 -8.720469 0.414430 27 194 194 N 2.920437 -8.340791 0.636677 27 193 195 N 2.852004 2.949469 7.963391 27 196 196 N 3.695736 2.688596 8.654151 27 195 197 N -5.230640 -3.425482 2.961026 27 198 198 N -5.083739 -4.431418 2.488158 27 197 199 N 6.870039 -4.513741 3.018283 27 200 200 N 6.724930 -5.612499 2.848688 27 199 201 N -6.622681 0.515305 8.748711 27 202 202 N -5.918387 0.141927 7.960263 27 201 203 N -1.534663 7.455988 -1.451535 27 204 204 N -1.551942 7.380655 -0.333002 27 203 205 N 8.037587 -8.338267 -5.497370 27 206 206 N 7.379736 -8.975335 -4.850480 27 205 207 N 8.627332 5.538040 -2.361276 27 208 208 N 9.401734 4.907172 -2.870586 27 207 209 N -4.709130 3.374761 5.114952 27 210 210 N -4.343573 2.652033 5.890273 27 209 211 N -3.496580 -1.103677 5.330933 27 212 212 N -4.547201 -0.878868 5.010393 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.015869 2.957804 0.666563 27 2 2 N -5.923448 3.103739 0.460631 27 1 3 N -7.724307 0.292452 -2.980921 27 4 4 N -7.921210 0.940215 -2.087208 27 3 5 N -4.439121 -3.172187 -0.961520 27 6 6 N -5.117289 -4.011243 -0.656293 27 5 7 N 7.967451 -7.640038 0.965365 27 8 8 N 8.651923 -8.063030 0.184555 27 7 9 N -1.712780 4.926778 -8.507093 27 10 10 N -1.034370 5.483302 -9.205040 27 9 11 N -1.887847 -8.399955 7.703301 27 12 12 N -2.486636 -9.272094 8.074668 27 11 13 N 4.273338 -3.328961 -0.682463 27 14 14 N 4.987606 -3.864077 -1.361110 27 13 15 N -2.810512 8.446492 -6.546102 27 16 16 N -3.811261 8.669471 -6.999832 27 15 17 N -6.808639 -8.508050 -8.144683 27 18 18 N -6.511394 -7.960599 -9.076902 27 17 19 N 4.444939 7.209301 7.949128 27 20 20 N 4.278728 6.426939 7.163397 27 19 21 N -4.502117 5.038342 -2.179956 27 22 22 N -3.740195 5.780366 -1.825042 27 21 23 N 3.849390 7.608386 -5.809379 27 24 24 N 4.133591 8.674130 -5.608107 27 23 25 N -3.291669 1.861299 -8.306090 27 26 26 N -2.818056 0.855366 -8.450582 27 25 27 N -1.139039 -2.325827 -6.884763 27 28 28 N -0.168712 -2.313048 -7.446360 27 27 29 N 4.756259 2.921370 1.098286 27 30 30 N 4.614605 3.928009 1.571256 27 29 31 N 3.333353 4.615362 -3.661192 27 32 32 N 2.262226 4.284215 -3.672078 27 31 33 N 1.352854 -6.320188 1.676869 27 34 34 N 0.503820 -6.911082 1.244348 27 33 35 N 8.477210 1.552686 6.709211 27 36 36 N 8.683951 1.699632 5.617078 27 35 37 N -8.367444 -3.860742 -0.099296 27 38 38 N -8.725696 -4.726150 0.516995 27 37 39 N 2.736203 4.662316 -7.129883 27 40 40 N 2.673263 5.571918 -7.782381 27 39 41 N -6.614927 9.211703 -5.092835 27 42 42 N -6.497153 8.101488 -5.196001 27 41 43 N 8.068872 -5.223511 -2.899152 27 44 44 N 8.343112 -4.168364 -3.160969 27 43 45 N 7.471819 1.565412 -4.852086 27 46 46 N 6.397088 1.674419 -4.551819 27 45 47 N 7.560751 5.313927 -5.370132 27 48 48 N 6.519223 5.712677 -5.254775 27 47 49 N -8.976119 -2.036030 8.273522 27 50 50 N -8.373324 -1.915763 7.335833 27 49 51 N -2.964984 -7.577652 0.438541 27 52 52 N -2.675618 -6.581817 0.012313 27 51 53 N 5.024356 7.525535 -2.156883 27 54 54 N 6.055405 7.155276 -1.918268 27 53 55 N 1.656075 -1.386246 6.327156 27 56 56 N 2.214896 -0.765340 7.075010 27 55 57 N -5.668107 4.270466 8.163878 27 58 58 N -4.602123 4.256453 8.511109 27 57 59 N -0.853307 0.605068 -3.691154 27 60 60 N -0.689761 0.533511 -4.798052 27 59 61 N 1.263469 5.390637 -0.588974 27 62 62 N 2.350095 5.625446 -0.443371 27 61 63 N -6.736480 3.649940 4.940648 27 64 64 N -7.020021 3.774788 3.863101 27 63 65 N -9.006076 -5.421118 9.199775 27 66 66 N -8.552734 -5.305760 8.180823 27 65 67 N 2.293923 -6.522057 -6.379999 27 68 68 N 1.321271 -5.964951 -6.354087 27 67 69 N -2.671078 4.299693 4.462198 27 70 70 N -3.700344 3.899455 4.655875 27 69 71 N 1.691263 -2.001957 2.996086 27 72 72 N 1.599600 -1.005158 2.491029 27 71 73 N 2.904297 -3.060024 -7.993823 27 74 74 N 3.383554 -2.072277 -7.766313 27 73 75 N -2.578229 4.054391 0.925286 27 76 76 N -1.606880 4.592384 1.080637 27 75 77 N 7.601391 1.532429 1.943910 27 78 78 N 8.652685 1.150448 2.021115 27 77 79 N 6.293852 -8.101093 5.508169 27 80 80 N 6.767532 -7.356127 6.199357 27 79 81 N -3.856598 0.622382 -2.220995 27 82 82 N -4.371775 1.586162 -2.471620 27 81 83 N -1.028175 9.298413 3.473707 27 84 84 N -1.467498 8.533945 4.166291 27 83 85 N 4.422635 -7.119646 -3.255448 27 86 86 N 3.633931 -6.575130 -2.673608 27 85 87 N 1.154920 3.381992 2.774491 27 88 88 N 0.403184 2.774879 3.343168 27 87 89 N -2.649861 8.898023 -2.527236 27 90 90 N -3.701021 8.713264 -2.870772 27 89 91 N -8.263852 -1.626329 4.119794 27 92 92 N -8.958886 -2.163926 3.423373 27 91 93 N -1.586187 -5.205557 3.299256 27 94 94 N -0.842595 -5.246736 4.137388 27 93 95 N -3.369081 4.344338 -5.524790 27 96 96 N -3.922813 5.303071 -5.347864 27 95 97 N 5.763491 -1.393715 -4.975656 27 98 98 N 5.960458 -1.946713 -4.020415 27 97 99 N -1.242747 1.670180 6.202641 27 100 100 N -2.250881 1.180647 6.169255 27 99 101 N -5.622660 6.005635 1.942784 27 102 102 N -5.115481 6.968370 1.672597 27 101 103 N -8.990259 2.958417 -7.705977 27 104 104 N -8.140284 3.604105 -8.049081 27 103 105 N -1.148278 3.842532 -2.771956 27 106 106 N -1.183276 3.326484 -1.777190 27 105 107 N 2.985589 -4.996655 4.724651 27 108 108 N 3.488147 -4.388679 5.521451 27 107 109 N 6.720756 3.489848 -1.702464 27 110 110 N 7.325406 2.605594 -1.371432 27 109 111 N -5.284428 -2.899586 -7.516968 27 112 112 N -5.840184 -3.005543 -8.484954 27 111 113 N -5.928483 -6.866866 -2.308130 27 114 114 N -4.865950 -6.792141 -2.658173 27 113 115 N 5.502491 6.780459 3.371427 27 116 116 N 4.869182 7.327009 2.624909 27 115 117 N 3.048840 -8.065776 6.429700 27 118 118 N 2.395771 -8.911921 6.091132 27 117 119 N 7.497421 5.329470 5.665376 27 120 120 N 8.391615 4.965018 5.095566 27 119 121 N -5.115190 -8.915676 4.015395 27 122 122 N -4.311217 -8.143429 4.135198 27 121 123 N -2.159883 -1.997475 1.912415 27 124 124 N -3.229860 -2.295539 1.759450 27 123 125 N 5.180152 -4.684985 -5.743804 27 126 126 N 5.825725 -5.601678 -5.743041 27 125 127 N -2.472632 -5.434435 -7.811056 27 128 128 N -3.166258 -6.315327 -7.811931 27 127 129 N -7.805343 -5.769155 -5.612057 27 130 130 N -6.698535 -5.628151 -5.722430 27 129 131 N 2.805261 -2.303026 -4.082373 27 132 132 N 2.006288 -2.553256 -4.828105 27 131 133 N -7.090533 7.685450 -1.419799 27 134 134 N -7.469478 6.816210 -0.821543 27 133 135 N 0.619424 -8.498075 -2.153427 27 136 136 N 0.660637 -8.305542 -3.257204 27 135 137 N 6.235907 4.391172 -8.596547 27 138 138 N 6.482198 3.834585 -9.538163 27 137 139 N -6.556472 -3.020135 -3.723821 27 140 140 N -5.731358 -2.332502 -4.045440 27 139 141 N -5.856493 7.989453 6.736057 27 142 142 N -5.317299 7.142023 6.237838 27 141 143 N -5.876104 -0.293626 0.474383 27 144 144 N -6.622234 -0.758194 1.170484 27 143 145 N -4.797359 -5.227646 7.329922 27 146 146 N -5.279917 -5.682014 6.425612 27 145 147 N -5.756700 1.018196 -5.644683 27 148 148 N -6.278178 0.302780 -6.332673 27 147 149 N 5.220451 -0.636203 0.355126 27 150 150 N 4.889677 -0.903118 1.392640 27 149 151 N 6.027138 -0.089054 -8.681352 27 152 152 N 5.488201 0.564171 -7.946552 27 151 153 N 5.279167 -6.939485 -9.199328 27 154 154 N 4.197019 -6.848414 -8.920486 27 153 155 N 7.868813 5.076293 0.955864 27 156 156 N 7.784069 6.192867 1.012193 27 155 157 N -8.250684 -5.987335 4.957961 27 158 158 N -8.595846 -4.999863 4.554415 27 157 159 N 0.818841 8.574031 -8.649937 27 160 160 N 1.678269 8.926013 -8.021778 27 159 161 N 0.498398 -5.796809 8.106407 27 162 162 N 0.228314 -4.708628 8.103913 27 161 163 N -0.058432 5.503484 5.220764 27 164 164 N 0.510262 6.129474 5.956844 27 163 165 N -1.696839 -4.999837 -4.239825 27 166 166 N -0.953000 -4.230513 -3.905265 27 165 167 N 6.149799 -3.813006 7.641351 27 168 168 N 5.268930 -3.457123 8.236754 27 167 169 N -1.439715 -1.924551 7.022905 27 170 170 N -1.790436 -2.048271 8.080628 27 169 171 N 3.033798 0.103953 -2.048105 27 172 172 N 4.014229 0.595290 -2.281409 27 171 173 N 5.123006 2.328845 5.535024 27 174 174 N 4.217862 1.667201 5.540361 27 173 175 N -8.750283 -2.862037 -6.597392 27 176 176 N -9.380791 -1.984314 -6.895976 27 175 177 N 0.118459 0.144387 -0.582921 27 178 178 N -0.223468 0.853684 0.215247 27 177 179 N 8.080482 8.422250 8.249188 27 180 180 N 8.711079 7.602894 7.815493 27 179 181 N 0.638419 -3.999800 -1.209134 27 182 182 N 0.371963 -3.704575 -0.160833 27 181 183 N -7.213478 -7.354053 2.124278 27 184 184 N -6.667077 -8.003242 1.391414 27 183 185 N -8.074602 8.022465 3.844049 27 186 186 N -8.868730 8.682841 4.280344 27 185 187 N 2.337358 1.561373 -5.822059 27 188 188 N 1.993137 1.260073 -6.845690 27 187 189 N 5.735648 -1.997385 4.627261 27 190 190 N 4.660341 -1.682570 4.668450 27 189 191 N -0.334952 6.718001 -4.695498 27 192 192 N 0.049323 6.515856 -5.729210 27 191 193 N 3.360794 -8.524987 0.530914 27 194 194 N 4.087202 -7.963815 1.174737 27 193 195 N 2.714705 3.216252 8.070417 27 196 196 N 1.750270 3.395598 7.527474 27 195 197 N -5.558077 -3.904438 3.614416 27 198 198 N -5.249219 -4.857604 3.111252 27 197 199 N 6.805142 -5.217649 3.046817 27 200 200 N 6.605600 -4.196348 2.629427 27 199 201 N -6.505036 0.758740 7.895492 27 202 202 N -6.206532 1.207751 6.912447 27 201 203 N -1.454101 7.703297 0.492169 27 204 204 N -0.533199 8.319803 0.322023 27 203 205 N 7.512571 -9.178743 -6.124376 27 206 206 N 7.418227 -8.298055 -6.811819 27 205 207 N -7.739394 3.696955 -3.908618 27 208 208 N -7.564610 4.754045 -3.578312 27 207 209 N -4.679439 1.136344 3.285570 27 210 210 N -3.590291 0.899760 3.163605 27 209 211 N -5.081475 -1.484054 5.329997 27 212 212 N -5.348786 -2.146654 6.194054 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.163091 3.705283 0.744237 27 2 2 N -7.006642 4.255607 0.251639 27 1 3 N 8.544464 0.468722 -1.773795 27 4 4 N 9.198301 0.903316 -0.973348 27 3 5 N -2.659355 -1.809640 -1.140878 27 6 6 N -2.938712 -2.477560 -1.996993 27 5 7 N 7.548459 -8.652755 1.640828 27 8 8 N 8.003763 -8.325956 0.669751 27 7 9 N -1.594567 5.722285 7.046498 27 10 10 N -1.038557 5.659821 8.018116 27 9 11 N -1.530906 -8.308236 7.182674 27 12 12 N -2.189177 -9.018077 6.617083 27 11 13 N 3.894190 -2.616538 -1.050182 27 14 14 N 4.384100 -1.898631 -0.341883 27 13 15 N -2.960676 8.365446 -8.101524 27 16 16 N -2.911964 7.517109 -7.370060 27 15 17 N -7.458751 -8.721211 -8.241558 27 18 18 N -6.367319 -8.560671 -8.441788 27 17 19 N 4.382551 6.839183 6.955989 27 20 20 N 5.105759 5.983955 7.007405 27 19 21 N -3.124888 5.390885 -3.257808 27 22 22 N -4.111454 5.070090 -2.832523 27 21 23 N 4.478828 8.755274 -5.992287 27 24 24 N 3.370439 8.906687 -5.917205 27 23 25 N -1.944645 2.034697 -7.912570 27 26 26 N -1.966198 2.925127 -8.593568 27 25 27 N -0.736547 -1.608720 -6.028331 27 28 28 N -0.253027 -1.315934 -6.996614 27 27 29 N 5.449491 2.108027 2.190573 27 30 30 N 4.347876 2.289955 2.292727 27 29 31 N 4.236153 4.873201 -3.960517 27 32 32 N 3.872866 5.537815 -4.787197 27 31 33 N 1.523390 -6.292305 2.367468 27 34 34 N 0.862661 -5.536519 1.868153 27 33 35 N -8.255287 0.766166 6.691688 27 36 36 N -8.846008 1.580313 7.186969 27 35 37 N 8.505859 -4.569887 0.534073 27 38 38 N 9.037099 -3.670367 0.941182 27 37 39 N 2.450458 6.096135 -8.121807 27 40 40 N 2.297882 4.993668 -7.986248 27 39 41 N -6.248389 8.719481 -4.860812 27 42 42 N -6.221193 7.599531 -4.906213 27 41 43 N 8.648951 -3.864308 -3.305658 27 44 44 N 7.684556 -4.434749 -3.265288 27 43 45 N 7.367767 1.881802 -5.199252 27 46 46 N 6.950837 1.142342 -4.466818 27 45 47 N 8.114631 7.529520 -5.181707 27 48 48 N 8.469698 7.228809 -6.201800 27 47 49 N -7.319365 -2.349836 7.812076 27 50 50 N -8.312318 -2.541132 7.327784 27 49 51 N -1.908678 -8.262197 -0.232940 27 52 52 N -2.955885 -8.205015 0.163516 27 51 53 N 5.240193 7.595506 -1.479226 27 54 54 N 6.124365 7.364982 -0.829467 27 53 55 N 1.975392 -0.771480 6.686155 27 56 56 N 1.373709 -1.481926 7.310922 27 55 57 N -7.590050 4.933575 9.269556 27 58 58 N -8.179812 4.595505 8.377940 27 57 59 N -1.443922 1.635321 -3.937336 27 60 60 N -2.287073 1.913517 -4.622020 27 59 61 N 3.669909 5.287222 0.550514 27 62 62 N 2.937895 5.222262 -0.296261 27 61 63 N -6.782199 4.874728 5.187319 27 64 64 N -7.215728 4.119850 4.480707 27 63 65 N -8.470094 -5.753341 8.888347 27 66 66 N -8.637482 -5.768285 7.779813 27 65 67 N 1.394500 -5.060349 -6.056582 27 68 68 N 1.810579 -6.100349 -6.105248 27 67 69 N -2.704292 4.522618 3.882850 27 70 70 N -3.481180 4.395100 4.681144 27 69 71 N 1.939313 -2.012228 2.803158 27 72 72 N 1.956670 -2.501613 1.794549 27 71 73 N 3.045344 -2.804658 -8.300139 27 74 74 N 3.333029 -1.743515 -8.080359 27 73 75 N -1.768115 3.270849 0.489809 27 76 76 N -0.902258 3.240138 1.201452 27 75 77 N 8.961430 2.279992 2.223860 27 78 78 N 8.550651 1.363444 2.722146 27 77 79 N 7.254148 -7.497080 5.770663 27 80 80 N 6.166329 -7.593500 5.516811 27 79 81 N -4.881240 0.968883 -2.228860 27 82 82 N -4.605190 1.872662 -1.625477 27 81 83 N -0.331243 8.656401 2.649644 27 84 84 N -0.417641 8.173780 3.657960 27 83 85 N 5.863727 -6.928204 -2.402829 27 86 86 N 6.216959 -7.917346 -2.010511 27 85 87 N 1.329829 1.167220 2.970385 27 88 88 N 0.285930 1.031702 3.356387 27 87 89 N -2.452902 -9.084402 -4.598828 27 90 90 N -2.664230 -9.150684 -3.499720 27 89 91 N -9.068469 -2.419579 3.757100 27 92 92 N -8.135290 -2.873193 4.181954 27 91 93 N -2.165149 -4.998954 4.829263 27 94 94 N -1.103999 -4.973142 4.468177 27 93 95 N -4.611799 4.498572 -6.159210 27 96 96 N -5.038744 3.572262 -5.693637 27 95 97 N 4.932092 -1.570358 -4.303137 27 98 98 N 5.936437 -1.744844 -3.836304 27 97 99 N -1.422801 1.790394 6.208340 27 100 100 N -2.162988 1.198365 5.609412 27 99 101 N -5.295951 6.288059 2.464609 27 102 102 N -4.574835 6.483326 1.628576 27 101 103 N -8.858356 1.589306 -7.688735 27 104 104 N -8.162930 2.349984 -7.247329 27 103 105 N 0.616703 3.555599 -2.596952 27 106 106 N 0.417041 4.635594 -2.822416 27 105 107 N 3.291134 -5.173548 5.434912 27 108 108 N 3.136802 -4.655784 4.452470 27 107 109 N 6.295914 3.069289 -0.872812 27 110 110 N 6.881819 3.605454 -1.664222 27 109 111 N -4.882817 -2.527499 -7.180513 27 112 112 N -3.797684 -2.520217 -6.898515 27 111 113 N -6.252328 -6.153319 -2.281596 27 114 114 N -7.129243 -5.752510 -1.709352 27 113 115 N 4.997596 6.967318 3.507019 27 116 116 N 5.023388 7.624641 2.599081 27 115 117 N 2.442185 -8.332191 5.352431 27 118 118 N 2.797455 -9.005018 4.528917 27 117 119 N 7.551502 4.739128 5.419507 27 120 120 N 7.035817 4.064745 4.687136 27 119 121 N -3.392652 -8.113841 3.304364 27 122 122 N -4.127879 -8.891204 3.639385 27 121 123 N -1.333681 -1.668989 2.407141 27 124 124 N -1.850264 -2.517400 1.887112 27 123 125 N 4.898325 -4.472016 -5.623440 27 126 126 N 5.255253 -5.533973 -5.579385 27 125 127 N -3.455427 -5.669491 -8.530991 27 128 128 N -3.327130 -6.433462 -7.720450 27 127 129 N -7.589019 -5.761341 -5.473879 27 130 130 N -6.663237 -5.713275 -6.104520 27 129 131 N 1.425757 -0.955369 -3.191721 27 132 132 N 1.814348 -1.422730 -4.133878 27 131 133 N -9.194235 7.594453 -1.727784 27 134 134 N -8.198170 8.000777 -1.411804 27 133 135 N 0.724197 -7.982904 -3.495935 27 136 136 N 0.341549 -7.530565 -2.544064 27 135 137 N 6.866037 4.585795 -7.526855 27 138 138 N 5.750991 4.700784 -7.550096 27 137 139 N -6.598440 -1.970810 -2.465967 27 140 140 N -6.108825 -2.893101 -2.874314 27 139 141 N -5.760678 8.314782 6.485889 27 142 142 N -5.519022 7.676028 7.375094 27 141 143 N -6.093821 -1.541862 0.655050 27 144 144 N -6.820161 -1.017226 1.329051 27 143 145 N -5.434283 -6.182361 7.290874 27 146 146 N -5.134305 -5.229532 6.781739 27 145 147 N -5.832278 0.521742 -5.481963 27 148 148 N -6.803870 0.522932 -4.922413 27 147 149 N 6.449658 -2.279522 2.193307 27 150 150 N 5.738240 -1.729985 2.863369 27 149 151 N 5.425885 1.942993 -9.078559 27 152 152 N 6.123310 1.237748 -8.555762 27 151 153 N 3.995277 -7.734970 9.129087 27 154 154 N 4.074474 -8.719757 8.598982 27 153 155 N 8.330550 5.874344 0.825264 27 156 156 N 7.573947 5.355692 1.469968 27 155 157 N -7.959109 -6.868311 4.325015 27 158 158 N -8.542259 -6.651064 3.392370 27 157 159 N 0.729576 -8.525028 -8.222033 27 160 160 N 0.572731 -9.557380 -8.630370 27 159 161 N 0.155918 -5.469646 8.841822 27 162 162 N 0.273563 -4.981961 7.839120 27 161 163 N 0.451170 4.353674 4.889689 27 164 164 N 1.094967 4.997541 5.543945 27 163 165 N -2.933623 -5.252880 -3.381975 27 166 166 N -3.466196 -4.803613 -4.260390 27 165 167 N 6.848512 -4.351371 -9.179053 27 168 168 N 6.029959 -3.629517 -8.922177 27 167 169 N -2.392242 -2.483580 6.970489 27 170 170 N -2.540254 -1.839828 7.876450 27 169 171 N 3.275778 2.385052 -1.347472 27 172 172 N 3.499648 1.362015 -1.747929 27 171 173 N 4.234351 2.939760 5.742283 27 174 174 N 3.293382 2.335218 5.820982 27 173 175 N 8.604411 -1.789464 -7.077282 27 176 176 N 8.034453 -2.145821 -6.179926 27 175 177 N 0.165645 -0.270245 -0.314488 27 178 178 N 0.697000 0.671776 -0.018943 27 177 179 N 7.953318 7.360109 8.166427 27 180 180 N 8.429365 8.176431 7.563031 27 179 181 N 0.982787 -4.444486 -1.287898 27 182 182 N 0.076415 -3.895948 -1.654895 27 181 183 N -6.378905 -9.208277 1.161287 27 184 184 N -6.688169 -8.314053 0.559782 27 183 185 N 9.582477 7.749215 3.572593 27 186 186 N 8.531709 7.644891 3.949544 27 185 187 N 3.622326 2.098708 -5.385333 27 188 188 N 3.134466 1.389332 -6.103573 27 187 189 N 6.278343 -1.903917 6.199778 27 190 190 N 5.924379 -0.933903 6.636669 27 189 191 N -0.080318 6.750477 -5.589452 27 192 192 N -0.743133 5.878094 -5.827601 27 191 193 N 2.505185 9.624651 0.064705 27 194 194 N 2.317890 8.639509 0.566208 27 193 195 N 2.058675 1.384693 -9.179827 27 196 196 N 1.298354 2.147971 -8.869336 27 195 197 N -5.280796 -3.977444 2.303106 27 198 198 N -5.613690 -5.002219 1.993089 27 197 199 N 5.091571 -6.052765 0.793907 27 200 200 N 5.017675 -5.232336 1.554514 27 199 201 N -5.565937 1.442206 9.234237 27 202 202 N -4.926266 1.545259 8.319200 27 201 203 N -0.906781 7.050486 -0.704257 27 204 204 N -0.300988 7.561217 -1.497515 27 203 205 N 7.505230 -8.018802 -7.440167 27 206 206 N 7.201268 -7.825474 -8.501921 27 205 207 N -8.737942 4.390484 -4.673596 27 208 208 N -7.890615 3.935265 -4.097488 27 207 209 N -5.635622 1.103853 3.415454 27 210 210 N -4.619012 1.402327 3.048702 27 209 211 N -4.578884 -1.793537 4.803468 27 212 212 N -5.349652 -1.685636 5.610539 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.347044 5.267476 -0.963324 27 2 2 N -6.981396 5.197135 0.094240 27 1 3 N 8.163030 -0.160465 -1.879376 27 4 4 N 9.043082 0.520725 -1.743077 27 3 5 N -2.698754 -1.192026 -1.567985 27 6 6 N -2.108686 -0.514845 -0.896915 27 5 7 N 7.704797 -8.841044 1.079980 27 8 8 N 6.745768 -8.289512 0.897866 27 7 9 N -1.398827 6.034256 7.871234 27 10 10 N -1.633459 5.044263 8.342351 27 9 11 N -1.525743 -8.688524 7.902219 27 12 12 N -1.826813 -8.317323 6.887993 27 11 13 N 4.684454 -2.854577 -0.536900 27 14 14 N 4.270121 -2.443135 0.420249 27 13 15 N -3.281058 8.034882 -7.915203 27 16 16 N -3.679796 7.668772 -8.897069 27 15 17 N -7.381828 -8.691255 8.918137 27 18 18 N -6.373113 -8.269204 8.670231 27 17 19 N 4.581150 6.710616 7.474465 27 20 20 N 5.221896 5.853880 7.809930 27 19 21 N -3.476918 4.483517 -3.358285 27 22 22 N -4.066050 5.287506 -2.844852 27 21 23 N 4.804145 8.465968 -4.851154 27 24 24 N 3.758206 8.542959 -5.247607 27 23 25 N -1.922289 2.327169 -7.431671 27 26 26 N -1.324670 1.949497 -8.301903 27 25 27 N -0.906646 -0.648240 -6.552900 27 28 28 N -1.463858 -1.508974 -7.006486 27 27 29 N 4.762243 1.445705 1.509846 27 30 30 N 4.599811 0.839180 2.438733 27 29 31 N 3.968077 4.879544 -3.998052 27 32 32 N 4.983940 4.477350 -3.746351 27 31 33 N -0.387355 -6.980733 2.334105 27 34 34 N -1.351852 -6.828751 1.782983 27 33 35 N -7.262034 1.167076 5.767434 27 36 36 N -7.629003 1.457223 4.748495 27 35 37 N 8.743613 -3.854076 0.395313 27 38 38 N 7.768717 -4.287731 0.050912 27 37 39 N 1.543921 5.045822 -8.467415 27 40 40 N 2.485445 5.643228 -8.350242 27 39 41 N -6.735658 8.413431 -5.659127 27 42 42 N -6.380507 7.392901 -5.360001 27 41 43 N 8.680815 -3.594652 -2.856108 27 44 44 N 7.993499 -3.334404 -3.702843 27 43 45 N 7.751547 1.825986 -5.148720 27 46 46 N 7.170909 2.042384 -4.214310 27 45 47 N 7.800050 8.155409 -5.991396 27 48 48 N 7.838369 8.420224 -4.902592 27 47 49 N -5.911171 -2.710096 8.316699 27 50 50 N -6.850602 -2.101997 8.247599 27 49 51 N -3.258862 8.325289 -1.275432 27 52 52 N -3.076977 9.288037 -0.730343 27 51 53 N 4.452270 6.715861 -1.494503 27 54 54 N 4.846277 6.844939 -0.452780 27 53 55 N 0.714622 -1.281527 6.760246 27 56 56 N 1.369246 -2.095689 6.353187 27 55 57 N -9.036772 6.025363 -8.714092 27 58 58 N -8.122549 6.406845 -8.188968 27 57 59 N -3.123253 0.857906 -3.892481 27 60 60 N -3.805193 1.282475 -4.674651 27 59 61 N 2.566315 4.006245 0.215524 27 62 62 N 3.213118 3.640238 -0.623986 27 61 63 N -6.287116 5.113086 6.105660 27 64 64 N -7.400654 5.230159 6.047194 27 63 65 N -8.742405 -5.093569 7.038287 27 66 66 N -8.749255 -6.029224 6.420555 27 65 67 N 0.198284 -4.574815 -5.339979 27 68 68 N -0.011456 -5.520877 -5.903955 27 67 69 N -1.108134 3.848989 4.034608 27 70 70 N -1.111425 4.079004 5.131956 27 69 71 N 1.368950 -3.997738 2.719271 27 72 72 N 1.020551 -3.121344 3.325608 27 71 73 N 2.585818 -1.576581 -7.589895 27 74 74 N 2.708238 -1.914128 -8.652047 27 73 75 N -2.017904 3.421658 0.647716 27 76 76 N -1.120298 3.798142 0.091254 27 75 77 N 8.924182 0.662048 1.403926 27 78 78 N 8.193837 0.750140 2.250049 27 77 79 N 5.756582 -7.930907 5.602521 27 80 80 N 6.237123 -6.932400 5.431778 27 79 81 N -5.092361 2.361743 -0.897002 27 82 82 N -5.615160 2.304865 -1.887223 27 81 83 N -0.543208 7.854770 3.315523 27 84 84 N -0.718579 7.894317 2.208830 27 83 85 N 8.221693 -6.864976 -2.664979 27 86 86 N 7.188392 -7.283763 -2.546675 27 85 87 N 1.760509 0.731614 4.360561 27 88 88 N 1.632121 1.641159 3.717651 27 87 89 N -2.996304 -9.358804 -4.770445 27 90 90 N -3.434586 -8.441150 -5.242577 27 89 91 N -8.695257 -3.085964 4.541057 27 92 92 N -8.334819 -2.432909 3.703984 27 91 93 N -1.061110 -4.843603 5.430324 27 94 94 N -1.892617 -4.791859 4.679985 27 93 95 N -5.073273 4.403809 -6.206396 27 96 96 N -5.955236 3.830401 -5.818537 27 95 97 N 5.835032 -1.330589 -5.965397 27 98 98 N 5.529397 -0.578344 -5.192219 27 97 99 N -1.984576 0.669280 6.137334 27 100 100 N -1.947575 -0.165634 5.389912 27 99 101 N -3.642542 6.871612 1.670514 27 102 102 N -3.847185 5.788068 1.873352 27 101 103 N -8.635339 1.683037 -8.642331 27 104 104 N -9.137611 2.649596 -8.376668 27 103 105 N 0.421701 2.349534 -3.549105 27 106 106 N -0.352767 2.174023 -2.757597 27 105 107 N 3.316900 -4.709157 5.310709 27 108 108 N 3.841447 -4.082312 6.078175 27 107 109 N 6.954185 3.110737 -0.464941 27 110 110 N 7.388167 4.144230 -0.490257 27 109 111 N -4.808135 -1.993250 -5.643485 27 112 112 N -5.106344 -1.807483 -6.708216 27 111 113 N -5.896965 -7.694198 -1.949759 27 114 114 N -6.801668 -7.079985 -2.197442 27 113 115 N 4.409085 6.441006 2.904580 27 116 116 N 4.168140 7.535834 2.884978 27 115 117 N 2.194828 -8.170029 3.915841 27 118 118 N 1.968284 -7.923426 4.985867 27 117 119 N 7.911853 3.902274 5.997771 27 120 120 N 7.265198 4.491159 5.296242 27 119 121 N -3.933093 -8.236165 3.277551 27 122 122 N -4.876951 -7.845331 3.739579 27 121 123 N -1.569493 -1.427981 2.287847 27 124 124 N -1.971279 -2.443635 2.034657 27 123 125 N 3.611384 -5.332811 -5.468091 27 126 126 N 4.505332 -5.975170 -5.680985 27 125 127 N -4.066309 -6.263391 -7.504783 27 128 128 N -3.352605 -6.131844 -8.359424 27 127 129 N -6.530846 -5.243947 -5.924235 27 130 130 N -6.982042 -6.160183 -5.461608 27 129 131 N 2.581792 -2.209691 -3.039564 27 132 132 N 1.763624 -1.683987 -3.597529 27 131 133 N -8.407650 7.874844 -2.399673 27 134 134 N -9.447064 7.872049 -1.979317 27 133 135 N 0.739115 -7.697355 -2.975794 27 136 136 N 1.717449 -7.459485 -3.469120 27 135 137 N 5.702169 4.449609 -7.191806 27 138 138 N 6.058636 5.393654 -6.703134 27 137 139 N -5.887392 -2.624684 -2.492169 27 140 140 N -5.981426 -3.699084 -2.798624 27 139 141 N -3.400844 6.949747 5.784434 27 142 142 N -4.161697 7.429918 6.453484 27 141 143 N -5.340575 -0.764051 1.086666 27 144 144 N -6.323404 -0.519958 0.605466 27 143 145 N -4.918669 -5.652335 6.613375 27 146 146 N -5.449919 -5.277749 5.699838 27 145 147 N -7.355242 1.104045 -5.241673 27 148 148 N -7.096685 0.766633 -4.204181 27 147 149 N 5.585681 -2.844709 3.703235 27 150 150 N 6.242272 -2.041378 3.278221 27 149 151 N 5.534427 1.578977 -9.184269 27 152 152 N 5.923713 1.326523 -8.163579 27 151 153 N 3.010190 -7.877825 -8.579121 27 154 154 N 3.597673 -7.540146 -9.472388 27 153 155 N 8.545575 6.262470 2.864469 27 156 156 N 8.480232 5.296185 2.299566 27 155 157 N -7.683564 -5.946404 2.956893 27 158 158 N -8.600948 -6.483514 2.600511 27 157 159 N 0.054940 8.912674 -7.534956 27 160 160 N 0.054520 9.025893 -6.419487 27 159 161 N 1.104822 -4.580086 9.010718 27 162 162 N 0.663805 -5.305344 8.278193 27 161 163 N 1.881895 5.265666 5.874287 27 164 164 N 1.749392 5.647680 4.828534 27 163 165 N -2.756723 -4.771708 -3.584276 27 166 166 N -3.190131 -4.564996 -4.597447 27 165 167 N 6.458542 -2.292912 -8.777414 27 168 168 N 6.453533 -3.291694 -9.286823 27 167 169 N -2.704486 -3.541326 8.259493 27 170 170 N -2.626036 -2.522116 7.798902 27 169 171 N 4.917608 0.304068 -1.848012 27 172 172 N 4.125810 0.936787 -2.327397 27 171 173 N 4.769771 1.401102 6.091760 27 174 174 N 4.477695 2.482518 6.043617 27 173 175 N -8.702487 -1.498014 -6.805627 27 176 176 N -8.203998 -2.324496 -6.235078 27 175 177 N 1.404043 -0.263849 0.427392 27 178 178 N 1.318269 0.007583 -0.657070 27 177 179 N 7.203989 8.912220 8.020306 27 180 180 N 7.915691 8.894793 8.886485 27 179 181 N 0.083193 -4.382210 -0.996539 27 182 182 N 0.071957 -3.315747 -0.650674 27 181 183 N -6.830924 8.381194 0.888020 27 184 184 N -6.941237 9.475749 1.104512 27 183 185 N -8.551282 8.862090 5.975849 27 186 186 N -7.833901 8.904087 5.115216 27 185 187 N 2.670312 1.455334 -6.132259 27 188 188 N 2.627199 2.573994 -6.194143 27 187 189 N 7.660574 -0.669583 6.088514 27 190 190 N 7.637920 -0.045968 7.020009 27 189 191 N -0.625448 5.180855 -5.065802 27 192 192 N -1.540298 5.284664 -5.705616 27 191 193 N 1.686674 -8.842907 0.108376 27 194 194 N 2.776087 -8.677803 -0.099013 27 193 195 N 1.672730 1.437833 8.444354 27 196 196 N 1.131051 2.074951 7.697526 27 195 197 N -5.443339 -4.194121 0.563671 27 198 198 N -4.763045 -4.985231 0.974082 27 197 199 N 4.937335 -5.779651 2.442167 27 200 200 N 3.926949 -5.714943 1.960482 27 199 201 N -4.704999 0.906321 8.279736 27 202 202 N -4.602651 1.543742 9.196420 27 201 203 N 1.015913 6.776468 -2.090529 27 204 204 N -0.092195 6.934809 -2.026386 27 203 205 N 8.969606 -6.457722 -7.707578 27 206 206 N 7.993208 -6.208188 -8.198975 27 205 207 N -8.941350 5.330162 -4.855721 27 208 208 N -9.116620 4.676040 -3.962136 27 207 209 N -4.090943 1.985758 3.582918 27 210 210 N -4.963696 2.604191 3.246863 27 209 211 N -4.429313 -2.155381 4.493345 27 212 212 N -4.987751 -1.293755 4.943720 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.435163 3.580351 0.555725 27 2 2 N -7.935054 2.612786 0.289241 27 1 3 N 8.373882 -0.234829 -1.676827 27 4 4 N 8.675971 0.560083 -2.407543 27 3 5 N -2.511396 -1.737664 -2.443790 27 6 6 N -2.123138 -0.751170 -2.808720 27 5 7 N 7.563493 8.756696 2.470693 27 8 8 N 7.171407 8.796107 1.421024 27 7 9 N -1.102401 4.945036 8.481746 27 10 10 N -1.653648 4.209439 7.839785 27 9 11 N -2.244831 -8.127696 7.350513 27 12 12 N -1.485249 -8.944353 7.235645 27 11 13 N 3.825171 -3.069382 -0.947759 27 14 14 N 4.921102 -2.834135 -0.973902 27 13 15 N -2.821050 7.134932 -7.664498 27 16 16 N -2.930278 7.373926 -8.754471 27 15 17 N -6.010142 -8.837390 -8.856897 27 18 18 N -6.138775 -7.770438 -9.176517 27 17 19 N 6.281777 6.565384 6.119600 27 20 20 N 5.163360 6.511510 6.177297 27 19 21 N -4.308825 5.085789 -1.887065 27 22 22 N -3.201543 4.978056 -1.747744 27 21 23 N 3.792088 8.169711 -4.566192 27 24 24 N 3.373435 7.151070 -4.355973 27 23 25 N -0.645634 2.947639 -6.903071 27 26 26 N -0.308942 2.530336 -7.887747 27 25 27 N -1.382856 -1.242313 -5.889682 27 28 28 N -0.933665 -0.284190 -6.260244 27 27 29 N 3.834646 -0.646460 1.491134 27 30 30 N 3.857211 0.363981 1.976509 27 29 31 N 3.190181 3.687477 -3.623242 27 32 32 N 3.251767 4.240852 -2.650065 27 31 33 N -1.540077 -5.684328 0.203935 27 34 34 N -2.191514 -5.678739 1.116452 27 33 35 N -6.875954 2.353058 3.498074 27 36 36 N -7.219738 1.320372 3.228890 27 35 37 N 8.422866 -3.447939 0.814511 27 38 38 N 9.117196 -3.815014 0.014354 27 37 39 N 2.646943 5.726762 -7.760517 27 40 40 N 2.266213 4.692216 -7.965089 27 39 41 N -7.093828 8.377805 -5.700982 27 42 42 N -7.084775 7.932712 -4.671954 27 41 43 N 7.773819 -4.456760 -3.240576 27 44 44 N 7.484075 -4.273906 -4.308145 27 43 45 N 7.285206 1.484255 -5.803734 27 46 46 N 6.208785 1.390296 -5.504436 27 45 47 N 7.504294 -9.234802 -5.010285 27 48 48 N 6.894648 -8.296882 -5.085961 27 47 49 N -6.977191 -2.407856 8.110024 27 50 50 N -8.067649 -2.195269 7.959035 27 49 51 N -2.600128 8.818755 0.543522 27 52 52 N -2.637900 8.261916 -0.428894 27 51 53 N 5.090943 7.887487 -1.318620 27 54 54 N 5.062991 6.960763 -0.688152 27 53 55 N 2.436794 -1.141830 5.555265 27 56 56 N 1.556003 -1.817982 5.710556 27 55 57 N 7.954761 6.284106 -8.455874 27 58 58 N 8.993725 6.472088 -8.078643 27 57 59 N -3.026614 2.640068 -4.751048 27 60 60 N -4.046513 3.052435 -4.967493 27 59 61 N 3.307194 3.650202 1.053807 27 62 62 N 2.690774 4.537811 1.352585 27 61 63 N -5.191271 5.300962 7.405022 27 64 64 N -5.782001 6.190418 7.747067 27 63 65 N 7.768755 -5.754101 6.357778 27 66 66 N 8.502613 -4.920391 6.204581 27 65 67 N -0.992700 -4.743310 -5.771653 27 68 68 N -0.309783 -5.426882 -6.340375 27 67 69 N -1.036819 3.748688 4.812364 27 70 70 N -1.454376 3.390695 3.835340 27 69 71 N 1.598635 -3.071902 1.786126 27 72 72 N 2.284787 -3.886197 2.137139 27 71 73 N 1.260275 -1.807066 -8.512106 27 74 74 N 2.037415 -1.754725 -9.318583 27 73 75 N -2.052463 2.197674 -0.645382 27 76 76 N -1.340753 2.785052 -0.008559 27 75 77 N 7.519585 0.458518 1.344621 27 78 78 N 7.367931 0.637140 2.441063 27 77 79 N 5.701244 -8.443314 5.844933 27 80 80 N 5.066828 -8.254584 4.939954 27 79 81 N -5.349847 0.227073 -1.883099 27 82 82 N -5.213570 1.328833 -2.040087 27 81 83 N -0.431513 6.416347 1.730178 27 84 84 N 0.283727 6.005665 2.489692 27 83 85 N 8.469259 -8.171596 -1.211431 27 86 86 N 8.418639 -7.180838 -0.689008 27 85 87 N 0.789346 1.128258 3.323329 27 88 88 N 0.435457 0.218698 2.771465 27 87 89 N -3.430141 -8.551444 -3.717946 27 90 90 N -2.334389 -8.762620 -3.609223 27 89 91 N -8.353290 -3.223244 3.757174 27 92 92 N -8.526080 -2.280143 4.338372 27 91 93 N -0.468959 -4.716194 5.018835 27 94 94 N -1.138996 -4.430608 4.166438 27 93 95 N -5.914804 4.667712 -7.543308 27 96 96 N -6.312295 5.238732 -6.664089 27 95 97 N 4.846953 -2.039645 -7.232540 27 98 98 N 5.215502 -3.083344 -7.053787 27 97 99 N -2.445255 0.572519 6.112374 27 100 100 N -1.491902 0.050972 5.836337 27 99 101 N -3.832700 5.123134 2.422893 27 102 102 N -4.655597 4.647062 1.828513 27 101 103 N -8.227250 2.619683 -8.559361 27 104 104 N -8.941132 3.309848 -8.038656 27 103 105 N -0.069210 3.135334 -3.490882 27 106 106 N 0.256583 2.206746 -2.953599 27 105 107 N 4.029879 -4.846527 4.698731 27 108 108 N 3.877222 -5.499988 5.596937 27 107 109 N 6.386371 3.187606 -1.359047 27 110 110 N 6.119318 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-9.141747 6.189864 0.106347 27 133 135 N 1.364416 -8.144642 -2.975810 27 136 136 N 0.782715 -8.179589 -3.933669 27 135 137 N 5.600823 4.910008 -5.411407 27 138 138 N 5.724279 5.761069 -6.130812 27 137 139 N -6.804826 -2.225621 -3.102401 27 140 140 N -6.527324 -2.970996 -2.312148 27 139 141 N -2.977790 7.343881 4.737163 27 142 142 N -2.550332 6.978409 5.707111 27 141 143 N -6.847939 -1.059473 1.196727 27 144 144 N -7.721868 -0.993987 0.497407 27 143 145 N -4.496606 -4.417123 7.308298 27 146 146 N -5.467010 -4.972882 7.227441 27 145 147 N -7.381937 1.321805 -5.814689 27 148 148 N -6.892562 1.175468 -4.816598 27 147 149 N 5.977788 -1.942524 4.631196 27 150 150 N 5.267373 -1.171843 4.233137 27 149 151 N 4.740711 1.237745 8.873837 27 152 152 N 4.153939 0.398097 8.418013 27 151 153 N 5.389397 8.836261 -9.085365 27 154 154 N 4.956796 9.065711 -8.076753 27 153 155 N -7.703509 6.373903 3.518488 27 156 156 N -8.718973 5.903293 3.451784 27 155 157 N -9.404597 -6.186935 2.888309 27 158 158 N -8.444386 -6.389710 3.430496 27 157 159 N 1.433389 -8.594887 -7.510723 27 160 160 N 0.499418 -9.205521 -7.619885 27 159 161 N 0.471374 -4.712106 8.654333 27 162 162 N 1.268345 -5.436580 8.965884 27 161 163 N 0.927139 7.147877 5.789809 27 164 164 N 1.274382 6.917407 6.830672 27 163 165 N -2.902105 -5.100456 -2.722045 27 166 166 N -3.347377 -4.654767 -3.649505 27 165 167 N 6.764116 -2.402929 8.008896 27 168 168 N 7.114069 -1.344977 8.132833 27 167 169 N -2.204888 -3.028106 -8.697399 27 170 170 N -2.142551 -2.318568 -9.563284 27 169 171 N 4.523257 0.391681 -2.859474 27 172 172 N 3.540659 0.504799 -2.331464 27 171 173 N 4.831544 2.593132 5.193916 27 174 174 N 5.014992 3.047607 4.185508 27 173 175 N 8.615567 -1.739076 -5.627424 27 176 176 N 9.488730 -1.590024 -6.314780 27 175 177 N 1.239930 -0.490915 -0.266382 27 178 178 N 0.448276 -0.934008 -0.925201 27 177 179 N 8.777093 -8.842082 8.133332 27 180 180 N 8.205887 -8.096725 8.745914 27 179 181 N 0.880824 -4.317944 -1.684889 27 182 182 N 0.482337 -4.461449 -2.723016 27 181 183 N -5.614693 8.639255 1.890946 27 184 184 N -6.430751 9.311868 2.263413 27 183 185 N -7.489319 -9.191059 5.459566 27 186 186 N -6.508023 -8.997517 5.966211 27 185 187 N 2.412704 1.603330 -6.222338 27 188 188 N 2.788112 0.565453 -6.419744 27 187 189 N 9.439845 1.043946 6.041303 27 190 190 N 8.325841 0.919617 6.066346 27 189 191 N -1.417314 6.420841 -4.104265 27 192 192 N -0.542683 6.694195 -4.750320 27 191 193 N 2.013096 -7.944839 0.284875 27 194 194 N 2.925845 -7.313124 0.442719 27 193 195 N 1.530119 2.720099 7.046966 27 196 196 N 1.231690 1.710148 7.431709 27 195 197 N -5.994608 -4.967812 1.150972 27 198 198 N -5.097785 -4.317034 0.979835 27 197 199 N 5.568783 -5.961670 2.130508 27 200 200 N 5.717158 -4.852359 2.063402 27 199 201 N -4.537641 1.737051 -8.522392 27 202 202 N -3.715429 2.494164 -8.433861 27 201 203 N 1.641847 6.946275 -0.727042 27 204 204 N 0.844077 6.669406 -1.464603 27 203 205 N 8.440092 -5.082085 -8.731784 27 206 206 N 8.148103 -5.071520 -7.649324 27 205 207 N -8.742403 3.996451 -4.135143 27 208 208 N -9.251662 4.715782 -3.442100 27 207 209 N -3.800889 1.100687 2.658292 27 210 210 N -4.331547 0.819181 1.711590 27 209 211 N -4.638000 -1.870744 5.218173 27 212 212 N -4.893156 -0.940711 4.646313 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.806014 3.796422 0.235896 27 2 2 N -7.771200 3.434918 -0.205485 27 1 3 N 7.501703 -0.383395 -2.053046 27 4 4 N 8.481044 -0.546892 -2.573862 27 3 5 N -3.035637 -1.263460 -1.491612 27 6 6 N -2.555206 -1.054318 -2.482841 27 5 7 N 6.686321 5.466959 3.562330 27 8 8 N 7.772959 5.597032 3.318631 27 7 9 N -0.935466 6.783430 6.916101 27 10 10 N -1.076668 5.769642 7.373689 27 9 11 N -1.532294 -8.142821 6.997115 27 12 12 N -2.158026 -8.486512 7.861652 27 11 13 N 3.158153 -3.367473 -1.986095 27 14 14 N 3.692910 -4.245823 -1.539301 27 13 15 N -2.813599 7.059967 -8.280752 27 16 16 N -2.747933 7.847385 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42 42 N -8.027441 -9.235367 -3.771483 27 41 43 N 7.637146 -4.866610 -3.400570 27 44 44 N 6.524155 -4.942440 -3.512775 27 43 45 N 7.298089 0.157986 -5.905940 27 46 46 N 6.865890 1.191616 -5.949570 27 45 47 N 6.690289 8.374866 -5.999467 27 48 48 N 6.453688 8.992872 -5.094383 27 47 49 N -7.077619 -1.616875 7.576248 27 50 50 N -7.567909 -1.945225 8.529606 27 49 51 N -3.250150 8.869521 -0.913346 27 52 52 N -2.324402 8.402370 -1.339784 27 51 53 N 4.637106 7.314502 -1.052502 27 54 54 N 5.561219 6.680063 -1.076821 27 53 55 N 1.804179 -1.294089 5.696208 27 56 56 N 1.911226 -1.100464 6.795362 27 55 57 N 8.652415 7.078472 -8.612407 27 58 58 N 9.433592 7.042044 -7.808963 27 57 59 N -3.441265 3.822491 -4.682828 27 60 60 N -3.650133 2.741650 -4.895542 27 59 61 N 3.737555 4.048876 0.783144 27 62 62 N 3.072026 4.181021 1.675725 27 61 63 N -6.160097 5.806767 7.728700 27 64 64 N -5.584803 4.951112 7.288267 27 63 65 N 8.014995 -4.502569 5.462984 27 66 66 N 8.887200 -4.370006 6.154920 27 65 67 N 0.407081 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117 N 1.675704 -7.464192 4.079077 27 118 118 N 2.545680 -6.852883 4.434788 27 117 119 N 8.452625 3.620066 5.859742 27 120 120 N 9.101927 3.840357 6.746855 27 119 121 N -4.634344 -6.142016 4.238295 27 122 122 N -3.768414 -6.846757 4.135360 27 121 123 N -2.839607 -3.383233 1.880518 27 124 124 N -2.668530 -3.681493 0.813342 27 123 125 N 3.227087 -6.560883 -4.939808 27 126 126 N 3.729754 -6.967801 -4.023929 27 125 127 N -3.185483 -7.136101 -7.238425 27 128 128 N -2.101069 -6.869625 -7.137793 27 127 129 N -6.292509 -5.611260 -6.289652 27 130 130 N -6.321295 -5.860694 -5.196929 27 129 131 N 1.195480 -1.449746 -4.149915 27 132 132 N 1.882826 -1.529291 -5.032138 27 131 133 N -8.836520 6.641961 0.584277 27 134 134 N -9.134036 7.678669 0.277992 27 133 135 N -0.069960 -7.440774 -3.809820 27 136 136 N -0.064456 -8.204054 -4.631077 27 135 137 N 6.312175 4.874626 -6.077941 27 138 138 N 5.495935 4.618881 -6.802811 27 137 139 N -6.685569 -2.367743 -3.524372 27 140 140 N -6.339921 -3.240031 -2.910586 27 139 141 N -3.067754 8.332911 4.836198 27 142 142 N -2.655402 7.585495 4.109269 27 141 143 N -5.284784 -1.194053 1.120348 27 144 144 N -5.790148 -1.303268 0.125477 27 143 145 N -5.235741 -4.926368 7.732668 27 146 146 N -6.016476 -5.400687 7.082618 27 145 147 N -7.451111 1.127607 -4.085285 27 148 148 N -6.752731 1.156957 -3.208647 27 147 149 N 6.302686 -2.015311 3.196896 27 150 150 N 5.241813 -2.347612 3.342542 27 149 151 N 5.396534 1.921152 8.740680 27 152 152 N 5.986905 2.864253 8.602440 27 151 153 N 3.910877 -8.810285 8.672249 27 154 154 N 4.706993 -8.442687 9.370935 27 153 155 N -6.843336 5.292865 4.131730 27 156 156 N -6.839191 4.544910 3.296483 27 155 157 N 9.143866 -8.718259 3.044322 27 158 158 N 8.421174 -7.966471 3.456171 27 157 159 N 1.095684 9.009064 -7.990326 27 160 160 N 0.528715 8.114962 -8.359403 27 159 161 N 1.105489 -5.407662 8.229705 27 162 162 N 1.407707 -6.374383 8.710542 27 161 163 N 2.253164 8.154576 6.595086 27 164 164 N 1.985847 7.835226 5.554102 27 163 165 N -3.426542 -4.125709 -4.105202 27 166 166 N -3.400578 -5.231490 -3.921732 27 165 167 N 7.695252 -2.762287 -8.579349 27 168 168 N 7.589598 -1.804104 -9.151898 27 167 169 N -2.257110 -3.571883 8.705216 27 170 170 N -2.557248 -2.493651 8.638721 27 169 171 N 4.304142 0.334793 -2.722336 27 172 172 N 3.255720 0.719688 -2.623575 27 171 173 N 5.300915 2.776356 4.926020 27 174 174 N 5.848972 2.491887 3.990179 27 173 175 N -8.876421 -2.553840 -5.764342 27 176 176 N -8.180307 -2.076054 -6.502065 27 175 177 N 1.267969 -0.312152 -0.375148 27 178 178 N 0.352988 -0.742943 -0.859214 27 177 179 N 7.865777 -8.159199 8.093805 27 180 180 N 8.656059 -8.177438 7.298688 27 179 181 N -0.167867 -3.838837 -2.548927 27 182 182 N -0.165757 -3.764179 -1.430216 27 181 183 N -5.696823 8.378113 1.538639 27 184 184 N -5.603163 9.434979 1.901064 27 183 185 N -7.147937 8.312242 5.735179 27 186 186 N -6.536762 9.103285 5.227434 27 185 187 N 2.773616 2.210711 -6.717975 27 188 188 N 2.389412 2.408861 -5.683465 27 187 189 N 8.147694 0.282984 6.275977 27 190 190 N 7.604110 -0.098735 5.372707 27 189 191 N -0.237696 5.523720 -4.481609 27 192 192 N -0.752376 6.495836 -4.264387 27 191 193 N 2.204091 -7.218752 -0.000416 27 194 194 N 2.424688 -6.212491 0.442151 27 193 195 N 1.940070 3.870953 5.204309 27 196 196 N 1.952149 2.847654 5.662350 27 195 197 N -7.824743 -5.462475 2.145599 27 198 198 N -7.079790 -4.790538 1.644960 27 197 199 N 5.557742 -5.394052 1.885836 27 200 200 N 5.152447 -6.079582 2.675060 27 199 201 N -5.655470 1.764549 -8.832102 27 202 202 N -5.424729 1.037850 -8.010057 27 201 203 N 1.265265 8.135412 -1.720286 27 204 204 N 1.281784 7.979708 -0.610073 27 203 205 N 7.698271 -6.419645 -6.847925 27 206 206 N 8.539052 -6.913120 -7.401692 27 205 207 N 9.077526 4.756328 -4.354354 27 208 208 N 8.768620 3.695115 -4.165953 27 207 209 N -2.573630 0.275955 2.845921 27 210 210 N -1.986594 0.148565 1.899216 27 209 211 N -4.381971 -2.628441 4.476090 27 212 212 N -4.173731 -1.988583 5.372922 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.852512 2.226989 0.082014 27 2 2 N -6.516279 2.173561 -0.986246 27 1 3 N 9.072674 -0.315956 -2.058240 27 4 4 N 8.279155 0.378672 -1.677571 27 3 5 N -3.431810 -2.157012 -1.254056 27 6 6 N -2.359129 -1.899238 -1.454050 27 5 7 N 8.622875 6.710139 2.183747 27 8 8 N 7.805664 6.116575 2.670508 27 7 9 N -2.176050 4.808069 7.466337 27 10 10 N -1.412372 5.217374 6.754751 27 9 11 N -3.366649 -6.802469 7.396003 27 12 12 N -3.216908 -7.581016 6.603203 27 11 13 N 4.263094 -4.112060 -0.463419 27 14 14 N 4.888909 -3.188691 -0.350129 27 13 15 N -3.245171 6.052055 -7.758324 27 16 16 N -3.036660 7.152537 -7.707816 27 15 17 N -5.485428 -8.506286 8.971417 27 18 18 N -6.034608 -7.530875 9.035179 27 17 19 N 4.909835 6.564984 9.435761 27 20 20 N 4.851262 7.258050 8.556376 27 19 21 N -4.823776 5.605102 -1.976149 27 22 22 N -5.436220 4.867410 -2.557364 27 21 23 N 2.795150 6.629182 -5.805122 27 24 24 N 2.774117 7.333757 -4.933215 27 23 25 N -2.004129 2.258363 -8.552387 27 26 26 N -1.444241 3.120894 -8.105561 27 25 27 N -2.339791 -1.959006 -5.999291 27 28 28 N -2.568494 -1.522784 -4.992070 27 27 29 N 4.683189 0.143125 0.302110 27 30 30 N 5.732982 0.484797 0.497767 27 29 31 N 3.572624 4.854001 -2.097620 27 32 32 N 3.470309 4.104573 -2.925255 27 31 33 N -0.957986 -8.527705 1.657513 27 34 34 N -0.791512 -7.441931 1.432858 27 33 35 N -6.391209 1.176359 5.715968 27 36 36 N -5.859717 2.078577 5.315208 27 35 37 N 8.008155 -1.781561 0.690650 27 38 38 N 8.618514 -2.106207 1.573349 27 37 39 N 1.442739 5.383097 8.305318 27 40 40 N 1.056622 5.552196 9.344264 27 39 41 N -9.187893 -8.042190 -3.752994 27 42 42 N -8.350529 -7.970064 -3.010896 27 41 43 N 6.995090 -3.278705 -2.734768 27 44 44 N 6.549907 -2.369062 -3.215864 27 43 45 N 5.228939 0.054858 -7.246259 27 46 46 N 5.738885 0.398801 -6.308843 27 45 47 N 6.542356 8.182603 -5.021909 27 48 48 N 6.796664 7.774582 -6.034793 27 47 49 N -6.263313 -1.318301 7.823329 27 50 50 N -7.274245 -1.803160 7.819458 27 49 51 N -2.553143 -8.720008 -1.848026 27 52 52 N -3.550358 -8.229132 -1.700743 27 51 53 N 5.157577 7.445618 -1.306949 27 54 54 N 5.963050 7.527362 -0.531306 27 53 55 N 1.770716 0.025773 5.972788 27 56 56 N 1.721890 -1.087674 6.095024 27 55 57 N 8.011617 5.048593 -7.714626 27 58 58 N 8.022109 5.916549 -8.424295 27 57 59 N -3.256392 3.595580 -5.404944 27 60 60 N -3.943169 2.797912 -5.791145 27 59 61 N 3.640969 4.570752 1.717568 27 62 62 N 4.591022 5.039801 1.350847 27 61 63 N -4.833418 3.615213 8.271794 27 64 64 N -5.813708 4.066506 7.967727 27 63 65 N 7.595391 -5.459119 5.364650 27 66 66 N 8.300670 -4.745719 5.865382 27 65 67 N 0.078325 -5.299273 -6.235292 27 68 68 N 0.146797 -5.354085 -7.353057 27 67 69 N -1.993495 2.892623 2.406152 27 70 70 N -2.990359 3.396545 2.503170 27 69 71 N 2.835185 -2.553988 2.417282 27 72 72 N 2.190748 -1.638135 2.472103 27 71 73 N 0.505291 -1.492260 -8.902089 27 74 74 N 1.004346 -0.731079 -8.247384 27 73 75 N 0.760149 3.531218 -0.223575 27 76 76 N 0.193675 4.496423 -0.155941 27 75 77 N -8.381635 1.342616 2.825478 27 78 78 N -9.091001 2.195709 2.987094 27 77 79 N 4.828179 -6.697263 6.336209 27 80 80 N 5.206841 -7.489168 5.638650 27 79 81 N -3.334026 1.622912 -0.624294 27 82 82 N -2.998338 2.352901 -1.406293 27 81 83 N 0.542375 6.056356 3.460780 27 84 84 N -0.577359 6.030257 3.409751 27 83 85 N 8.075638 -7.806186 -0.502553 27 86 86 N 8.927489 -7.830763 0.226030 27 85 87 N 0.929167 1.590518 2.990990 27 88 88 N 1.609539 2.363366 2.547267 27 87 89 N -4.261798 9.496647 -4.833308 27 90 90 N -4.860008 8.637599 -5.234895 27 89 91 N -7.648855 -2.613240 4.264396 27 92 92 N -8.314372 -1.721421 4.401631 27 91 93 N -0.902217 -4.388986 4.093391 27 94 94 N -0.420978 -3.410777 4.355319 27 93 95 N -7.630213 5.142989 -6.506509 27 96 96 N -6.628526 5.277414 -6.991940 27 95 97 N 3.867115 -3.533921 -7.042198 27 98 98 N 3.017858 -2.805288 -6.971869 27 97 99 N -1.764462 0.495642 6.482090 27 100 100 N -1.860216 1.611522 6.429814 27 99 101 N -3.298695 6.846531 0.781875 27 102 102 N -4.319877 6.700830 1.221249 27 101 103 N -9.001167 1.275380 -8.123751 27 104 104 N -8.838098 2.321145 -8.493713 27 103 105 N -0.190503 2.382766 -3.698425 27 106 106 N -0.625220 2.158347 -4.707260 27 105 107 N 3.312960 -3.408674 7.821342 27 108 108 N 2.460179 -4.012845 7.415346 27 107 109 N 7.663088 3.872737 -1.029515 27 110 110 N 6.618351 4.089457 -1.373961 27 109 111 N -5.050154 -3.050914 -7.503985 27 112 112 N -5.663417 -3.817801 -8.045171 27 111 113 N -6.149283 -6.118590 -0.663901 27 114 114 N -6.087999 -6.330303 -1.763224 27 113 115 N 4.904523 8.368726 2.511016 27 116 116 N 5.570180 9.262191 2.385684 27 115 117 N 2.338340 -7.962187 3.729430 27 118 118 N 2.118676 -6.957538 3.282755 27 117 119 N -8.537132 4.275057 6.305889 27 120 120 N -8.855022 4.853135 7.212455 27 119 121 N -3.909606 -6.970435 3.263251 27 122 122 N -4.443528 -6.135588 3.787701 27 121 123 N -2.755882 -4.462551 0.797475 27 124 124 N -2.662643 -5.143085 -0.088679 27 123 125 N 3.949004 -6.767294 -4.470922 27 126 126 N 2.840862 -6.773752 -4.641425 27 125 127 N -3.109766 -6.108796 -6.981329 27 128 128 N -2.720847 -6.572639 -7.925089 27 127 129 N -6.773576 -6.639556 -5.728221 27 130 130 N -6.828730 -5.546294 -5.485679 27 129 131 N 1.674568 -0.632809 -4.884168 27 132 132 N 0.596192 -0.939599 -4.875579 27 131 133 N -8.383436 6.246311 -1.110000 27 134 134 N -8.904439 6.978957 -1.779980 27 133 135 N -0.545514 -8.390367 -4.102767 27 136 136 N 0.213123 -9.187529 -3.888075 27 135 137 N 5.720025 4.828526 -4.988945 27 138 138 N 5.528962 3.973302 -5.688357 27 137 139 N -7.790673 -3.022283 -2.994638 27 140 140 N -7.340351 -3.553422 -2.115893 27 139 141 N -3.279440 7.465781 5.320536 27 142 142 N -3.583668 7.964933 4.363780 27 141 143 N -5.694352 -0.901428 1.201392 27 144 144 N -5.012199 -1.652255 1.678901 27 143 145 N -7.040957 -5.472538 6.343467 27 146 146 N -6.083961 -4.888438 6.334756 27 145 147 N -5.869213 0.199812 -3.700311 27 148 148 N -4.840755 0.184126 -3.254084 27 147 149 N 6.314447 -1.647482 4.736455 27 150 150 N 5.682455 -2.564388 4.606225 27 149 151 N 4.610611 2.948866 8.137508 27 152 152 N 5.320282 2.317958 8.733670 27 151 153 N 4.593346 -7.225184 -8.649949 27 154 154 N 4.002315 -7.219773 -7.697194 27 153 155 N -6.605572 4.637768 3.066953 27 156 156 N -6.272017 5.354431 3.862080 27 155 157 N 8.951874 -8.164824 4.171237 27 158 158 N 8.110616 -8.755413 4.619096 27 157 159 N 0.123545 -8.637442 -7.744931 27 160 160 N 0.150255 -9.149783 -8.741868 27 159 161 N 0.197289 -6.642606 7.589892 27 162 162 N -0.076476 -6.481375 6.514650 27 161 163 N 2.100593 8.085462 5.988173 27 164 164 N 1.003079 8.302661 6.061504 27 163 165 N -2.587000 -4.797846 -3.670160 27 166 166 N -3.667762 -4.499647 -3.659195 27 165 167 N 7.344305 -2.151902 9.462250 27 168 168 N 7.453476 -2.405333 8.375539 27 167 169 N -1.734420 -3.065034 7.816377 27 170 170 N -2.320063 -3.455083 8.689287 27 169 171 N 4.574497 0.576769 -2.946134 27 172 172 N 5.324719 1.400105 -2.818186 27 171 173 N 4.838776 1.761475 3.744432 27 174 174 N 5.562920 2.575938 3.481080 27 173 175 N -8.791756 -2.166038 -6.318070 27 176 176 N -9.042760 -1.330261 -5.614107 27 175 177 N 0.432686 -0.364691 -0.815459 27 178 178 N 1.183188 -1.129846 -0.486258 27 177 179 N 8.176501 -8.092685 8.967664 27 180 180 N 8.704923 -8.158472 7.980987 27 179 181 N 1.283206 -5.001366 -2.421674 27 182 182 N 0.586105 -5.662585 -1.843807 27 181 183 N -6.678776 -9.193162 0.983874 27 184 184 N -6.506478 -8.965479 2.068108 27 183 185 N -7.521862 7.437317 6.177893 27 186 186 N -6.945779 8.398289 6.219746 27 185 187 N 2.775147 2.654526 -6.889612 27 188 188 N 1.800846 2.450448 -7.405536 27 187 189 N 7.497355 1.170578 6.142095 27 190 190 N 8.541536 0.991059 6.508904 27 189 191 N -1.116732 5.834803 -4.191419 27 192 192 N -1.861241 6.470295 -4.738180 27 191 193 N 4.594623 -7.719073 -1.012819 27 194 194 N 3.907656 -7.502248 -0.153661 27 193 195 N 4.130584 5.585421 5.168090 27 196 196 N 3.174316 5.009337 5.271862 27 195 197 N -8.412300 -5.247515 2.142423 27 198 198 N -7.313837 -5.451643 2.236240 27 197 199 N 5.884716 -5.827827 2.480116 27 200 200 N 6.539280 -5.058350 1.993763 27 199 201 N -5.376677 0.634597 -8.009935 27 202 202 N -5.310799 0.161983 -6.995348 27 201 203 N 1.784564 8.482045 0.104511 27 204 204 N 1.338952 7.494015 -0.182395 27 203 205 N 7.238289 -4.718076 -6.197408 27 206 206 N 7.914322 -5.556969 -5.887037 27 205 207 N -8.786621 2.599214 -4.110302 27 208 208 N -8.630214 2.148844 -5.125089 27 207 209 N -1.422647 -0.851391 2.012430 27 210 210 N -2.177550 -0.308516 2.638927 27 209 211 N -4.314562 -1.339024 5.458465 27 212 212 N -3.539899 -2.139812 5.333063 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.188379 3.715608 -0.410319 27 2 2 N -6.454142 2.952969 0.367395 27 1 3 N 9.388335 -0.028469 -1.714961 27 4 4 N 8.675677 0.837029 -1.725858 27 3 5 N -2.308960 -2.507553 -2.907110 27 6 6 N -1.211718 -2.701630 -2.782672 27 5 7 N 8.446476 5.417828 1.745127 27 8 8 N 9.549560 5.253713 1.629532 27 7 9 N -0.864413 4.392727 6.347287 27 10 10 N -0.192022 3.941869 5.571589 27 9 11 N -3.245554 -6.496385 5.655152 27 12 12 N -2.440288 -7.261348 5.808342 27 11 13 N 4.022518 -2.935810 0.437329 27 14 14 N 3.064521 -2.808104 -0.131021 27 13 15 N -2.603974 6.704531 -7.739843 27 16 16 N -3.502648 7.001649 -7.138849 27 15 17 N -6.199038 -9.385742 -7.286527 27 18 18 N -6.682524 -8.422995 -7.597090 27 17 19 N 3.716722 8.038307 8.141362 27 20 20 N 3.345760 8.051467 9.199333 27 19 21 N -3.527935 5.757941 -1.779616 27 22 22 N -3.908993 4.968492 -2.478654 27 21 23 N 2.839085 6.806870 -6.030490 27 24 24 N 2.213423 7.387139 -5.303218 27 23 25 N -1.118550 1.960930 8.478571 27 26 26 N -1.141084 1.072006 9.161502 27 25 27 N -2.478330 -2.811169 -6.398928 27 28 28 N -1.562696 -2.259623 -6.737303 27 27 29 N 4.009925 1.176923 0.294433 27 30 30 N 4.915016 0.629605 0.666374 27 29 31 N 3.482157 4.953518 -2.235408 27 32 32 N 2.925530 4.686509 -3.171337 27 31 33 N 0.070030 -7.665211 3.408561 27 34 34 N -0.160706 -8.603809 2.840331 27 33 35 N -6.514453 1.187460 5.354030 27 36 36 N -5.581041 0.884711 4.811652 27 35 37 N 7.268314 -2.541682 0.412266 27 38 38 N 8.101229 -1.849559 0.702623 27 37 39 N 0.291461 5.907524 -9.338667 27 40 40 N 0.788233 5.086799 -8.758393 27 39 41 N -8.581873 -8.349618 -4.807059 27 42 42 N -8.878630 -8.498734 -3.736176 27 41 43 N 6.370942 -1.671334 -3.319456 27 44 44 N 5.634502 -2.120040 -2.602930 27 43 45 N 6.235411 0.601852 -6.275722 27 46 46 N 5.309470 -0.028412 -6.325624 27 45 47 N 6.884357 8.171275 -6.539884 27 48 48 N 6.239601 8.424942 -7.421378 27 47 49 N -8.087532 -2.591633 8.217901 27 50 50 N -7.857343 -1.510849 8.028144 27 49 51 N -2.211635 -9.206783 -0.906183 27 52 52 N -3.295243 -8.924622 -0.963345 27 51 53 N 6.594780 7.842691 -2.979696 27 54 54 N 6.028367 7.360281 -2.140920 27 53 55 N 3.020698 0.062348 6.595303 27 56 56 N 2.334008 0.904164 6.318007 27 55 57 N 8.807163 5.813660 8.892825 27 58 58 N 7.731905 5.520253 9.014567 27 57 59 N -3.810680 2.870483 -5.792643 27 60 60 N -4.005258 3.933516 -5.493996 27 59 61 N 4.402787 5.452695 1.452158 27 62 62 N 5.048147 4.549768 1.293017 27 61 63 N -4.088298 3.707395 8.452263 27 64 64 N -4.462605 4.298188 7.575937 27 63 65 N 8.195447 -4.899320 6.619159 27 66 66 N 7.808376 -5.904391 6.307554 27 65 67 N 1.019061 -5.432133 -6.304634 27 68 68 N 0.398028 -5.160171 -5.411636 27 67 69 N -3.103417 2.173280 2.981045 27 70 70 N -3.381060 2.343268 1.908147 27 69 71 N 1.631342 -1.066078 2.895085 27 72 72 N 1.910492 -1.401232 3.927963 27 71 73 N 0.639464 -2.308614 9.140107 27 74 74 N 1.463323 -1.549371 9.096562 27 73 75 N 0.296839 4.794111 0.007914 27 76 76 N -0.648083 4.191147 0.033348 27 75 77 N 7.799554 1.283553 2.492386 27 78 78 N 8.402886 1.901137 1.777076 27 77 79 N 3.250157 -7.414526 5.084113 27 80 80 N 3.992955 -7.761682 5.848850 27 79 81 N -3.427461 1.168616 -2.538747 27 82 82 N -4.009747 1.469226 -1.628985 27 81 83 N 1.112398 6.441336 3.145182 27 84 84 N 0.611896 6.766762 4.094225 27 83 85 N 7.660182 -9.617443 0.569328 27 86 86 N 7.944095 -8.566481 0.837583 27 85 87 N 1.495974 2.439823 2.970719 27 88 88 N 0.473900 2.485007 2.512011 27 87 89 N -4.931266 8.516696 -4.221488 27 90 90 N -3.915714 8.122145 -3.956772 27 89 91 N -9.105007 -1.989003 4.215528 27 92 92 N -8.313184 -1.310018 3.804330 27 91 93 N -0.698395 -3.280926 3.565649 27 94 94 N -0.741841 -4.227250 4.165376 27 93 95 N -7.409847 6.202563 -5.494349 27 96 96 N -7.261432 5.456277 -6.317829 27 95 97 N 4.221792 -3.659853 -6.700088 27 98 98 N 3.958096 -4.336784 -5.846086 27 97 99 N -1.467230 -0.280761 5.556173 27 100 100 N -1.189826 0.776670 5.307225 27 99 101 N -2.425647 6.380705 1.238739 27 102 102 N -3.107411 7.001535 1.876594 27 101 103 N -8.779789 2.617787 -8.044080 27 104 104 N -7.810723 2.338515 -8.533984 27 103 105 N 0.059902 2.807633 -3.296858 27 106 106 N -0.928333 3.191098 -3.662144 27 105 107 N 3.366641 -3.518508 6.018912 27 108 108 N 3.391426 -4.181435 6.922793 27 107 109 N 6.985329 3.983006 -1.295340 27 110 110 N 6.555971 3.649785 -2.276005 27 109 111 N -5.223634 -4.011353 -8.075810 27 112 112 N -4.825592 -5.005303 -8.408549 27 111 113 N -6.583348 -8.113293 -0.541198 27 114 114 N -6.312104 -7.949935 -1.616759 27 113 115 N 4.402061 9.232463 1.812988 27 116 116 N 4.983450 8.854921 2.694202 27 115 117 N 2.475539 -5.723731 2.053174 27 118 118 N 2.233138 -4.671043 2.353472 27 117 119 N 8.052335 4.470826 5.071210 27 120 120 N 8.722075 4.179746 5.921981 27 119 121 N -5.445618 -7.317388 2.559069 27 122 122 N -5.433540 -6.203292 2.433637 27 121 123 N -2.515676 -4.866528 0.636894 27 124 124 N -2.342482 -5.944641 0.382403 27 123 125 N 4.323355 -7.761141 -4.225130 27 126 126 N 5.173518 -7.382935 -4.850649 27 125 127 N -2.396846 -6.726898 -6.074603 27 128 128 N -2.440607 -7.827817 -5.866877 27 127 129 N -7.291113 -5.167964 -5.053112 27 130 130 N -7.076264 -4.379713 -4.285265 27 129 131 N 1.564863 -1.214971 -3.765966 27 132 132 N 2.159986 -2.165123 -3.754579 27 131 133 N -7.470645 6.830859 -1.401080 27 134 134 N -8.547226 6.548310 -1.536087 27 133 135 N 0.138158 -8.288237 -3.969008 27 136 136 N 0.437281 -8.384426 -2.892736 27 135 137 N 7.753983 5.138434 -5.686489 27 138 138 N 6.695445 4.932613 -5.993451 27 137 139 N -7.819714 -4.064475 -0.661517 27 140 140 N -6.847388 -4.612668 -0.555880 27 139 141 N -2.901202 6.466731 4.892706 27 142 142 N -3.312196 6.716290 5.905570 27 141 143 N -5.766740 -0.879186 0.965836 27 144 144 N -6.871480 -0.865300 0.774928 27 143 145 N -6.507499 -6.504297 5.752061 27 146 146 N -6.689343 -5.551215 6.313896 27 145 147 N -4.857465 -0.726930 -5.253918 27 148 148 N -5.650529 -1.141760 -5.929237 27 147 149 N 6.056855 -1.521748 5.543146 27 150 150 N 5.724170 -1.045693 4.584094 27 149 151 N 4.055322 4.380158 9.167185 27 152 152 N 4.165335 3.289078 8.933670 27 151 153 N 5.088799 -6.368441 8.771393 27 154 154 N 4.087983 -6.525435 9.251821 27 153 155 N -6.263363 4.701333 4.256004 27 156 156 N -5.572931 4.629695 3.375515 27 155 157 N 7.907493 -9.159076 5.395178 27 158 158 N 8.031307 -8.634266 4.412155 27 157 159 N -0.026712 -7.812093 -8.183361 27 160 160 N 0.146720 -8.663412 -7.474652 27 159 161 N 0.458290 -5.357557 7.452555 27 162 162 N 0.804394 -5.993455 6.596439 27 161 163 N 0.068292 8.549678 6.747392 27 164 164 N 0.971258 9.210494 6.676224 27 163 165 N -3.063718 -6.146875 -2.993443 27 166 166 N -4.130646 -5.961054 -3.283653 27 165 167 N 6.960030 -2.265061 9.058164 27 168 168 N 5.908142 -1.886686 8.971842 27 167 169 N -2.414721 -3.576021 7.792765 27 170 170 N -2.421598 -3.583987 6.671615 27 169 171 N 4.704440 1.247329 -3.603322 27 172 172 N 3.702142 1.330100 -3.107707 27 171 173 N 5.392732 2.629752 4.122070 27 174 174 N 4.789442 2.788164 5.053753 27 173 175 N 8.974406 -1.123914 -6.174700 27 176 176 N 9.185194 -0.454668 -5.300190 27 175 177 N 0.173421 1.018833 -0.128576 27 178 178 N 1.167294 0.664708 0.250770 27 177 179 N 8.670346 -7.838573 8.637999 27 180 180 N 8.586044 -8.909722 8.958346 27 179 181 N 0.756595 -5.067599 -2.106277 27 182 182 N 0.789916 -5.056427 -0.985627 27 181 183 N -7.383340 8.106434 3.007180 27 184 184 N -6.497282 7.815439 3.629524 27 183 185 N -6.958961 7.695221 7.777045 27 186 186 N -6.466093 8.683139 7.581627 27 185 187 N 1.903221 2.066854 -6.492538 27 188 188 N 2.414000 1.241142 -7.053246 27 187 189 N 7.820522 1.381232 7.426193 27 190 190 N 6.772925 1.657371 7.714944 27 189 191 N -0.695356 6.624828 -3.533150 27 192 192 N -0.902187 6.415302 -4.615005 27 191 193 N 4.235772 -6.512187 -0.972231 27 194 194 N 5.302730 -6.856354 -0.987727 27 193 195 N 4.601459 5.952654 5.637015 27 196 196 N 3.913727 6.793755 5.360136 27 195 197 N -8.878517 -5.940894 2.336207 27 198 198 N -8.591459 -5.619530 3.371298 27 197 199 N 5.929010 -4.551701 3.456565 27 200 200 N 5.840294 -5.139221 2.505755 27 199 201 N -4.138514 -0.469408 8.298830 27 202 202 N -4.813739 0.383390 8.570671 27 201 203 N 2.014643 8.171587 -0.812945 27 204 204 N 1.383191 8.649106 -0.019010 27 203 205 N 7.471740 -4.206826 -5.592655 27 206 206 N 7.398772 -5.115842 -6.244924 27 205 207 N -7.551581 3.548048 -3.611850 27 208 208 N -6.738081 2.791980 -3.458006 27 207 209 N -2.569019 -0.926619 0.709018 27 210 210 N -2.318677 -0.766485 1.790117 27 209 211 N -5.055117 -2.732437 3.836112 27 212 212 N -3.990729 -3.054598 3.693355 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.073300 3.269400 0.442929 27 2 2 N -6.294575 4.354671 0.617032 27 1 3 N 9.075860 1.015001 -2.482395 27 4 4 N 8.891837 0.257820 -1.676230 27 3 5 N -3.024649 -3.207078 -4.195172 27 6 6 N -2.262051 -3.107483 -3.379319 27 5 7 N 7.517890 6.396844 2.529372 27 8 8 N 6.585308 5.800449 2.351350 27 7 9 N -0.510055 4.089996 6.395958 27 10 10 N 0.138915 3.176200 6.426021 27 9 11 N -1.805317 -7.583796 5.298998 27 12 12 N -2.811801 -7.215431 5.628217 27 11 13 N 5.071810 -1.813915 -0.994886 27 14 14 N 3.986355 -2.033115 -1.170462 27 13 15 N -2.316975 8.434134 -7.813699 27 16 16 N -2.741102 8.254168 -6.791536 27 15 17 N -7.478810 -8.018989 -6.405205 27 18 18 N -7.872772 -8.846309 -5.759121 27 17 19 N 5.082402 8.482500 7.891711 27 20 20 N 5.155586 8.707118 8.987740 27 19 21 N -3.505846 6.028933 -1.212121 27 22 22 N -3.792870 5.238449 -1.953634 27 21 23 N 1.848495 6.793346 -5.332275 27 24 24 N 2.694914 7.334810 -5.829750 27 23 25 N -1.139791 0.387985 8.661214 27 26 26 N -1.835798 1.102838 9.172730 27 25 27 N -2.237077 -3.672667 -7.487630 27 28 28 N -1.415330 -2.921874 -7.622276 27 27 29 N 5.880835 1.869135 0.949261 27 30 30 N 5.091481 1.824742 0.154253 27 29 31 N 2.935462 4.604667 -2.414343 27 32 32 N 2.715588 4.148136 -3.414506 27 31 33 N 0.814311 -9.414889 2.290042 27 34 34 N 0.856240 -8.795294 3.223549 27 33 35 N -4.812889 -0.731475 4.480419 27 36 36 N -4.500106 0.129362 3.833723 27 35 37 N 8.657876 -2.801959 0.011966 27 38 38 N 8.136339 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-9.591941 27 64 64 N -3.182103 5.494008 -8.616098 27 63 65 N 6.085110 -5.436731 5.445987 27 66 66 N 5.779087 -4.534726 6.037449 27 65 67 N 0.984811 -4.828494 -5.452552 27 68 68 N -0.104573 -5.093537 -5.461872 27 67 69 N -2.135616 2.650056 3.148832 27 70 70 N -2.862880 2.442327 2.321169 27 69 71 N 1.182716 -1.123841 1.785067 27 72 72 N 2.207991 -1.497146 1.527102 27 71 73 N 1.002887 -2.709789 8.497497 27 74 74 N 1.822505 -3.158903 9.116863 27 73 75 N -0.068719 5.510242 -0.247186 27 76 76 N -0.096649 4.398456 -0.389456 27 75 77 N -9.382984 1.551705 3.154478 27 78 78 N -8.368208 2.028437 3.147664 27 77 79 N 2.737378 -6.240065 5.483638 27 80 80 N 2.997112 -7.329578 5.534512 27 79 81 N -4.962777 0.212109 -2.022333 27 82 82 N -4.125485 0.399665 -1.300630 27 81 83 N 0.928556 5.330871 3.672318 27 84 84 N 0.128846 5.540357 2.914910 27 83 85 N 7.767897 -8.682479 1.151261 27 86 86 N 7.744578 -9.143118 0.129323 27 85 87 N 1.312538 2.630658 1.890370 27 88 88 N 2.290683 2.150161 2.153892 27 87 89 N -4.678362 8.986958 -3.822871 27 90 90 N -3.803193 8.651173 -3.207715 27 89 91 N -8.198599 -2.704396 4.031302 27 92 92 N -8.868985 -1.940364 4.504510 27 91 93 N -0.924695 -4.328400 6.000596 27 94 94 N -1.210387 -4.408639 4.919378 27 93 95 N -5.829366 5.301023 -6.779641 27 96 96 N -6.384393 6.122881 -6.256588 27 95 97 N 4.212649 -2.585403 -5.729572 27 98 98 N 4.103721 -3.472970 -6.405921 27 97 99 N -1.115962 -0.083803 4.799693 27 100 100 N -0.292634 -0.824778 4.973411 27 99 101 N -3.118279 6.890994 2.718300 27 102 102 N -3.999020 6.333914 2.304721 27 101 103 N -8.052876 3.498101 -8.372227 27 104 104 N -8.317055 2.627954 -9.028080 27 103 105 N -1.476672 2.272878 -3.831280 27 106 106 N -2.255456 1.470961 -3.917961 27 105 107 N 2.080878 -2.678167 5.474287 27 108 108 N 3.055639 -2.201783 5.191465 27 107 109 N 7.912524 5.178834 -0.810884 27 110 110 N 7.519480 4.211180 -1.218621 27 109 111 N -6.373064 -5.593286 -8.734657 27 112 112 N -5.701439 -4.893627 -8.172088 27 111 113 N -6.559017 8.563924 -0.494860 27 114 114 N -7.078484 8.544427 0.498551 27 113 115 N 4.134487 -7.650772 1.282831 27 116 116 N 4.048999 -8.768352 1.311051 27 115 117 N 0.742379 -4.415693 2.428583 27 118 118 N 1.110365 -5.241881 3.091221 27 117 119 N 8.736577 4.633250 5.240001 27 120 120 N 9.017688 3.920681 6.058728 27 119 121 N -4.957555 -7.981516 2.581012 27 122 122 N -5.448791 -6.998121 2.360308 27 121 123 N -2.432975 -5.369487 1.454192 27 124 124 N -2.128735 -6.448579 1.444800 27 123 125 N 3.479483 -6.616021 -4.058448 27 126 126 N 3.514472 -7.693250 -4.367387 27 125 127 N -3.681922 -5.896260 -5.595934 27 128 128 N -3.266711 -6.532511 -6.420478 27 127 129 N -6.520782 -4.547971 -4.661855 27 130 130 N -6.316135 -3.767209 -3.883639 27 129 131 N 0.557930 -0.757631 -5.107100 27 132 132 N 0.866356 -1.543612 -4.369404 27 131 133 N -7.358884 5.733007 -2.357365 27 134 134 N -7.458922 6.414125 -3.242328 27 133 135 N -0.137561 -8.221699 -3.543158 27 136 136 N -0.808941 -8.766773 -4.256763 27 135 137 N 6.908618 3.417922 -4.492346 27 138 138 N 5.914893 3.642267 -4.960609 27 137 139 N -6.321032 -3.568924 0.536244 27 140 140 N -5.623246 -4.256624 -0.008966 27 139 141 N -2.196570 7.199522 6.399355 27 142 142 N -1.192198 7.442614 5.964345 27 141 143 N -7.306286 -0.628682 1.327130 27 144 144 N -6.895552 -0.280658 0.343633 27 143 145 N -6.200028 -7.485531 5.919296 27 146 146 N -6.710380 -6.510308 6.132771 27 145 147 N -4.495164 -1.519802 -7.167809 27 148 148 N -5.552727 -1.755365 -6.879434 27 147 149 N 5.967499 -0.920558 2.191914 27 150 150 N 5.651750 -1.421069 3.144217 27 149 151 N 4.148726 4.288790 -8.541105 27 152 152 N 5.137735 4.146394 -8.032508 27 151 153 N 4.992906 -5.336119 -8.751960 27 154 154 N 5.159732 -6.209268 -9.435238 27 153 155 N -4.981272 4.553787 5.042560 27 156 156 N -5.293831 4.012295 5.973250 27 155 157 N 7.082307 -8.946414 4.520268 27 158 158 N 6.217798 -8.710544 3.846416 27 157 159 N 2.850117 -7.987114 -7.894848 27 160 160 N 1.931035 -7.910272 -7.257294 27 159 161 N -0.846445 -6.990090 8.055026 27 162 162 N -0.067874 -6.697850 8.807032 27 161 163 N 1.290117 8.419385 7.448786 27 164 164 N 1.917640 7.937848 6.654162 27 163 165 N -3.339760 -6.469837 -2.129989 27 166 166 N -4.460218 -6.447298 -2.163975 27 165 167 N 5.737117 -2.235048 8.710931 27 168 168 N 6.829557 -2.338678 8.940982 27 167 169 N -3.338556 -2.410606 7.439944 27 170 170 N -4.366390 -2.545358 7.867129 27 169 171 N 4.310312 0.869197 -3.343784 27 172 172 N 3.196187 0.753762 -3.293915 27 171 173 N 5.066147 1.802275 5.325832 27 174 174 N 5.568658 2.789003 5.501726 27 173 175 N -8.473033 -0.914560 -5.846381 27 176 176 N -8.510245 0.120711 -6.275240 27 175 177 N -0.189424 -0.105192 -0.897260 27 178 178 N -0.585072 0.900987 -0.600349 27 177 179 N 8.197041 -7.487126 8.676206 27 180 180 N 8.289895 -7.543430 7.560277 27 179 181 N 1.640953 -6.746980 -1.211752 27 182 182 N 1.017807 -7.175622 -0.384077 27 181 183 N -7.074041 7.444442 3.590387 27 184 184 N -7.845106 8.230734 3.800850 27 183 185 N -6.276043 7.403356 8.503821 27 186 186 N -6.164107 6.512354 7.832498 27 185 187 N 1.049298 2.483095 -6.871592 27 188 188 N 1.753473 2.944120 -6.130861 27 187 189 N 7.071970 2.165264 8.450161 27 190 190 N 6.811209 1.074924 8.434298 27 189 191 N -1.227280 5.599138 -4.426935 27 192 192 N -0.659422 5.832616 -3.488790 27 191 193 N 6.418429 -4.565900 -1.684463 27 194 194 N 6.395231 -5.590326 -1.229377 27 193 195 N 3.918205 6.796007 4.398291 27 196 196 N 4.241923 5.896963 4.984818 27 195 197 N -8.686387 -6.117518 3.217304 27 198 198 N -8.999450 -5.815874 2.183818 27 197 199 N 4.224841 -4.226852 1.087652 27 200 200 N 4.150189 -4.467993 2.180065 27 199 201 N -5.595362 0.457277 8.444574 27 202 202 N -4.891523 1.272858 8.133883 27 201 203 N 3.306951 8.757002 -1.686973 27 204 204 N 2.613317 8.040752 -2.199757 27 203 205 N 8.394322 -5.414063 -6.617459 27 206 206 N 7.998165 -4.559472 -7.225590 27 205 207 N -5.815502 3.230077 -3.797506 27 208 208 N -6.855518 2.817622 -3.870551 27 207 209 N -2.297811 -1.713726 1.155774 27 210 210 N -2.507116 -1.935021 2.234806 27 209 211 N -4.637502 -3.913359 3.879240 27 212 212 N -4.204941 -4.168484 4.881683 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.436755 3.275668 -0.237801 27 2 2 N -6.597520 3.484386 0.852006 27 1 3 N 7.747323 1.416652 -1.753480 27 4 4 N 8.799721 1.594386 -1.410029 27 3 5 N -2.574909 -2.008406 -3.619351 27 6 6 N -2.999342 -2.308958 -4.612636 27 5 7 N 6.836740 5.142866 3.202749 27 8 8 N 6.948294 6.016548 3.896525 27 7 9 N 1.721044 3.831506 7.243899 27 10 10 N 1.225679 4.741189 6.814737 27 9 11 N -2.501100 -7.669778 4.489972 27 12 12 N -2.992237 -6.865518 5.097458 27 11 13 N 5.491266 -1.336264 -0.089748 27 14 14 N 6.237288 -2.172768 -0.118063 27 13 15 N -2.009715 8.092440 -7.164962 27 16 16 N -2.133576 8.101403 -8.279264 27 15 17 N -7.604469 -7.372036 -5.192437 27 18 18 N -7.907622 -8.241093 -5.832693 27 17 19 N 4.864904 8.049267 9.314205 27 20 20 N 5.200998 8.145263 8.248882 27 19 21 N -3.948685 5.027486 -1.944250 27 22 22 N -4.298891 4.422132 -2.820601 27 21 23 N 4.440276 7.152566 -5.362861 27 24 24 N 3.418683 7.605202 -5.270341 27 23 25 N -1.809677 0.041843 9.067617 27 26 26 N -1.491789 1.086987 8.815213 27 25 27 N -1.844314 -3.789098 -8.192373 27 28 28 N -1.557258 -4.250932 -7.211864 27 27 29 N 4.434763 2.121337 -0.269531 27 30 30 N 4.402584 1.802057 0.804766 27 29 31 N 2.792648 4.116098 -3.541464 27 32 32 N 3.787352 4.346115 -3.078059 27 31 33 N 1.211363 -9.596562 1.940555 27 34 34 N 0.739370 -8.652072 2.317716 27 33 35 N -4.857736 0.446677 3.729857 27 36 36 N -4.311582 -0.035838 2.877810 27 35 37 N -8.730513 -4.342813 0.434770 27 38 38 N -8.742815 -3.221681 0.434765 27 37 39 N 1.168954 7.232385 -8.543397 27 40 40 N 1.294532 6.577740 -7.641865 27 39 41 N -8.037691 -7.305810 -1.718466 27 42 42 N -7.178576 -6.838251 -1.170379 27 41 43 N 8.547880 -2.231314 -3.021471 27 44 44 N 8.339041 -3.328090 -2.918712 27 43 45 N 5.164673 -1.047715 -7.364089 27 46 46 N 4.374772 -0.252872 -7.327059 27 45 47 N 6.022139 -7.822955 -7.025993 27 48 48 N 5.901230 -7.695982 -5.918588 27 47 49 N 9.219543 -2.432460 8.765803 27 50 50 N 8.678924 -1.722096 9.444185 27 49 51 N -1.815331 8.319668 -0.322581 27 52 52 N -2.814586 8.825506 -0.374590 27 51 53 N 5.922974 7.833129 -2.655550 27 54 54 N 6.122362 8.324615 -1.667736 27 53 55 N 2.223029 0.020717 7.778399 27 56 56 N 2.029925 -0.000752 8.882636 27 55 57 N 7.567086 7.054994 -7.045121 27 58 58 N 8.486740 6.419884 -6.955900 27 57 59 N -4.247721 1.583895 -6.555596 27 60 60 N -5.051570 1.102668 -7.171500 27 59 61 N 3.076265 5.951470 0.967687 27 62 62 N 2.288302 5.263040 1.370515 27 61 63 N -1.683382 4.932738 9.338517 27 64 64 N -2.404374 4.481503 8.608006 27 63 65 N 7.318541 -4.466993 4.234864 27 66 66 N 7.180237 -4.471627 3.122237 27 65 67 N -0.630047 -5.209755 -4.188555 27 68 68 N 0.269924 -5.682164 -4.661812 27 67 69 N -2.500470 1.914930 0.971494 27 70 70 N -3.338212 2.649692 0.847384 27 69 71 N 2.455717 -1.809456 1.315123 27 72 72 N 2.303159 -0.825330 0.800039 27 71 73 N 2.007470 -3.109376 -8.718340 27 74 74 N 2.202609 -3.445474 -7.666651 27 73 75 N -0.503813 5.143932 -0.501613 27 76 76 N -0.814189 4.210204 -1.039114 27 75 77 N -8.350707 3.138564 3.784298 27 78 78 N -8.045192 2.064328 3.685474 27 77 79 N 3.122868 -5.643053 7.002261 27 80 80 N 3.718930 -5.148386 6.191642 27 79 81 N -4.271399 0.463351 -1.848411 27 82 82 N -5.228809 0.013947 -1.476263 27 81 83 N -0.815742 5.375794 2.680519 27 84 84 N -0.493555 6.260076 3.289887 27 83 85 N 7.998329 8.711773 0.747047 27 86 86 N 8.938346 8.406376 0.217717 27 85 87 N 0.307872 2.202872 3.060371 27 88 88 N 0.524297 2.326022 1.967172 27 87 89 N -4.897449 8.742754 -4.535064 27 90 90 N -4.159465 8.251908 -3.848376 27 89 91 N -7.627451 -1.835891 4.575495 27 92 92 N -8.456492 -1.198717 4.980201 27 91 93 N -0.292292 -3.393443 7.247519 27 94 94 N -1.329588 -3.646296 6.905214 27 93 95 N -4.939784 4.609049 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120 120 N 8.788747 6.858187 7.839143 27 119 121 N -5.160523 -8.018382 2.331017 27 122 122 N -5.688538 -8.490808 1.462051 27 121 123 N -2.524490 -5.277318 1.609571 27 124 124 N -2.131182 -6.182852 1.078153 27 123 125 N 3.590661 -6.248658 -3.700045 27 126 126 N 3.192916 -7.287724 -3.561367 27 125 127 N -4.116323 -6.185317 -5.827839 27 128 128 N -3.570211 -6.851969 -6.545074 27 127 129 N -6.811412 -4.375640 -4.040292 27 130 130 N -6.838758 -3.259728 -4.145558 27 129 131 N 0.414147 -0.992975 -5.948425 27 132 132 N 1.071491 -0.839183 -5.053251 27 131 133 N -7.917454 6.020211 -4.036612 27 134 134 N -8.674465 5.643852 -3.300151 27 133 135 N -0.294571 8.550382 -4.613739 27 136 136 N -0.531985 9.263230 -3.781529 27 135 137 N 6.943869 3.855359 -4.326995 27 138 138 N 6.310341 3.067906 -4.812433 27 137 139 N -4.698599 -3.381832 -1.227544 27 140 140 N -5.394085 -3.814449 -0.461885 27 139 141 N -3.176762 7.839739 6.399476 27 142 142 N -2.717379 6.855730 6.120580 27 141 143 N -7.051192 -0.560389 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6.573977 27 168 168 N 5.913214 -2.183408 6.825635 27 167 169 N -4.589044 -4.203069 7.281623 27 170 170 N -4.909614 -3.758441 6.303549 27 169 171 N 4.706994 0.605006 -4.002102 27 172 172 N 4.124720 0.618791 -3.044054 27 171 173 N 5.108795 2.225028 6.027961 27 174 174 N 5.047738 1.494713 5.179433 27 173 175 N 8.865022 0.249117 -6.034502 27 176 176 N 9.126892 0.954167 -6.866018 27 175 177 N 1.340351 1.589506 -1.645902 27 178 178 N 0.629045 0.722997 -1.663126 27 177 179 N 8.430374 -7.748865 8.779713 27 180 180 N 8.797562 -8.400295 7.944308 27 179 181 N 0.503198 -6.060529 -1.410070 27 182 182 N 0.431144 -6.821774 -0.590066 27 181 183 N -7.408657 6.706383 3.082550 27 184 184 N -8.169471 7.524971 2.992183 27 183 185 N -6.915320 8.325800 -8.466563 27 186 186 N -6.293723 9.046560 -9.059194 27 185 187 N 1.200551 2.692278 -7.146613 27 188 188 N 1.676224 2.254171 -6.230706 27 187 189 N 8.276193 1.689724 7.390473 27 190 190 N 8.704691 2.493799 6.737065 27 189 191 N -1.219930 5.067304 -5.504286 27 192 192 N -1.344209 5.051927 -4.390101 27 191 193 N 6.760492 -6.726396 -1.216159 27 194 194 N 6.366190 -5.760540 -1.626936 27 193 195 N 3.242427 7.373449 4.362192 27 196 196 N 4.007097 6.692821 4.819479 27 195 197 N -8.934070 -7.007908 3.298722 27 198 198 N -8.393886 -7.143430 2.325620 27 197 199 N 3.057569 -5.174928 0.273394 27 200 200 N 3.989147 -4.803464 0.774659 27 199 201 N -6.172028 0.942869 7.442887 27 202 202 N -5.302472 0.453312 6.931713 27 201 203 N 1.964443 8.615486 -1.598492 27 204 204 N 2.780226 8.967406 -0.914577 27 203 205 N 8.027695 -5.319054 -6.185385 27 206 206 N 8.534927 -4.319182 -6.177402 27 205 207 N -6.908857 2.083533 -4.196209 27 208 208 N -7.654097 2.918431 -4.127988 27 207 209 N -2.185017 -1.437535 0.826654 27 210 210 N -1.115143 -1.489526 1.157949 27 209 211 N -6.234449 -4.471931 3.421544 27 212 212 N -5.465607 -3.747680 3.045470 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -7.293858 3.293847 -0.346476 27 2 2 N -6.536113 3.532618 0.444662 27 1 3 N 7.247743 2.040357 -1.450863 27 4 4 N 7.817204 2.574192 -2.255738 27 3 5 N -3.288743 -2.105342 -4.449673 27 6 6 N -2.500933 -2.683149 -4.999750 27 5 7 N 6.919603 5.814820 3.645408 27 8 8 N 6.736311 6.919603 3.699698 27 7 9 N 1.516031 5.104676 7.592361 27 10 10 N 1.252621 4.087228 7.982880 27 9 11 N -2.321290 -6.849640 4.931046 27 12 12 N -2.455966 -7.962707 4.936664 27 11 13 N 7.264494 -1.334181 -1.919238 27 14 14 N 7.036819 -2.386523 -1.606459 27 13 15 N -3.611227 8.814295 -7.392857 27 16 16 N -3.354429 9.272815 -8.383262 27 15 17 N -8.304740 -7.655871 -6.178617 27 18 18 N -8.720486 -8.281064 -5.345924 27 17 19 N 3.888031 7.746891 8.688269 27 20 20 N 4.672093 8.529125 8.513781 27 19 21 N -4.742026 4.566828 -2.317576 27 22 22 N -3.831026 4.481275 -2.965533 27 21 23 N 4.207998 6.487791 -6.751007 27 24 24 N 3.874718 7.129800 -5.894362 27 23 25 N -1.494882 1.636622 -8.517818 27 26 26 N -0.528857 1.773601 -7.965441 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5.765747 27 173 175 N 9.017957 0.311302 -6.192321 27 176 176 N 7.978301 0.328113 -5.772890 27 175 177 N 0.743764 1.679637 -1.253915 27 178 178 N 1.715699 1.320951 -1.682607 27 177 179 N 7.539693 -7.805435 8.861719 27 180 180 N 8.100731 -7.444671 7.960511 27 179 181 N -0.437787 -6.171877 0.010665 27 182 182 N 0.178441 -6.001449 -0.910372 27 181 183 N -6.730662 5.835992 4.665241 27 184 184 N -6.950657 6.824116 4.183262 27 183 185 N -6.251290 6.918504 -8.368157 27 186 186 N -6.904895 7.829337 -8.351682 27 185 187 N 2.258734 2.655503 -6.762824 27 188 188 N 2.437287 1.666647 -6.265459 27 187 189 N 7.531326 0.482492 8.976636 27 190 190 N 7.335666 1.517477 8.592431 27 189 191 N -1.382946 5.759862 -4.925515 27 192 192 N -0.743170 4.980287 -5.415452 27 191 193 N 7.307746 -6.086321 -2.401095 27 194 194 N 8.093388 -5.702977 -3.103165 27 193 195 N 3.268042 7.000250 4.947162 27 196 196 N 3.435542 5.902599 4.791615 27 195 197 N 9.296303 -6.641923 3.135798 27 198 198 N 8.823380 -7.378464 2.435125 27 197 199 N 4.507837 -6.197407 0.412694 27 200 200 N 5.516499 -6.283767 0.894597 27 199 201 N -5.256550 0.238535 8.171219 27 202 202 N -4.366787 -0.400936 7.933545 27 201 203 N 2.101001 7.992829 -0.473788 27 204 204 N 1.243569 8.438676 0.094647 27 203 205 N 7.944006 -3.450320 -5.545505 27 206 206 N 7.886880 -4.477253 -5.991862 27 205 207 N -7.194066 2.417417 -4.157804 27 208 208 N -8.009525 3.185801 -4.199072 27 207 209 N -1.416923 -2.233285 -1.849920 27 210 210 N -0.834462 -3.171426 -1.655703 27 209 211 N -5.446811 -4.191491 3.199226 27 212 212 N -6.238018 -3.806064 3.893868 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -6.833757 4.184526 0.163718 27 2 2 N -6.010767 3.439900 0.322801 27 1 3 N 6.535395 2.639671 -2.416890 27 4 4 N 7.609484 2.806934 -2.142218 27 3 5 N -4.086991 -1.536634 -5.086782 27 6 6 N -4.292084 -2.481447 -4.519019 27 5 7 N 6.829857 6.724244 4.171270 27 8 8 N 7.639358 7.124121 3.506516 27 7 9 N 0.573462 4.313683 7.104022 27 10 10 N 1.473547 4.740541 7.618540 27 9 11 N -3.005620 -7.459227 5.941584 27 12 12 N -2.308428 -7.483825 6.819312 27 11 13 N 6.385778 -2.278049 -1.872873 27 14 14 N 6.536499 -1.437261 -2.599129 27 13 15 N -2.906557 8.490504 -7.505157 27 16 16 N -2.682986 9.165278 -8.372212 27 15 17 N -7.497548 -8.171542 -5.896588 27 18 18 N -7.977806 -8.460027 -4.925393 27 17 19 N 4.822245 8.141117 8.379806 27 20 20 N 4.206723 8.305564 9.302399 27 19 21 N -3.503950 4.030654 -2.358669 27 22 22 N -3.527136 4.839847 -1.582938 27 21 23 N 3.969272 7.069269 -5.311300 27 24 24 N 4.373033 7.513194 -4.364200 27 23 25 N -3.227615 1.096400 -8.464000 27 26 26 N -2.371268 1.252200 -7.757258 27 25 27 N -1.683850 -3.368246 -8.679864 27 28 28 N -1.734129 -2.292279 -8.991080 27 27 29 N 4.648910 1.763170 0.158056 27 30 30 N 4.875289 0.687869 -0.064585 27 29 31 N 3.086001 4.552614 -3.152907 27 32 32 N 2.481627 3.630369 -2.949718 27 31 33 N 2.789566 -7.525311 2.508284 27 34 34 N 2.402539 -7.532580 1.456026 27 33 35 N -4.730058 -0.753062 2.068896 27 36 36 N -5.120968 0.284420 2.235954 27 35 37 N -7.780225 -3.281435 0.185882 27 38 38 N -7.911692 -3.615715 1.247985 27 37 39 N 0.846030 8.078517 9.645778 27 40 40 N 0.787919 7.692177 8.594848 27 39 41 N -7.419441 -8.215303 -0.917778 27 42 42 N -7.325627 -7.912116 0.157567 27 41 43 N -7.562916 -1.675902 -2.956257 27 44 44 N -8.098834 -2.537311 -3.433601 27 43 45 N 4.684662 -1.246950 -7.806646 27 46 46 N 3.605346 -1.039748 -8.028538 27 45 47 N 7.114022 -7.953254 -6.207703 27 48 48 N 6.016451 -7.745298 -6.111888 27 47 49 N -8.617808 -3.258055 7.561007 27 50 50 N -9.615766 -3.720632 7.343770 27 49 51 N -0.711868 8.878584 1.943319 27 52 52 N -1.711921 9.046201 1.464896 27 51 53 N 6.603046 6.410470 -1.893185 27 54 54 N 5.881240 6.144948 -1.077353 27 53 55 N 0.235834 0.165616 8.068999 27 56 56 N 1.342891 0.161257 7.891531 27 55 57 N 8.160278 6.209204 -5.316876 27 58 58 N 7.924984 7.217923 -5.746073 27 57 59 N -6.303370 0.431198 -6.390288 27 60 60 N -6.430646 0.740946 -5.320266 27 59 61 N 4.213966 6.461875 1.650758 27 62 62 N 3.423506 5.920541 1.068331 27 61 63 N -2.595110 4.829589 9.163956 27 64 64 N -2.440291 5.934797 9.056090 27 63 65 N 6.548763 -1.327484 2.204459 27 66 66 N 7.094934 -1.460548 3.174552 27 65 67 N -0.218953 -5.187758 -4.049889 27 68 68 N -0.090301 -4.289299 -4.708154 27 67 69 N -2.047083 0.813939 0.326492 27 70 70 N -2.456445 1.774072 -0.082968 27 69 71 N 2.609763 -3.470479 -1.836414 27 72 72 N 3.040257 -2.476102 -2.124478 27 71 73 N 2.114666 -3.671010 8.236848 27 74 74 N 2.509834 -3.918648 9.256460 27 73 75 N 0.020696 4.561691 0.355354 27 76 76 N 0.156966 3.914103 1.260422 27 75 77 N -7.912112 2.355900 3.449327 27 78 78 N -7.077779 2.503767 4.183570 27 77 79 N 4.365198 -4.157278 4.813471 27 80 80 N 3.939114 -4.887802 4.077349 27 79 81 N -5.337452 0.500432 -1.596916 27 82 82 N -4.727904 0.850250 -2.470512 27 81 83 N 0.140396 5.876358 4.362750 27 84 84 N -0.889168 6.225089 4.088026 27 83 85 N -9.541998 6.701005 0.459971 27 86 86 N -8.574432 7.183608 0.756617 27 85 87 N -0.370399 1.989000 4.613711 27 88 88 N -1.128503 1.886463 3.794044 27 87 89 N -3.848902 7.991588 -4.065381 27 90 90 N -4.508432 8.884110 -4.225114 27 89 91 N -7.902108 -1.888029 4.923158 27 92 92 N -7.415655 -1.065126 4.337255 27 91 93 N 0.089465 -3.589039 5.047263 27 94 94 N 0.674799 -2.683568 4.739696 27 93 95 N -5.289723 4.612943 -6.234277 27 96 96 N -4.770941 3.632505 -6.070884 27 95 97 N 4.953079 -4.849833 -5.282001 27 98 98 N 5.025584 -4.234484 -4.347562 27 97 99 N -3.861917 -0.770100 6.062607 27 100 100 N -2.744339 -0.821947 5.988989 27 99 101 N -3.281149 4.749155 2.567969 27 102 102 N -4.300212 5.150628 2.807592 27 101 103 N -7.416663 2.919194 -8.383636 27 104 104 N -8.250115 3.407937 -8.952475 27 103 105 N -0.546411 2.669494 -5.171530 27 106 106 N -1.278934 2.273010 -4.420997 27 105 107 N 2.495292 0.221303 2.730997 27 108 108 N 3.390486 -0.280335 3.182744 27 107 109 N 8.019589 3.546759 1.402573 27 110 110 N 6.980303 3.701327 1.793828 27 109 111 N -5.867608 -7.668828 -9.119242 27 112 112 N -6.834451 -7.213342 -8.780369 27 111 113 N -4.579077 7.338119 0.018823 27 114 114 N -4.433865 8.318466 -0.505508 27 113 115 N 6.874907 -8.895314 0.827567 27 116 116 N 5.937557 -8.772717 0.224713 27 115 117 N 1.883905 -4.152316 1.808112 27 118 118 N 1.655641 -3.139382 1.385089 27 117 119 N 8.658973 6.003496 7.521980 27 120 120 N 8.527668 5.150140 6.806694 27 119 121 N -4.981841 -9.510346 3.146070 27 122 122 N -4.921357 -8.391737 3.192378 27 121 123 N -2.156109 -2.383274 2.814075 27 124 124 N -1.655695 -2.686646 1.857706 27 123 125 N 3.537230 -7.095629 -2.876536 27 126 126 N 3.379390 -7.876522 -2.087623 27 125 127 N -3.688050 -5.326869 -6.445906 27 128 128 N -3.469458 -6.370618 -6.099646 27 127 129 N -7.461802 -5.588669 -3.180955 27 130 130 N -6.447695 -5.800164 -3.609844 27 129 131 N 0.697156 -0.354742 -6.230464 27 132 132 N 0.398722 -1.371673 -6.596359 27 131 133 N -6.988191 6.804358 -2.589720 27 134 134 N -7.733742 6.856073 -3.425523 27 133 135 N 0.065726 -8.911333 -4.128283 27 136 136 N -0.881449 -9.177613 -3.590654 27 135 137 N 5.649904 3.847414 -5.733963 27 138 138 N 5.382056 2.998146 -6.415205 27 137 139 N -4.463021 -2.640954 -0.992141 27 140 140 N -4.606154 -3.717020 -0.711630 27 139 141 N -4.198734 7.854945 6.851313 27 142 142 N -3.521309 7.681924 5.974816 27 141 143 N -7.957909 0.573637 0.452161 27 144 144 N -8.796103 0.960973 -0.183835 27 143 145 N -7.881834 -8.198101 6.287463 27 146 146 N -8.617366 -8.099192 5.447046 27 145 147 N -7.170532 -4.015854 -6.418332 27 148 148 N -7.431121 -3.247645 -7.192307 27 147 149 N 6.807282 1.751957 5.822682 27 150 150 N 7.646074 1.790848 5.079712 27 149 151 N 5.326211 4.804351 8.152647 27 152 152 N 5.126440 5.104905 9.214177 27 151 153 N 5.300686 -6.452384 8.449830 27 154 154 N 5.678035 -6.000828 9.404186 27 153 155 N -3.365593 3.150885 6.024412 27 156 156 N -3.792153 4.180996 5.906043 27 155 157 N 6.398617 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-6.039415 -0.493452 27 182 182 N -0.158556 -6.843029 -1.150421 27 181 183 N -7.310589 6.661040 4.577512 27 184 184 N -7.660501 5.891621 3.840866 27 183 185 N -6.278442 7.232516 -8.394658 27 186 186 N -7.171898 7.151176 -7.722192 27 185 187 N 2.441051 2.415083 -7.685044 27 188 188 N 2.248890 3.506574 -7.515306 27 187 189 N 6.912808 1.624447 -8.669552 27 190 190 N 6.061161 1.113866 -9.190220 27 189 191 N -0.780193 5.981243 -5.598074 27 192 192 N 0.248814 6.311319 -5.299267 27 191 193 N 7.745049 -7.808016 -2.185044 27 194 194 N 7.170143 -8.431566 -2.918364 27 193 195 N 3.424391 7.206355 4.887280 27 196 196 N 3.551141 6.639860 5.846501 27 195 197 N 8.076648 -5.482181 4.211087 27 198 198 N 7.719593 -5.138975 3.205198 27 197 199 N 5.150797 -5.035389 -0.454751 27 200 200 N 4.955677 -4.818599 0.627847 27 199 201 N -6.514975 -0.562405 8.594109 27 202 202 N -7.521815 -0.323656 8.162412 27 201 203 N 2.039826 7.236878 -1.666091 27 204 204 N 1.420973 7.719147 -0.865137 27 203 205 N 7.781180 -2.830393 -7.366167 27 206 206 N 7.271968 -3.820009 -7.502013 27 205 207 N -7.583446 2.932988 -3.278875 27 208 208 N -8.053027 3.638781 -4.012659 27 207 209 N -1.001647 -2.554943 -1.435447 27 210 210 N -1.639824 -1.953327 -2.133929 27 209 211 N -4.894148 -4.669587 2.518217 27 212 212 N -5.300140 -4.637599 3.562840 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -5.237856 2.604852 -0.102214 27 2 2 N -5.788754 2.910632 -1.029628 27 1 3 N 6.666784 2.028645 -3.563447 27 4 4 N 7.315311 2.471161 -2.763021 27 3 5 N -4.217541 -2.374296 -5.272096 27 6 6 N -5.235269 -2.803774 -5.464107 27 5 7 N 6.639093 5.932172 3.508056 27 8 8 N 6.176573 5.694723 2.514687 27 7 9 N 1.337589 3.060798 5.841100 27 10 10 N 1.752226 2.158704 6.362054 27 9 11 N -2.815601 -7.268223 7.862470 27 12 12 N -2.936142 -7.370243 6.752448 27 11 13 N 6.003550 -1.514771 -1.165865 27 14 14 N 6.943641 -1.332523 -1.749049 27 13 15 N -2.905334 8.934434 -7.338593 27 16 16 N -2.016109 8.284054 -7.546856 27 15 17 N -7.597560 -8.312114 -4.939663 27 18 18 N -7.987811 -8.415714 -5.985636 27 17 19 N 5.415579 7.990024 -8.817060 27 20 20 N 5.235510 9.074406 -8.596196 27 19 21 N -2.114652 5.311135 -0.862998 27 22 22 N -1.797189 4.238674 -0.941311 27 21 23 N 4.857114 7.899887 -5.169939 27 24 24 N 4.455298 7.833423 -4.125326 27 23 25 N -3.620883 1.122838 -7.849605 27 26 26 N -3.619216 1.774594 -6.937300 27 25 27 N -2.160389 -3.859528 8.931905 27 28 28 N -3.180141 -3.430908 9.114882 27 27 29 N 4.213457 2.492942 -0.604458 27 30 30 N 4.524749 1.426101 -0.752907 27 29 31 N 2.797802 4.511445 -2.796896 27 32 32 N 2.072728 4.944670 -2.059553 27 31 33 N 2.792232 -7.337351 2.260163 27 34 34 N 2.049465 -8.137006 2.516948 27 33 35 N -4.922554 -0.033471 3.186069 27 36 36 N -5.412354 0.398765 2.274830 27 35 37 N -8.300674 -4.282317 -0.262981 27 38 38 N -9.120766 -5.002578 -0.519427 27 37 39 N 1.288893 7.645693 8.462669 27 40 40 N 0.283924 7.650000 7.965569 27 39 41 N -6.211493 -6.819543 0.326535 27 42 42 N -6.735027 -7.723023 -0.081786 27 41 43 N -8.220763 -0.019886 -3.315164 27 44 44 N -8.403191 -0.977415 -3.869193 27 43 45 N 3.694457 -0.728447 -7.449798 27 46 46 N 2.825736 -0.021000 -7.405831 27 45 47 N 7.063943 -7.637234 -5.699224 27 48 48 N 7.023608 -6.703966 -6.319283 27 47 49 N 8.502445 -5.343984 8.184667 27 50 50 N 8.965935 -6.251456 7.716949 27 49 51 N -0.619462 7.391969 1.279728 27 52 52 N -0.501576 8.194912 0.506117 27 51 53 N 6.567159 5.518531 -1.286124 27 54 54 N 7.104456 6.501886 -1.248516 27 53 55 N -0.879714 -0.199876 9.349825 27 56 56 N -0.991700 0.491189 8.474053 27 55 57 N 7.681212 6.192225 -4.439965 27 58 58 N 8.786974 6.030652 -4.530919 27 57 59 N -7.453513 -0.580952 -7.337861 27 60 60 N -7.509413 -1.435045 -8.062079 27 59 61 N 3.216072 6.014031 0.493047 27 62 62 N 2.992381 6.583585 1.432548 27 61 63 N -1.822427 3.965324 -9.123206 27 64 64 N -1.752718 5.031674 -8.783901 27 63 65 N 6.195366 -0.203207 2.802082 27 66 66 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-2.389675 4.603616 27 92 92 N -8.257416 -1.884054 3.837776 27 91 93 N 0.221387 -1.533881 5.808595 27 94 94 N -0.352892 -2.133487 5.055093 27 93 95 N -2.821000 4.642744 -5.047553 27 96 96 N -2.863718 5.308647 -4.146532 27 95 97 N 4.820153 -4.065800 -5.688398 27 98 98 N 5.457690 -3.560010 -4.917157 27 97 99 N -4.944026 -0.862500 6.513793 27 100 100 N -3.847243 -1.088640 6.568720 27 99 101 N -3.433553 4.071794 2.140545 27 102 102 N -3.885003 3.377983 2.896791 27 101 103 N -6.144311 3.557005 -8.744561 27 104 104 N -7.231394 3.600837 -8.473603 27 103 105 N -0.991542 2.122380 -3.593167 27 106 106 N 0.038492 2.456509 -3.883818 27 105 107 N 1.339925 -0.242865 2.987040 27 108 108 N 1.901314 0.714573 2.828155 27 107 109 N 8.671779 3.650363 1.181150 27 110 110 N 8.043627 2.722236 1.214185 27 109 111 N -6.446123 -7.248872 -8.771336 27 112 112 N -6.453043 -8.366027 -8.866230 27 111 113 N -4.300097 7.977348 0.725851 27 114 114 N -4.947716 7.079413 0.548670 27 113 115 N 7.398546 -8.332371 1.078288 27 116 116 N 6.382945 -8.355184 1.552761 27 115 117 N 3.068669 -2.588086 1.537527 27 118 118 N 2.159483 -3.218408 1.355416 27 117 119 N 9.277038 7.113122 5.405649 27 120 120 N 8.924797 6.389703 6.186470 27 119 121 N -2.248401 -8.547628 3.662420 27 122 122 N -2.332488 -7.524633 3.211309 27 121 123 N -1.228548 -3.109018 1.761799 27 124 124 N -2.330313 -2.902735 1.787303 27 123 125 N 4.750818 -6.875994 -3.127063 27 126 126 N 4.437052 -6.285895 -2.226827 27 125 127 N -4.096107 -6.324106 -6.538373 27 128 128 N -3.845893 -6.715235 -5.517834 27 127 129 N -6.169098 -5.560873 -3.817156 27 130 130 N -6.626301 -5.755121 -2.812008 27 129 131 N -0.714852 -1.041402 -5.915229 27 132 132 N -1.452670 -0.298081 -5.514994 27 131 133 N -6.294955 6.205440 -2.517599 27 134 134 N -6.677219 7.174564 -2.932040 27 133 135 N -1.033105 -8.057616 -3.962262 27 136 136 N -0.390514 -8.232506 -4.864249 27 135 137 N 4.741800 4.145625 -6.002325 27 138 138 N 5.201298 3.364185 -6.662101 27 137 139 N -6.069023 -1.976202 -1.422028 27 140 140 N -5.356363 -2.825972 -1.586644 27 139 141 N -4.157759 7.155293 8.094100 27 142 142 N -4.192696 8.106509 7.501601 27 141 143 N -8.823636 -1.022682 0.639563 27 144 144 N -8.264601 -0.070729 0.835408 27 143 145 N -6.486413 -7.728105 4.568966 27 146 146 N -5.848420 -8.610052 4.300220 27 145 147 N -8.639529 -4.940385 -7.157068 27 148 148 N -9.240201 -4.021673 -6.928488 27 147 149 N 8.078197 2.929199 6.351792 27 150 150 N 7.065627 2.764085 5.899543 27 149 151 N 3.830771 4.193299 8.569290 27 152 152 N 4.325360 4.812630 7.776259 27 151 153 N 5.245914 -5.639439 8.002131 27 154 154 N 4.882591 -5.566667 9.060333 27 153 155 N -3.486108 4.256787 6.589180 27 156 156 N -4.531611 4.300725 6.186584 27 155 157 N 6.276794 -7.653526 5.875747 27 158 158 N 6.966910 -7.481589 5.008991 27 157 159 N 2.607267 -7.407110 -5.525627 27 160 160 N 2.664389 -6.865345 -6.505585 27 159 161 N -0.368554 -6.512083 -8.119780 27 162 162 N 0.172087 -6.605345 -9.097583 27 161 163 N 1.853892 -6.989952 5.811457 27 164 164 N 0.900661 -7.526973 5.566410 27 163 165 N -3.020539 -7.038431 -0.426723 27 166 166 N -3.353435 -6.175607 -1.060602 27 165 167 N 4.498200 0.160178 6.225987 27 168 168 N 3.619285 -0.415839 6.616882 27 167 169 N -5.033222 -4.339071 5.669761 27 170 170 N -4.949894 -4.839924 6.669407 27 169 171 N 3.351011 0.447457 -4.143163 27 172 172 N 4.152395 -0.286487 -3.867123 27 171 173 N 4.148963 2.644514 4.203488 27 174 174 N 4.968557 2.782796 3.451005 27 173 175 N 7.619812 -0.062854 -6.072607 27 176 176 N 6.662574 -0.638228 -5.973958 27 175 177 N 1.441434 0.006123 -1.232047 27 178 178 N 1.317931 -0.540371 -0.260872 27 177 179 N -9.101331 7.457834 -7.862383 27 180 180 N -9.143547 8.309254 -8.590663 27 179 181 N 0.179126 -6.401700 0.313821 27 182 182 N 0.208988 -6.573966 -0.793664 27 181 183 N -6.008380 6.256023 3.917514 27 184 184 N -6.646333 5.366958 3.673243 27 183 185 N -5.469110 6.551185 -6.440074 27 186 186 N -6.130957 7.437788 -6.621684 27 185 187 N 0.311515 2.372609 -7.129344 27 188 188 N 1.003502 3.253227 -7.181830 27 187 189 N 6.881474 1.293609 -8.988023 27 190 190 N 5.762038 1.243748 -9.026334 27 189 191 N 0.129250 5.950681 -4.895796 27 192 192 N 1.103571 6.080016 -5.435296 27 191 193 N 8.009811 -7.960624 -2.615935 27 194 194 N 8.534432 -8.764492 -2.036574 27 193 195 N 3.324116 7.974372 5.984604 27 196 196 N 4.031248 7.872448 5.120507 27 195 197 N 9.350881 -5.789939 3.068959 27 198 198 N 8.345632 -5.322879 2.900376 27 197 199 N 4.686676 -5.208652 0.761926 27 200 200 N 5.729649 -4.893630 0.497243 27 199 201 N -8.893294 0.199602 7.071911 27 202 202 N -8.118670 0.598292 7.777670 27 201 203 N 1.624087 8.375172 -2.814405 27 204 204 N 1.545290 9.329400 -2.231027 27 203 205 N 6.550949 -1.989848 8.072579 27 206 206 N 6.210342 -2.405202 9.056732 27 205 207 N -6.571769 3.449256 -5.057306 27 208 208 N -7.630198 3.527305 -4.695744 27 207 209 N -1.932842 -3.355721 -1.526170 27 210 210 N -1.549886 -3.252129 -2.574837 27 209 211 N -5.975657 -3.492311 2.072326 27 212 212 N -5.929718 -4.585168 2.318582 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -4.923113 3.281963 0.639864 27 2 2 N -4.966632 3.078160 -0.461798 27 1 3 N 7.606572 1.942159 -4.801841 27 4 4 N 6.938052 1.458600 -4.042670 27 3 5 N -5.676302 -3.630559 -6.362985 27 6 6 N -4.892081 -2.971357 -5.907420 27 5 7 N 7.556778 8.010140 3.406073 27 8 8 N 7.248438 6.934353 3.337536 27 7 9 N -0.720313 3.031145 5.323554 27 10 10 N 0.099989 3.660140 5.757790 27 9 11 N -2.740182 -7.864956 8.047365 27 12 12 N -1.793625 -8.095632 7.492472 27 11 13 N 6.227174 -1.816227 -2.800619 27 14 14 N 6.288055 -1.355003 -1.780494 27 13 15 N -2.850629 8.472164 -7.675996 27 16 16 N -1.732046 8.436205 -7.608413 27 15 17 N -6.480229 -8.395077 -5.618299 27 18 18 N -6.840781 -7.339122 -5.728078 27 17 19 N 4.192633 8.381840 8.035640 27 20 20 N 4.261050 7.863852 7.043624 27 19 21 N -1.528388 5.861717 -1.774580 27 22 22 N -2.305729 5.517496 -1.043593 27 21 23 N 5.023817 8.025981 -2.864031 27 24 24 N 5.502493 7.481622 -3.719386 27 23 25 N -4.631026 0.361750 -7.006597 27 26 26 N -4.271676 1.328434 -6.566736 27 25 27 N -2.003248 -3.082893 -8.067304 27 28 28 N -2.516048 -3.735130 -8.821434 27 27 29 N 3.045254 2.704052 -0.000836 27 30 30 N 3.599856 2.199810 -0.834649 27 29 31 N 2.839054 4.866536 -4.296069 27 32 32 N 3.544628 4.726187 -3.436095 27 31 33 N 3.148348 -7.565829 2.170309 27 34 34 N 2.640093 -8.561581 2.255431 27 33 35 N -6.570170 -0.834571 3.296547 27 36 36 N -6.029473 -0.533227 2.361706 27 35 37 N -8.763469 -4.620229 -1.022368 27 38 38 N -8.518895 -3.529827 -0.931283 27 37 39 N 0.208309 6.294770 7.769943 27 40 40 N 0.882304 5.624353 8.364386 27 39 41 N -7.410183 -8.831467 0.291532 27 42 42 N -6.943776 -7.880169 -0.075327 27 41 43 N -7.565063 -1.489485 -4.020437 27 44 44 N -8.546280 -1.002989 -3.780385 27 43 45 N 2.383656 -0.998326 -7.461786 27 46 46 N 3.369655 -0.480156 -7.589831 27 45 47 N 7.482290 -7.940534 -5.097561 27 48 48 N 7.134442 -7.092744 -5.743581 27 47 49 N 8.246847 -6.610253 8.229044 27 50 50 N 8.379547 -6.751024 9.333427 27 49 51 N 0.005622 7.434193 1.449890 27 52 52 N -0.034656 8.176645 0.610704 27 51 53 N 6.722757 5.082534 -1.413733 27 54 54 N 7.701417 4.674021 -1.777645 27 53 55 N -0.518844 0.314540 8.614837 27 56 56 N -0.108963 -0.538423 9.216121 27 55 57 N 8.391614 5.213949 -5.531346 27 58 58 N 8.551941 6.244624 -5.942556 27 57 59 N -8.385992 -0.579650 -9.450485 27 60 60 N -8.163420 -0.487673 -8.355454 27 59 61 N 4.224815 6.686789 1.656940 27 62 62 N 3.673616 6.012999 0.950344 27 61 63 N -2.361702 3.844568 -8.547594 27 64 64 N -1.551009 3.116088 -8.284567 27 63 65 N 5.091291 -0.601536 2.619449 27 66 66 N 4.333144 -0.411964 1.815480 27 65 67 N 0.435651 -2.898922 -5.060065 27 68 68 N 0.569306 -3.953738 -5.415861 27 67 69 N -1.772251 0.409359 0.505986 27 70 70 N -2.615882 1.002306 0.946202 27 69 71 N 2.531440 -4.204727 -2.436540 27 72 72 N 3.149607 -3.348947 -2.058914 27 71 73 N 1.299645 -3.509448 8.256569 27 74 74 N 1.887605 -3.000137 7.449106 27 73 75 N -0.365687 3.371528 1.871322 27 76 76 N 0.631994 3.817092 2.122704 27 75 77 N -7.394004 2.193050 2.766463 27 78 78 N -7.421399 3.292213 2.985963 27 77 79 N 5.189969 -3.760231 4.924406 27 80 80 N 4.770364 -4.389540 5.752047 27 79 81 N -3.180377 1.996514 -2.563057 27 82 82 N -4.080465 2.072113 -3.227299 27 81 83 N -2.835683 7.790045 3.881400 27 84 84 N -2.147236 7.688533 4.760504 27 83 85 N -8.276550 5.868922 0.253697 27 86 86 N -8.261569 6.033163 1.362701 27 85 87 N -2.429507 -0.444326 5.753219 27 88 88 N -2.898048 -0.262171 4.751032 27 87 89 N -3.651231 9.123589 -2.877711 27 90 90 N -3.683145 8.403731 -3.736708 27 89 91 N 8.200635 -3.002791 3.785972 27 92 92 N 8.381424 -2.223396 3.000512 27 91 93 N -2.518070 -3.794458 6.081672 27 94 94 N -2.921079 -4.822740 5.888513 27 93 95 N -2.550425 5.398849 -5.202467 27 96 96 N -3.100820 4.973964 -4.322905 27 95 97 N 4.245552 -3.315911 -5.853916 27 98 98 N 4.256331 -4.383000 -5.509977 27 97 99 N -6.079464 -1.267545 6.757372 27 100 100 N -5.225226 -1.991818 6.810255 27 99 101 N -3.185596 4.642712 3.717072 27 102 102 N -3.704582 3.649237 3.744444 27 101 103 N -8.081881 3.044224 -8.488313 27 104 104 N -7.666221 3.876990 -7.863159 27 103 105 N -0.031610 3.092655 -2.792036 27 106 106 N 0.638453 2.210747 -2.617840 27 105 107 N 1.422327 0.055351 5.127785 27 108 108 N 0.712591 0.407113 4.334295 27 107 109 N 7.488213 2.124749 1.682325 27 110 110 N 6.523557 2.313378 1.142931 27 109 111 N -5.829107 -7.911107 9.363920 27 112 112 N -6.487970 -7.302790 8.690912 27 111 113 N -3.617625 8.379994 0.517251 27 114 114 N -4.532818 7.901517 0.953796 27 113 115 N 7.093567 -8.297526 -0.255493 27 116 116 N 7.217684 -9.194699 0.405389 27 115 117 N 2.451501 -3.753662 1.314861 27 118 118 N 2.729688 -4.004108 2.371733 27 117 119 N -7.716638 -8.437270 5.707721 27 120 120 N -8.618500 -9.028697 6.014234 27 119 121 N -0.500330 -6.666592 3.169613 27 122 122 N -1.304192 -5.890841 3.074181 27 121 123 N -2.499888 -2.454697 2.269780 27 124 124 N -1.389435 -2.309141 2.322680 27 123 125 N 5.929397 -5.726157 -2.306637 27 126 126 N 6.379222 -5.263988 -3.223778 27 125 127 N -3.068199 -5.966573 -6.449845 27 128 128 N -3.458876 -6.926687 -6.022478 27 127 129 N -4.568408 -5.393745 -3.084064 27 130 130 N -5.629020 -5.611203 -2.792680 27 129 131 N -1.273097 0.201670 -4.682407 27 132 132 N -1.020415 0.486136 -5.737073 27 131 133 N -5.674930 6.567765 -2.051640 27 134 134 N -5.901214 5.503283 -2.321382 27 133 135 N -0.142846 -7.130665 -4.118467 27 136 136 N 0.275929 -7.939131 -4.772760 27 135 137 N 4.821458 6.126837 -6.910226 27 138 138 N 5.580873 6.624594 -7.567962 27 137 139 N -4.493259 -0.943611 -1.012389 27 140 140 N -4.847920 -1.872822 -0.494824 27 139 141 N -4.900319 6.125706 8.244325 27 142 142 N -4.863557 7.217749 7.992968 27 141 143 N -8.120929 -0.299747 -0.202491 27 144 144 N -9.197464 -0.284711 0.110455 27 143 145 N -5.173180 -7.988222 3.376948 27 146 146 N -4.530134 -7.523099 4.168935 27 145 147 N -8.600616 -5.100787 -4.454304 27 148 148 N -8.606502 -4.560780 -5.436876 27 147 149 N 7.857468 5.285634 6.579917 27 150 150 N 7.706688 4.304518 6.058605 27 149 151 N 3.730275 4.251178 7.489526 27 152 152 N 4.535681 4.515123 8.223516 27 151 153 N 4.112507 -6.204197 -9.112346 27 154 154 N 5.147348 -5.776195 -9.057492 27 153 155 N -4.286398 1.630877 8.286802 27 156 156 N -4.770344 1.563479 7.277670 27 155 157 N 6.014618 -7.810737 4.559749 27 158 158 N 6.438546 -7.758226 5.596386 27 157 159 N 3.718655 -7.482720 -6.137087 27 160 160 N 3.904374 -7.778482 -5.071665 27 159 161 N 0.066030 -6.936220 -7.955085 27 162 162 N 0.849999 -7.002038 -8.753929 27 161 163 N 2.075746 -7.661878 5.464963 27 164 164 N 1.886674 -6.843816 6.208007 27 163 165 N -3.805481 -6.474449 1.139813 27 166 166 N -3.668253 -5.737423 0.306116 27 165 167 N 4.515122 0.446742 7.216741 27 168 168 N 3.562307 0.106256 7.699753 27 167 169 N -8.149221 -4.938789 6.055254 27 170 170 N -8.101568 -3.819781 6.106619 27 169 171 N 2.540629 -0.187081 -4.041072 27 172 172 N 3.562607 -0.362789 -3.614720 27 171 173 N 4.568677 3.205761 3.962236 27 174 174 N 4.909573 4.272065 3.900003 27 173 175 N 6.963631 -1.715650 -6.873919 27 176 176 N 7.135615 -0.623078 -7.057761 27 175 177 N 1.079771 -0.829825 -1.152345 27 178 178 N 1.391198 -0.950422 -0.082037 27 177 179 N 9.417853 7.684528 9.179912 27 180 180 N 8.560305 8.393273 9.040694 27 179 181 N -0.136340 -6.189027 -0.199171 27 182 182 N -0.361249 -7.145274 -0.739633 27 181 183 N -7.258247 6.605637 4.945088 27 184 184 N -6.487761 6.932534 4.199045 27 183 185 N -6.542608 6.286160 -6.388042 27 186 186 N -5.780863 6.632391 -7.134339 27 185 187 N 2.354686 3.573010 -7.429865 27 188 188 N 1.640030 2.832704 -6.984554 27 187 189 N 6.118655 2.564348 -7.763828 27 190 190 N 6.948921 2.353430 -8.487197 27 189 191 N 0.829879 7.300369 -6.317776 27 192 192 N 1.785330 7.482870 -6.875358 27 191 193 N -9.147091 8.050695 -3.165609 27 194 194 N -8.762070 8.655942 -2.303911 27 193 195 N 1.316218 7.356634 4.557893 27 196 196 N 1.539165 6.263415 4.668595 27 195 197 N 8.902417 -6.467544 3.490960 27 198 198 N 8.529251 -6.629608 2.446176 27 197 199 N 6.120824 -4.459122 1.210715 27 200 200 N 5.986358 -3.808469 0.307577 27 199 201 N -8.083915 1.622492 6.118903 27 202 202 N -8.996230 1.240066 5.591150 27 201 203 N 2.860584 -7.581155 -1.698953 27 204 204 N 3.591261 -8.133232 -1.052107 27 203 205 N 7.797805 -2.818990 7.853450 27 206 206 N 6.782481 -2.344887 7.891297 27 205 207 N -7.052520 2.761660 -5.028518 27 208 208 N -7.140326 2.358550 -3.985982 27 207 209 N -1.722395 -3.335134 -1.311926 27 210 210 N -1.249471 -3.278241 -2.326911 27 209 211 N -6.489025 -4.646203 1.656715 27 212 212 N -5.920584 -3.911460 2.284502 27 211 212 Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081) 18.273600 18.273600 18.273600 90.000000 90.000000 90.000000 1 N -3.700973 3.147040 0.753936 27 2 2 N -4.339735 2.360285 0.274260 27 1 3 N 7.204656 1.449094 -4.061240 27 4 4 N 6.656300 1.499722 -5.037884 27 3 5 N -5.909643 -3.287549 -7.010661 27 6 6 N -5.682661 -2.339996 -7.565379 27 5 7 N 6.087391 7.620990 4.114872 27 8 8 N 5.594165 7.617455 3.107993 27 7 9 N -0.282050 4.161308 5.288517 27 10 10 N -0.693176 3.847755 6.283379 27 9 11 N -1.475778 -7.913749 8.054304 27 12 12 N -1.366278 -7.490300 7.021933 27 11 13 N 6.874980 -3.030648 -2.341444 27 14 14 N 6.950121 -1.971827 -2.702473 27 13 15 N -3.485310 8.596558 -6.933872 27 16 16 N -2.829533 7.719770 -6.692442 27 15 17 N -6.249102 -7.552329 -6.927097 27 18 18 N -6.466889 -7.732935 -5.842182 27 17 19 N 3.255734 9.428952 8.442560 27 20 20 N 2.815655 8.815552 9.271511 27 19 21 N -1.031152 6.506239 -1.346106 27 22 22 N -1.799852 5.706951 -1.180793 27 21 23 N 6.230277 7.783824 -3.271499 27 24 24 N 6.904825 7.619011 -2.391209 27 23 25 N -5.003444 0.900156 -5.717460 27 26 26 N -4.673552 1.918204 -6.051883 27 25 27 N -2.203184 -2.855046 9.500476 27 28 28 N -2.652912 -2.174900 8.730908 27 27 29 N 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