P48526 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	Isoleucine--tRNA ligase, mitochondrial (EC 6.1.1.5) (Isoleucyl-tRNA synthetase) (IleRS)
Uniprot ID	P48526
Systematic gene name	YPL040C
Standard gene name	ISM1
Gene names	ISM1 YPL040C P7102.10
Description from SGD	YPL040C ISM1 SGDID:S000005961, Chr XVI from 479001-475993, Genome Release 64-3-1, reverse complement, Verified ORF, "Mitochondrial isoleucyl-tRNA synthetase; null mutant is deficient in respiratory growth; human homolog IARS2 implicated in mitochondrial diseases, can partially complement yeast null mutant"
Protein length	1002
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MKRSRLVPQH IFSIISKRYL AKHAYQKTLN LPKTKFPNRS NLEITLRELI
PKSSQLVYKE QLRDFFEEFS KLNTTDEKLE FIKEKLFILH DGPPYANGEL
HLGHALNKIL KDIINRYQLS QGKYIFYKPG WDCHGLPIEI KALKDLSAQQ
IESISPLKIR SMALKHAQKA IKRQRETFQH FAILTDWETP YLTMDKDYEI
NQLNIFKEMY ERGLIKRQNK PVYWGTETRT ALAEGELEYN ENHKSIAAYV
KFPLEKKSQM DLCKKLGITN NLPIYCLIWT STPWTLLSNR AICFNQDFSY
SLLRLNSELI LVETGSIDKL GLTTNSFETI KQFQGTHLNG LYYQNLLVDD
KVGRPLLHGA HVTSGTGTGL VHTAPGHGQD DYLIGIQNGL EIYSPVDHQG
RYQLNELPQS VRSIVRDEGD LTKGRQVLDA ETAKIILCKL SDLNLLYKSH
EYTHSYPYDW RSKKPVIIRA TPQWFADLHD VKNLALESIS RVKFCPKRGY
SRLSSFMKSR NEWCISRQRS WGIPILSFYK KSEPDSVLMN SEILAHAIEK
IKQKGINAWF NDKDNDMKEW LPEKYHDVAH EYCRSQDTMD VWFDSGSSWS
VIKDFYEKSL KLSKLPSPLY QVCLEGSDQH RGWFQSSLLT KVASSNVPVA
PYEEVITHGF TLDENGLKMS KSVGNTISPE AIIRGDENLG LPALGVDGLR
YLIAQSNFT T DIVAGPTVMK HVGEALKKVR LTFRYLLSNL QKSQDFNLLP
IEQLRRVDQY TLYKINELLE TTREHYQKYN FSKVLITLQY HLNNELSAFY
FDISKDILYS NQISSLARRQ VQTTLVHILN AYRAILAPIL PVMVQEVWKY
IPEGWLQGQE HIDINPMRGK WPFLDSNTEI VTSFENFELK ILKQFQEEFK
RLSLEEGVTK TTHSHVTIFT KHHLPFSSDE LCDILQSSAV DILQMDDNNN
SLPTIELGSG INVQILVERS KRHNCPRCWK ANSAEEDKLC DRCKEAVDHL
MS

Legend

X Phoshorylation

Structure

Structure visualized

Loading structure by GLmol written by biochem_fan. The structure was downloaded from the AlphaFold Protein Structure Database. id="glmol01_src" style="display: none;"> -66.463 -25.678 45.478 1.00 34.09 N -65.732 -26.635 44.617 1.00 34.09 C -64.232 -26.436 44.820 1.00 34.09 C -63.781 -25.308 44.746 1.00 34.09 O -66.123 -26.458 43.140 1.00 34.09 C -67.268 -27.388 42.719 1.00 34.09 C -67.916 -26.966 41.084 1.00 34.09 S -68.671 -28.526 40.549 1.00 34.09 C -63.544 -27.536 45.177 1.00 32.87 N -62.091 -27.851 45.241 1.00 32.87 C -61.116 -26.761 44.742 1.00 32.87 C -61.298 -26.281 43.639 1.00 32.87 O -61.908 -29.091 44.332 1.00 32.87 C -62.678 -30.352 44.784 1.00 32.87 C -62.616 -31.467 43.724 1.00 32.87 C -63.384 -32.719 44.187 1.00 32.87 C -63.457 -33.770 43.134 1.00 32.87 N1+ -59.978 -26.430 45.365 1.00 31.19 N -59.207 -26.900 46.536 1.00 31.19 C -58.164 -25.791 46.789 1.00 31.19 C -57.344 -25.553 45.905 1.00 31.19 O -58.422 -28.191 46.173 1.00 31.19 C -58.968 -29.509 46.740 1.00 31.19 C -58.165 -30.691 46.165 1.00 31.19 C -58.554 -31.985 46.766 1.00 31.19 N -58.109 -33.185 46.419 1.00 31.19 C -57.295 -33.362 45.414 1.00 31.19 N1+ -58.480 -34.246 47.079 1.00 31.19 N -58.150 -25.158 47.962 1.00 31.62 N -57.005 -24.357 48.408 1.00 31.62 C -55.875 -25.312 48.803 1.00 31.62 C -56.033 -26.174 49.667 1.00 31.62 O -57.396 -23.422 49.564 1.00 31.62 C -58.066 -24.132 50.587 1.00 31.62 O -54.734 -25.229 48.111 1.00 36.72 N -53.517 -25.939 48.514 1.00 36.72 C -52.803 -25.099 49.566 1.00 36.72 C -52.165 -24.104 49.244 1.00 36.72 O -52.612 -26.255 47.311 1.00 36.72 C -53.057 -27.525 46.570 1.00 36.72 C -52.050 -27.867 45.464 1.00 36.72 C -52.372 -29.141 44.790 1.00 36.72 N -51.674 -29.694 43.809 1.00 36.72 C -50.602 -29.134 43.324 1.00 36.72 N1+ -52.038 -30.834 43.290 1.00 36.72 N -52.926 -25.542 50.813 1.00 34.25 N -52.015 -25.219 51.904 1.00 34.25 C -50.581 -25.541 51.462 1.00 34.25 C -50.257 -26.696 51.177 1.00 34.25 O -52.422 -26.071 53.124 1.00 34.25 C -53.665 -25.532 53.858 1.00 34.25 C -54.426 -26.665 54.546 1.00 34.25 C -53.256 -24.505 54.913 1.00 34.25 C -49.733 -24.517 51.388 1.00 35.87 N -48.281 -24.686 51.291 1.00 35.87 C -47.784 -25.131 52.676 1.00 35.87 C -48.068 -24.441 53.656 1.00 35.87 O -47.598 -23.386 50.826 1.00 35.87 C -46.073 -23.540 50.768 1.00 35.87 C -48.083 -22.998 49.421 1.00 35.87 C -47.079 -26.269 52.812 1.00 38.00 N -46.637 -26.754 54.117 1.00 38.00 C -45.555 -25.841 54.711 1.00 38.00 C -44.592 -25.489 54.025 1.00 38.00 O -46.122 -28.184 53.894 1.00 38.00 C -46.670 -28.578 52.524 1.00 38.00 C -46.778 -27.251 51.785 1.00 38.00 C -45.662 -25.542 56.011 1.00 41.77 N -44.712 -24.760 56.829 1.00 41.77 C -43.236 -25.210 56.724 1.00 41.77 C -42.329 -24.483 57.124 1.00 41.77 O -45.170 -24.836 58.298 1.00 41.77 C -46.347 -23.898 58.623 1.00 41.77 C -46.859 -24.077 60.053 1.00 41.77 C -47.441 -23.066 60.659 1.00 41.77 N -46.766 -25.139 60.641 1.00 41.77 O -42.962 -26.367 56.120 1.00 35.79 N -41.612 -26.868 55.889 1.00 35.79 C -40.805 -26.069 54.844 1.00 35.79 C -39.576 -26.051 54.917 1.00 35.79 O -41.694 -28.361 55.535 1.00 35.79 C -40.729 -29.171 56.355 1.00 35.79 C -41.010 -30.311 57.059 1.00 35.79 C -39.417 -28.840 56.614 1.00 35.79 N -38.921 -29.760 57.459 1.00 35.79 C -39.853 -30.678 57.749 1.00 35.79 N -41.464 -25.360 53.914 1.00 40.88 N -40.786 -24.488 52.933 1.00 40.88 C -40.303 -23.185 53.593 1.00 40.88 C -39.209 -22.713 53.285 1.00 40.88 O -41.686 -24.275 51.687 1.00 40.88 C -41.787 -25.613 50.912 1.00 40.88 C -41.149 -23.161 50.771 1.00 40.88 C -42.727 -25.595 49.701 1.00 40.88 C -41.028 -22.664 54.589 1.00 38.02 N -40.607 -21.478 55.347 1.00 38.02 C -39.326 -21.720 56.164 1.00 38.02 C -38.469 -20.844 56.242 1.00 38.02 O -41.767 -20.990 56.233 1.00 38.02 C -42.430 -19.740 55.691 1.00 38.02 C -41.923 -18.476 56.049 1.00 38.02 C -43.524 -19.830 54.809 1.00 38.02 C -42.512 -17.307 55.536 1.00 38.02 C -44.111 -18.659 54.295 1.00 38.02 C -43.606 -17.399 54.659 1.00 38.02 C -39.140 -22.932 56.696 1.00 37.83 N -37.939 -23.311 57.458 1.00 37.83 C -36.675 -23.461 56.593 1.00 37.83 C -35.569 -23.206 57.075 1.00 37.83 O -38.242 -24.604 58.228 1.00 37.83 C -37.058 -25.260 58.633 1.00 37.83 O -36.815 -23.860 55.324 1.00 37.54 N -35.682 -24.000 54.391 1.00 37.54 C -35.339 -22.648 53.746 1.00 37.54 C -34.172 -22.384 53.449 1.00 37.54 O -35.970 -25.125 53.369 1.00 37.54 C -36.065 -26.481 54.114 1.00 37.54 C -34.884 -25.192 52.276 1.00 37.54 C -36.486 -27.666 53.238 1.00 37.54 C -36.328 -21.764 53.587 1.00 38.55 N -36.109 -20.389 53.128 1.00 38.55 C -35.437 -19.553 54.230 1.00 38.55 C -34.475 -18.853 53.926 1.00 38.55 O -37.424 -19.790 52.576 1.00 38.55 C -37.830 -20.550 51.287 1.00 38.55 C -37.270 -18.290 52.264 1.00 38.55 C -39.217 -20.177 50.753 1.00 38.55 C -35.825 -19.687 55.506 1.00 43.43 N -35.237 -18.876 56.588 1.00 43.43 C -33.778 -19.225 56.911 1.00 43.43 C -32.981 -18.328 57.173 1.00 43.43 O -36.103 -18.921 57.851 1.00 43.43 C -36.000 -20.163 58.520 1.00 43.43 O -33.366 -20.498 56.804 1.00 37.12 N -31.965 -20.895 57.061 1.00 37.12 C -30.985 -20.534 55.939 1.00 37.12 C -29.785 -20.474 56.189 1.00 37.12 O -31.878 -22.382 57.442 1.00 37.12 C -32.208 -22.586 58.929 1.00 37.12 C -31.991 -24.043 59.360 1.00 37.12 C -32.211 -24.172 60.873 1.00 37.12 C -32.010 -25.563 61.354 1.00 37.12 N1+ -31.454 -20.250 54.716 1.00 39.69 N -30.579 -19.798 53.615 1.00 39.69 C -30.160 -18.329 53.722 1.00 39.69 C -29.168 -17.959 53.099 1.00 39.69 O -31.218 -20.114 52.251 1.00 39.69 C -30.628 -21.401 51.659 1.00 39.69 C -31.220 -21.675 50.274 1.00 39.69 C -30.494 -22.757 49.578 1.00 39.69 N -30.856 -23.343 48.450 1.00 39.69 C -31.945 -22.999 47.818 1.00 39.69 N1+ -30.128 -24.297 47.937 1.00 39.69 N -30.853 -17.519 54.524 1.00 44.90 N -30.544 -16.093 54.682 1.00 44.90 C -29.320 -15.791 55.561 1.00 44.90 C -28.817 -14.676 55.514 1.00 44.90 O -31.797 -15.325 55.121 1.00 44.90 C -32.649 -14.911 53.938 1.00 44.90 C -32.263 -13.797 53.170 1.00 44.90 C -33.791 -15.647 53.575 1.00 44.90 C -33.021 -13.424 52.047 1.00 44.90 C -34.558 -15.266 52.456 1.00 44.90 C -34.181 -14.140 51.698 1.00 44.90 C -34.927 -13.750 50.631 1.00 44.90 O -28.783 -16.788 56.272 1.00 44.01 N -27.548 -16.671 57.065 1.00 44.01 C -26.267 -16.999 56.273 1.00 44.01 C -25.167 -16.977 56.820 1.00 44.01 O -27.694 -17.550 58.320 1.00 44.01 C -28.576 -16.898 59.401 1.00 44.01 C -29.089 -17.969 60.364 1.00 44.01 C -27.794 -15.858 60.204 1.00 44.01 C -26.372 -17.321 54.981 1.00 51.56 N -25.195 -17.533 54.149 1.00 51.56 C -24.615 -16.183 53.699 1.00 51.56 C -25.337 -15.365 53.119 1.00 51.56 O -25.568 -18.441 52.970 1.00 51.56 C -23.294 -15.981 53.871 1.00 56.12 N -22.529 -14.990 53.087 1.00 56.12 C -23.021 -15.112 51.637 1.00 56.12 C -22.896 -16.190 51.065 1.00 56.12 O -21.007 -15.275 53.164 1.00 56.12 C -20.274 -14.564 54.317 1.00 56.12 C -18.772 -14.917 54.339 1.00 56.12 C -18.027 -14.076 55.389 1.00 56.12 C -16.600 -14.473 55.526 1.00 56.12 N1+ -23.619 -14.052 51.082 1.00 67.65 N -24.220 -13.985 49.732 1.00 67.65 C -25.710 -14.367 49.558 1.00 67.65 C -26.146 -14.535 48.417 1.00 67.65 O -23.319 -14.641 48.661 1.00 67.65 C -21.854 -14.331 48.825 1.00 67.65 C -20.862 -15.204 49.187 1.00 67.65 C -21.284 -13.085 48.727 1.00 67.65 N -19.981 -13.201 49.028 1.00 67.65 C -19.679 -14.472 49.330 1.00 67.65 N -26.529 -14.416 50.617 1.00 76.98 N -27.973 -14.705 50.517 1.00 76.98 C -28.730 -13.869 49.455 1.00 76.98 C -29.596 -14.388 48.750 1.00 76.98 O -28.601 -14.491 51.897 1.00 76.98 C -28.359 -12.596 49.284 1.00 86.17 N -29.014 -11.665 48.356 1.00 86.17 C -28.345 -11.563 46.977 1.00 86.17 C -28.796 -10.795 46.135 1.00 86.17 O -29.140 -10.292 49.024 1.00 86.17 C -29.953 -10.318 50.301 1.00 86.17 C -31.358 -10.244 50.243 1.00 86.17 C -29.304 -10.431 51.546 1.00 86.17 C -32.107 -10.241 51.436 1.00 86.17 C -30.056 -10.471 52.736 1.00 86.17 C -31.460 -10.357 52.684 1.00 86.17 C -32.194 -10.368 53.824 1.00 86.17 O -27.295 -12.337 46.680 1.00 85.80 N -26.567 -12.203 45.407 1.00 85.80 C -27.468 -12.414 44.179 1.00 85.80 C -27.280 -11.771 43.149 1.00 85.80 O -25.401 -13.197 45.401 1.00 85.80 C -24.494 -13.052 44.167 1.00 85.80 C -23.358 -14.067 44.145 1.00 85.80 C -22.414 -13.926 43.242 1.00 85.80 N -23.302 -15.015 44.908 1.00 85.80 O -28.472 -13.295 44.287 1.00 86.21 N -29.427 -13.571 43.202 1.00 86.21 C -30.422 -12.436 42.948 1.00 86.21 C -31.053 -12.447 41.898 1.00 86.21 O -30.185 -14.876 43.472 1.00 86.21 C -29.267 -16.104 43.420 1.00 86.21 C -30.108 -17.382 43.482 1.00 86.21 C -29.198 -18.609 43.405 1.00 86.21 C -29.996 -19.857 43.349 1.00 86.21 N1+ -30.565 -11.491 43.879 1.00 90.17 N -31.465 -10.336 43.740 1.00 90.17 C -30.752 -9.099 43.187 1.00 90.17 C -31.378 -8.053 43.026 1.00 90.17 O -32.190 -10.002 45.056 1.00 90.17 C -32.798 -11.222 45.749 1.00 90.17 C -31.323 -9.417 45.994 1.00 90.17 O -29.446 -9.187 42.908 1.00 91.66 N -28.682 -8.133 42.241 1.00 91.66 C -28.819 -8.235 40.719 1.00 91.66 C -28.790 -9.324 40.136 1.00 91.66 O -27.201 -8.205 42.650 1.00 91.66 C -26.907 -7.824 44.111 1.00 91.66 C -25.445 -8.148 44.424 1.00 91.66 C -27.136 -6.336 44.376 1.00 91.66 C -28.849 -7.079 40.066 1.00 90.83 N -28.845 -6.940 38.612 1.00 90.83 C -27.420 -7.067 38.053 1.00 90.83 C -26.899 -6.158 37.413 1.00 90.83 O -29.546 -5.623 38.255 1.00 90.83 C -31.021 -5.669 38.580 1.00 90.83 C -31.574 -4.620 39.134 1.00 90.83 N -31.694 -6.657 38.338 1.00 90.83 O -26.767 -8.199 38.339 1.00 91.14 N -25.383 -8.436 37.934 1.00 91.14 C -25.234 -8.440 36.403 1.00 91.14 C -26.128 -8.953 35.716 1.00 91.14 O -24.851 -9.754 38.521 1.00 91.14 C -24.751 -9.777 40.054 1.00 91.14 C -24.249 -11.150 40.507 1.00 91.14 C -23.795 -8.715 40.600 1.00 91.14 C -24.093 -7.966 35.868 1.00 91.45 N -23.911 -7.851 34.431 1.00 91.45 C -23.957 -9.206 33.713 1.00 91.45 C -23.304 -10.171 34.122 1.00 91.45 O -22.580 -7.136 34.217 1.00 91.45 C -22.164 -6.591 35.569 1.00 91.45 C -22.951 -7.408 36.584 1.00 91.45 C -24.699 -9.285 32.602 1.00 91.86 N -24.893 -10.509 31.808 1.00 91.86 C -24.754 -10.232 30.314 1.00 91.86 C -25.559 -9.525 29.730 1.00 91.86 O -26.283 -11.097 32.106 1.00 91.86 C -26.394 -11.686 33.520 1.00 91.86 C -27.844 -12.059 33.851 1.00 91.86 C -27.966 -12.390 35.342 1.00 91.86 C -29.381 -12.584 35.747 1.00 91.86 N1+ -23.776 -10.863 29.662 1.00 93.27 N -23.678 -10.878 28.193 1.00 93.27 C -23.024 -12.157 27.679 1.00 93.27 C -22.116 -12.716 28.309 1.00 93.27 O -22.953 -9.640 27.638 1.00 93.27 C -21.486 -9.555 28.047 1.00 93.27 C -22.978 -9.695 26.230 1.00 93.27 O -23.476 -12.600 26.502 1.00 94.14 N -22.873 -13.706 25.748 1.00 94.14 C -21.646 -13.271 24.932 1.00 94.14 C -20.975 -14.142 24.391 1.00 94.14 O -23.931 -14.379 24.856 1.00 94.14 C -25.046 -15.086 25.644 1.00 94.14 C -25.979 -15.841 24.683 1.00 94.14 C -27.117 -16.539 25.440 1.00 94.14 C -28.012 -17.288 24.518 1.00 94.14 N1+ -21.335 -11.972 24.863 1.00 95.58 N -20.158 -11.456 24.155 1.00 95.58 C -18.858 -11.997 24.780 1.00 95.58 C -18.584 -11.687 25.940 1.00 95.58 O -20.169 -9.926 24.197 1.00 95.58 C -18.944 -9.305 23.556 1.00 95.58 C -18.033 -8.567 24.332 1.00 95.58 C -18.708 -9.467 22.180 1.00 95.58 C -16.915 -7.967 23.729 1.00 95.58 C -17.594 -8.865 21.576 1.00 95.58 C -16.701 -8.108 22.348 1.00 95.58 C -18.055 -12.819 24.085 1.00 94.19 N -17.009 -13.605 24.736 1.00 94.19 C -15.818 -12.755 25.197 1.00 94.19 C -15.538 -11.700 24.639 1.00 94.19 O -16.628 -14.693 23.727 1.00 94.19 C -17.062 -14.150 22.365 1.00 94.19 C -18.189 -13.168 22.678 1.00 94.19 C -15.059 -13.236 26.188 1.00 91.26 N -13.874 -12.533 26.715 1.00 91.26 C -12.688 -12.491 25.736 1.00 91.26 C -11.784 -11.678 25.906 1.00 91.26 O -13.415 -13.218 28.015 1.00 91.26 C -14.343 -12.996 29.191 1.00 91.26 C -14.230 -13.801 30.220 1.00 91.26 N -15.173 -12.110 29.214 1.00 91.26 O -12.662 -13.390 24.749 1.00 91.08 N -11.622 -13.498 23.720 1.00 91.08 C -12.290 -13.631 22.357 1.00 91.08 C -13.403 -14.150 22.283 1.00 91.08 O -10.702 -14.702 23.990 1.00 91.08 C -9.922 -14.583 25.310 1.00 91.08 C -8.968 -15.773 25.476 1.00 91.08 C -8.254 -15.733 26.770 1.00 91.08 N -7.372 -16.625 27.197 1.00 91.08 C -7.028 -17.658 26.481 1.00 91.08 N1+ -6.807 -16.498 28.365 1.00 91.08 N -11.616 -13.166 21.312 1.00 91.22 N -12.060 -13.377 19.938 1.00 91.22 C -11.937 -14.854 19.559 1.00 91.22 C -11.064 -15.575 20.046 1.00 91.22 O -11.262 -12.490 18.974 1.00 91.22 C -9.875 -12.698 19.157 1.00 91.22 O -12.830 -15.310 18.685 1.00 94.87 N -12.741 -16.619 18.051 1.00 94.87 C -12.314 -16.413 16.593 1.00 94.87 C -13.022 -15.744 15.836 1.00 94.87 O -14.088 -17.339 18.224 1.00 94.87 C -14.108 -18.711 17.572 1.00 94.87 C -14.592 -19.726 18.245 1.00 94.87 N -13.691 -18.887 16.443 1.00 94.87 O -11.162 -16.970 16.206 1.00 94.66 N -10.598 -16.764 14.871 1.00 94.66 C -11.460 -17.402 13.771 1.00 94.66 C -11.635 -16.806 12.716 1.00 94.66 O -9.148 -17.285 14.839 1.00 94.66 C -8.425 -17.043 13.497 1.00 94.66 C -8.321 -15.556 13.145 1.00 94.66 C -7.009 -17.615 13.561 1.00 94.66 C -12.044 -18.576 14.005 1.00 95.59 N -12.881 -19.250 13.005 1.00 95.59 C -14.164 -18.459 12.718 1.00 95.59 C -14.501 -18.222 11.557 1.00 95.59 O -13.185 -20.672 13.492 1.00 95.59 C -13.909 -21.514 12.430 1.00 95.59 C -14.129 -22.969 12.873 1.00 95.59 C -14.562 -23.763 12.003 1.00 95.59 O -13.887 -23.278 14.057 1.00 95.59 O1- -14.830 -17.973 13.771 1.00 95.97 N -16.000 -17.088 13.647 1.00 95.97 C -15.599 -15.765 12.983 1.00 95.97 C -16.318 -15.262 12.120 1.00 95.97 O -16.659 -16.859 15.028 1.00 95.97 C -17.190 -18.197 15.594 1.00 95.97 C -17.796 -15.822 14.942 1.00 95.97 C -17.781 -18.106 17.008 1.00 95.97 C -14.432 -15.223 13.342 1.00 97.00 N -13.877 -14.014 12.719 1.00 97.00 C -13.765 -14.165 11.207 1.00 97.00 C -14.346 -13.368 10.474 1.00 97.00 O -12.514 -13.647 13.319 1.00 97.00 C -11.821 -12.513 12.563 1.00 97.00 C -12.683 -13.307 14.677 1.00 97.00 O -13.058 -15.198 10.747 1.00 95.36 N -12.769 -15.396 9.329 1.00 95.36 C -14.029 -15.727 8.517 1.00 95.36 C -14.195 -15.204 7.419 1.00 95.36 O -11.704 -16.499 9.175 1.00 95.36 C -10.311 -16.168 9.752 1.00 95.36 C -9.383 -17.373 9.581 1.00 95.36 C -9.669 -14.952 9.092 1.00 95.36 C -14.922 -16.577 9.045 1.00 95.32 N -16.094 -17.064 8.296 1.00 95.32 C -17.312 -16.150 8.365 1.00 95.32 C -18.049 -16.069 7.389 1.00 95.32 O -16.482 -18.471 8.765 1.00 95.32 C -15.445 -19.535 8.385 1.00 95.32 C -16.005 -20.914 8.745 1.00 95.32 C -15.074 -22.003 8.393 1.00 95.32 N -15.057 -23.191 8.969 1.00 95.32 C -15.989 -23.576 9.784 1.00 95.32 N1+ -14.080 -24.025 8.776 1.00 95.32 N -17.566 -15.510 9.506 1.00 95.44 N -18.803 -14.750 9.729 1.00 95.44 C -18.560 -13.241 9.805 1.00 95.44 C -19.268 -12.472 9.154 1.00 95.44 O -19.523 -15.255 11.000 1.00 95.44 C -20.957 -14.702 11.072 1.00 95.44 C -21.675 -14.883 12.418 1.00 95.44 C -22.633 -14.104 12.662 1.00 95.44 O -21.336 -15.753 13.248 1.00 95.44 O1- -17.593 -12.802 10.613 1.00 96.79 N -17.468 -11.382 10.953 1.00 96.79 C -16.808 -10.571 9.840 1.00 96.79 C -17.332 -9.518 9.491 1.00 96.79 O -16.728 -11.205 12.285 1.00 96.79 C -17.400 -11.868 13.499 1.00 96.79 C -16.493 -11.729 14.720 1.00 96.79 C -18.751 -11.228 13.829 1.00 96.79 C -15.715 -11.064 9.245 1.00 97.05 N -15.010 -10.356 8.165 1.00 97.05 C -15.925 -10.061 6.967 1.00 97.05 C -15.944 -8.903 6.535 1.00 97.05 O -13.716 -11.094 7.749 1.00 97.05 C -12.661 -10.908 8.853 1.00 97.05 C -13.195 -10.598 6.384 1.00 97.05 C -11.337 -11.607 8.547 1.00 97.05 C -16.705 -11.026 6.430 1.00 95.54 N -17.631 -10.733 5.338 1.00 95.54 C -18.638 -9.633 5.694 1.00 95.54 C -18.836 -8.710 4.902 1.00 95.54 O -18.321 -12.063 5.015 1.00 95.54 C -17.279 -13.101 5.423 1.00 95.54 C -16.648 -12.469 6.659 1.00 95.54 C -19.213 -9.689 6.906 1.00 94.58 N -20.215 -8.730 7.406 1.00 94.58 C -19.649 -7.346 7.709 1.00 94.58 C -20.374 -6.372 7.569 1.00 94.58 O -20.897 -9.292 8.661 1.00 94.58 C -21.821 -10.478 8.351 1.00 94.58 C -22.453 -11.001 9.647 1.00 94.58 C -23.336 -12.216 9.354 1.00 94.58 C -23.973 -12.744 10.589 1.00 94.58 N1+ -18.375 -7.251 8.088 1.00 95.71 N -17.708 -5.978 8.379 1.00 95.71 C -16.987 -5.377 7.170 1.00 95.71 C -16.445 -4.277 7.278 1.00 95.71 O -16.726 -6.159 9.543 1.00 95.71 C -15.579 -6.895 9.150 1.00 95.71 O -16.891 -6.100 6.047 1.00 97.04 N -16.019 -5.725 4.925 1.00 97.04 C -16.722 -5.865 3.573 1.00 97.04 C -17.338 -4.908 3.118 1.00 97.04 O -14.663 -6.452 4.985 1.00 97.04 C -14.222 -6.623 6.319 1.00 97.04 O -16.673 -7.030 2.921 1.00 95.80 N -17.125 -7.174 1.530 1.00 95.80 C -18.617 -6.882 1.340 1.00 95.80 C -18.985 -6.235 0.361 1.00 95.80 O -16.758 -8.578 1.032 1.00 95.80 C -17.063 -8.797 -0.462 1.00 95.80 C -16.537 -10.137 -0.967 1.00 95.80 C -16.499 -10.370 -2.261 1.00 95.80 N -16.149 -11.005 -0.206 1.00 95.80 O -19.473 -7.314 2.275 1.00 95.40 N -20.907 -7.017 2.209 1.00 95.40 C -21.161 -5.512 2.350 1.00 95.40 C -21.848 -4.935 1.514 1.00 95.40 O -21.672 -7.832 3.268 1.00 95.40 C -21.632 -9.357 3.046 1.00 95.40 C -22.387 -10.071 4.168 1.00 95.40 C -22.259 -9.776 1.714 1.00 95.40 C -20.502 -4.863 3.314 1.00 95.95 N -20.596 -3.407 3.529 1.00 95.95 C -20.160 -2.632 2.292 1.00 95.95 C -20.823 -1.678 1.898 1.00 95.95 O -19.726 -2.951 4.715 1.00 95.95 C -19.995 -1.491 5.091 1.00 95.95 C -19.962 -3.835 5.935 1.00 95.95 C -19.054 -3.046 1.666 1.00 97.56 N -18.539 -2.395 0.465 1.00 97.56 C -19.523 -2.490 -0.708 1.00 97.56 C -19.738 -1.496 -1.402 1.00 97.56 O -17.187 -3.005 0.089 1.00 97.56 C -16.581 -2.352 -1.136 1.00 97.56 C -16.827 -2.888 -2.414 1.00 97.56 C -15.799 -1.189 -1.001 1.00 97.56 C -16.271 -2.279 -3.554 1.00 97.56 C -15.215 -0.597 -2.135 1.00 97.56 C -15.450 -1.144 -3.413 1.00 97.56 C -14.798 -0.653 -4.495 1.00 97.56 O -20.137 -3.662 -0.914 1.00 96.55 N -21.143 -3.870 -1.966 1.00 96.55 C -22.410 -3.061 -1.712 1.00 96.55 C -22.913 -2.430 -2.634 1.00 96.55 O -21.478 -5.365 -2.093 1.00 96.55 C -20.335 -6.117 -2.778 1.00 96.55 C -20.628 -7.614 -2.955 1.00 96.55 C -19.434 -8.140 -3.748 1.00 96.55 C -19.493 -9.559 -4.154 1.00 96.55 N1+ -22.897 -3.061 -0.473 1.00 95.40 N -24.085 -2.305 -0.069 1.00 95.40 C -23.887 -0.803 -0.284 1.00 95.40 C -24.668 -0.189 -1.003 1.00 95.40 O -24.415 -2.598 1.402 1.00 95.40 C -25.024 -3.996 1.599 1.00 95.40 C -25.125 -4.420 3.077 1.00 95.40 C -25.580 -5.564 3.304 1.00 95.40 O -24.726 -3.636 3.975 1.00 95.40 O1- -22.809 -0.216 0.249 1.00 95.88 N -22.578 1.225 0.100 1.00 95.88 C -22.363 1.636 -1.364 1.00 95.88 C -22.819 2.698 -1.769 1.00 95.88 O -21.444 1.690 1.031 1.00 95.88 C -20.036 1.219 0.632 1.00 95.88 C -19.377 2.038 -0.472 1.00 95.88 C -18.626 1.413 -1.347 1.00 95.88 N -19.476 3.249 -0.519 1.00 95.88 O -21.715 0.794 -2.181 1.00 96.40 N -21.485 1.123 -3.588 1.00 96.40 C -22.781 1.037 -4.406 1.00 96.40 C -22.989 1.846 -5.306 1.00 96.40 O -20.384 0.215 -4.162 1.00 96.40 C -19.895 0.651 -5.553 1.00 96.40 C -19.240 2.036 -5.553 1.00 96.40 C -18.867 -0.355 -6.072 1.00 96.40 C -23.667 0.083 -4.092 1.00 96.83 N -25.006 0.023 -4.692 1.00 96.83 C -25.795 1.288 -4.363 1.00 96.83 C -26.324 1.910 -5.278 1.00 96.83 O -25.737 -1.233 -4.206 1.00 96.83 C -27.129 -1.364 -4.853 1.00 96.83 C -27.973 -2.438 -4.171 1.00 96.83 C -28.228 -2.064 -2.773 1.00 96.83 N -28.638 -2.832 -1.793 1.00 96.83 C -28.975 -4.081 -1.984 1.00 96.83 N1+ -28.699 -2.317 -0.600 1.00 96.83 N -25.818 1.684 -3.094 1.00 95.91 N -26.550 2.872 -2.651 1.00 95.91 C -25.993 4.153 -3.315 1.00 95.91 C -26.762 5.008 -3.754 1.00 95.91 O -26.498 2.965 -1.119 1.00 95.91 C -27.081 1.771 -0.337 1.00 95.91 C -27.689 0.824 -0.901 1.00 95.91 O -26.843 1.779 0.896 1.00 95.91 O1- -24.668 4.242 -3.511 1.00 97.59 N -24.043 5.300 -4.315 1.00 97.59 C -24.594 5.349 -5.743 1.00 97.59 C -24.975 6.420 -6.213 1.00 97.59 O -22.522 5.102 -4.375 1.00 97.59 C -21.820 6.006 -5.373 1.00 97.59 C -21.422 5.493 -6.621 1.00 97.59 C -21.615 7.368 -5.087 1.00 97.59 C -20.827 6.343 -7.567 1.00 97.59 C -21.009 8.213 -6.034 1.00 97.59 C -20.625 7.702 -7.283 1.00 97.59 C -24.637 4.211 -6.448 1.00 97.78 N -25.162 4.168 -7.815 1.00 97.78 C -26.644 4.559 -7.866 1.00 97.78 C -27.051 5.270 -8.785 1.00 97.78 O -24.972 2.775 -8.432 1.00 97.78 C -23.555 2.414 -8.837 1.00 97.78 C -22.885 3.158 -9.828 1.00 97.78 C -22.942 1.267 -8.303 1.00 97.78 C -21.615 2.748 -10.275 1.00 97.78 C -21.668 0.869 -8.744 1.00 97.78 C -21.002 1.612 -9.728 1.00 97.78 C -27.440 4.134 -6.883 1.00 97.37 N -28.852 4.503 -6.777 1.00 97.37 C -29.030 6.015 -6.595 1.00 97.37 C -29.815 6.621 -7.324 1.00 97.37 O -29.529 3.746 -5.625 1.00 97.37 C -29.754 2.259 -5.946 1.00 97.37 C -30.395 1.481 -4.784 1.00 97.37 C -30.357 0.227 -4.843 1.00 97.37 O -30.955 2.129 -3.871 1.00 97.37 O1- -28.288 6.651 -5.684 1.00 96.67 N -28.322 8.109 -5.509 1.00 96.67 C -27.811 8.855 -6.744 1.00 96.67 C -28.479 9.765 -7.235 1.00 96.67 O -27.511 8.533 -4.278 1.00 96.67 C -28.239 8.224 -2.964 1.00 96.67 C -27.491 8.777 -1.740 1.00 96.67 C -27.673 8.220 -0.638 1.00 96.67 O -26.731 9.763 -1.869 1.00 96.67 O1- -26.675 8.430 -7.299 1.00 96.85 N -26.071 9.046 -8.479 1.00 96.85 C -26.993 8.986 -9.705 1.00 96.85 C -27.054 9.934 -10.489 1.00 96.85 O -24.743 8.338 -8.768 1.00 96.85 C -23.980 8.943 -9.925 1.00 96.85 C -24.093 8.404 -11.219 1.00 96.85 C -23.171 10.070 -9.704 1.00 96.85 C -23.379 8.979 -12.284 1.00 96.85 C -22.457 10.647 -10.765 1.00 96.85 C -22.552 10.091 -12.052 1.00 96.85 C -27.740 7.888 -9.871 1.00 95.75 N -28.666 7.703 -10.996 1.00 95.75 C -29.848 8.678 -10.995 1.00 95.75 C -30.438 8.905 -12.050 1.00 95.75 O -29.183 6.261 -11.034 1.00 95.75 C -30.127 5.998 -10.013 1.00 95.75 O -30.172 9.280 -9.841 1.00 96.67 N -31.251 10.272 -9.697 1.00 96.67 C -30.843 11.666 -10.189 1.00 96.67 C -31.703 12.531 -10.324 1.00 96.67 O -31.712 10.335 -8.230 1.00 96.67 C -32.301 9.007 -7.726 1.00 96.67 C -32.486 9.022 -6.203 1.00 96.67 C -32.865 7.617 -5.720 1.00 96.67 C -32.861 7.519 -4.238 1.00 96.67 N1+ -29.551 11.894 -10.435 1.00 95.83 N -29.013 13.175 -10.889 1.00 95.83 C -29.105 13.284 -12.414 1.00 95.83 C -28.758 12.344 -13.138 1.00 95.83 O -27.565 13.337 -10.400 1.00 95.83 C -27.380 13.171 -8.881 1.00 95.83 C -25.897 13.240 -8.542 1.00 95.83 C -28.116 14.247 -8.080 1.00 95.83 C -29.521 14.448 -12.914 1.00 92.02 N -29.825 14.627 -14.334 1.00 92.02 C -28.702 15.343 -15.082 1.00 92.02 C -28.343 14.939 -16.190 1.00 92.02 O -31.164 15.365 -14.462 1.00 92.02 C -32.323 14.498 -14.007 1.00 92.02 C -33.214 15.029 -13.205 1.00 92.02 N -32.446 13.342 -14.373 1.00 92.02 O -28.125 16.385 -14.486 1.00 92.35 N -27.120 17.213 -15.162 1.00 92.35 C -25.696 16.742 -14.869 1.00 92.35 C -25.417 16.096 -13.857 1.00 92.35 O -27.287 18.697 -14.819 1.00 92.35 C -28.697 19.246 -15.080 1.00 92.35 C -26.955 18.892 -13.475 1.00 92.35 O -24.761 17.066 -15.766 1.00 90.18 N -23.335 16.773 -15.556 1.00 90.18 C -22.779 17.521 -14.343 1.00 90.18 C -21.986 16.948 -13.603 1.00 90.18 O -22.518 17.117 -16.808 1.00 90.18 C -21.042 16.730 -16.702 1.00 90.18 C -23.035 16.411 -17.914 1.00 90.18 O -23.209 18.762 -14.103 1.00 92.43 N -22.692 19.575 -12.996 1.00 92.43 C -23.174 19.063 -11.629 1.00 92.43 C -22.354 18.905 -10.727 1.00 92.43 O -23.039 21.054 -13.218 1.00 92.43 C -22.313 21.665 -14.428 1.00 92.43 C -21.187 21.211 -14.754 1.00 92.43 O -22.903 22.571 -15.051 1.00 92.43 O1- -24.453 18.682 -11.492 1.00 95.48 N -24.964 18.020 -10.276 1.00 95.48 C -24.196 16.729 -9.975 1.00 95.48 C -23.824 16.468 -8.832 1.00 95.48 O -26.439 17.637 -10.457 1.00 95.48 C -27.415 18.822 -10.403 1.00 95.48 C -28.804 18.454 -10.960 1.00 95.48 C -29.783 19.124 -10.579 1.00 95.48 O -28.878 17.551 -11.839 1.00 95.48 O1- -23.924 15.923 -11.011 1.00 95.83 N -23.150 14.681 -10.880 1.00 95.83 C -21.724 14.942 -10.411 1.00 95.83 C -21.217 14.194 -9.576 1.00 95.83 O -23.145 13.929 -12.216 1.00 95.83 C -24.488 13.237 -12.447 1.00 95.83 C -24.541 12.573 -13.823 1.00 95.83 C -25.906 11.899 -13.915 1.00 95.83 C -26.144 11.260 -15.224 1.00 95.83 N1+ -21.072 15.975 -10.943 1.00 95.22 N -19.711 16.337 -10.555 1.00 95.22 C -19.647 16.875 -9.122 1.00 95.22 C -18.743 16.476 -8.387 1.00 95.22 O -19.130 17.344 -11.562 1.00 95.22 C -18.767 16.738 -12.930 1.00 95.22 C -18.334 17.854 -13.882 1.00 95.22 C -17.621 15.725 -12.845 1.00 95.22 C -20.602 17.708 -8.701 1.00 95.72 N -20.643 18.197 -7.316 1.00 95.72 C -20.943 17.054 -6.338 1.00 95.72 C -20.230 16.885 -5.350 1.00 95.72 O -21.639 19.360 -7.166 1.00 95.72 C -21.427 20.141 -5.849 1.00 95.72 C -20.018 20.780 -5.727 1.00 95.72 C -19.450 20.906 -4.618 1.00 95.72 O -19.403 21.125 -6.764 1.00 95.72 O1- -21.896 16.174 -6.668 1.00 97.16 N -22.172 14.985 -5.863 1.00 97.16 C -20.940 14.084 -5.719 1.00 97.16 C -20.635 13.634 -4.618 1.00 97.16 O -23.332 14.202 -6.478 1.00 97.16 C -23.688 12.942 -5.712 1.00 97.16 C -23.178 11.694 -6.117 1.00 97.16 C -24.551 13.013 -4.604 1.00 97.16 C -23.557 10.522 -5.439 1.00 97.16 C -24.914 11.841 -3.916 1.00 97.16 C -24.413 10.597 -4.329 1.00 97.16 C -20.190 13.839 -6.800 1.00 97.10 N -18.939 13.068 -6.731 1.00 97.10 C -17.933 13.746 -5.801 1.00 97.10 C -17.350 13.084 -4.947 1.00 97.10 O -18.358 12.852 -8.146 1.00 97.10 C -19.175 11.744 -8.837 1.00 97.10 C -16.863 12.471 -8.119 1.00 97.10 C -18.917 11.646 -10.340 1.00 97.10 C -17.743 15.057 -5.937 1.00 95.15 N -16.783 15.819 -5.134 1.00 95.15 C -17.124 15.795 -3.640 1.00 95.15 C -16.223 15.668 -2.810 1.00 95.15 O -16.774 17.233 -5.708 1.00 95.15 C -15.782 18.179 -5.027 1.00 95.15 C -15.997 19.549 -5.666 1.00 95.15 C -15.350 20.672 -4.868 1.00 95.15 C -16.155 21.894 -5.096 1.00 95.15 N1+ -18.404 15.886 -3.291 1.00 96.30 N -18.859 15.885 -1.899 1.00 96.30 C -18.957 14.478 -1.296 1.00 96.30 C -18.556 14.258 -0.146 1.00 96.30 O -20.229 16.560 -1.804 1.00 96.30 C -20.192 18.070 -2.085 1.00 96.30 C -21.542 18.734 -1.765 1.00 96.30 C -21.549 19.972 -1.600 1.00 96.30 O -22.536 17.988 -1.569 1.00 96.30 O1- -19.510 13.523 -2.053 1.00 96.87 N -19.950 12.222 -1.537 1.00 96.87 C -19.048 11.065 -1.909 1.00 96.87 C -19.049 10.097 -1.161 1.00 96.87 O -21.390 11.916 -1.987 1.00 96.87 C -22.424 12.956 -1.545 1.00 96.87 C -22.550 13.031 -0.023 1.00 96.87 C -23.704 13.973 0.308 1.00 96.87 C -23.924 14.035 1.767 1.00 96.87 N1+ -18.282 11.115 -2.997 1.00 98.27 N -17.420 10.002 -3.393 1.00 98.27 C -15.979 10.225 -2.926 1.00 98.27 C -15.341 11.231 -3.229 1.00 98.27 O -17.518 9.765 -4.907 1.00 98.27 C -16.772 8.504 -5.372 1.00 98.27 C -17.418 7.212 -4.864 1.00 98.27 C -16.746 8.449 -6.894 1.00 98.27 C -15.437 9.241 -2.220 1.00 98.45 N -14.033 9.182 -1.851 1.00 98.45 C -13.349 8.018 -2.565 1.00 98.45 C -13.761 6.861 -2.440 1.00 98.45 O -13.919 9.082 -0.332 1.00 98.45 C -12.490 9.100 0.157 1.00 98.45 C -11.810 7.893 0.401 1.00 98.45 C -11.828 10.329 0.339 1.00 98.45 C -10.483 7.916 0.857 1.00 98.45 C -10.496 10.351 0.789 1.00 98.45 C -9.829 9.143 1.054 1.00 98.45 C -12.282 8.330 -3.296 1.00 98.72 N -11.459 7.365 -4.012 1.00 98.72 C -10.055 7.359 -3.417 1.00 98.72 C -9.313 8.344 -3.483 1.00 98.72 O -11.445 7.634 -5.532 1.00 98.72 C -12.882 7.827 -6.074 1.00 98.72 C -10.678 6.482 -6.214 1.00 98.72 C -13.027 7.688 -7.592 1.00 98.72 C -9.676 6.199 -2.887 1.00 98.59 N -8.288 5.857 -2.617 1.00 98.59 C -7.854 4.870 -3.694 1.00 98.59 C -8.392 3.764 -3.770 1.00 98.59 O -8.162 5.331 -1.179 1.00 98.59 C -6.708 5.107 -0.727 1.00 98.59 C -6.617 5.197 0.799 1.00 98.59 C -6.156 3.739 -1.134 1.00 98.59 C -6.888 5.255 -4.526 1.00 98.56 N -6.384 4.350 -5.553 1.00 98.56 C -5.322 3.423 -4.973 1.00 98.56 C -4.400 3.849 -4.274 1.00 98.56 O -5.897 5.104 -6.786 1.00 98.56 C -5.619 4.175 -7.936 1.00 98.56 C -4.607 4.312 -8.834 1.00 98.56 C -6.331 3.006 -8.225 1.00 98.56 N -5.721 2.460 -9.286 1.00 98.56 C -4.684 3.220 -9.664 1.00 98.56 N -5.477 2.134 -5.238 1.00 98.30 N -4.604 1.104 -4.705 1.00 98.30 C -3.401 0.902 -5.622 1.00 98.30 C -3.586 0.478 -6.760 1.00 98.30 O -5.414 -0.186 -4.573 1.00 98.30 C -4.644 -1.245 -3.808 1.00 98.30 C -4.289 -0.997 -2.623 1.00 98.30 O -4.539 -2.392 -4.292 1.00 98.30 O1- -2.181 1.141 -5.139 1.00 96.88 N -0.978 0.713 -5.845 1.00 96.88 C -0.916 -0.816 -5.903 1.00 96.88 C -1.073 -1.471 -4.864 1.00 96.88 O -0.727 -1.406 -7.094 1.00 96.66 N -0.866 -2.842 -7.272 1.00 96.66 C 0.370 -3.588 -6.729 1.00 96.66 C 1.472 -3.393 -7.244 1.00 96.66 O -1.058 -3.021 -8.779 1.00 96.66 C -0.341 -1.833 -9.416 1.00 96.66 C -0.462 -0.735 -8.364 1.00 96.66 C 0.251 -4.468 -5.712 1.00 94.47 N 1.343 -5.356 -5.320 1.00 94.47 C 1.720 -6.335 -6.440 1.00 94.47 C 0.868 -6.816 -7.187 1.00 94.47 O 0.843 -6.108 -4.079 1.00 94.47 C -0.677 -6.076 -4.243 1.00 94.47 C -0.883 -4.683 -4.828 1.00 94.47 C 2.999 -6.713 -6.494 1.00 91.89 N 3.478 -7.740 -7.422 1.00 91.89 C 2.880 -9.119 -7.121 1.00 91.89 C 3.036 -9.662 -6.019 1.00 91.89 O 5.008 -7.832 -7.388 1.00 91.89 C 5.696 -6.926 -8.381 1.00 91.89 C 6.050 -7.428 -9.650 1.00 91.89 C 5.923 -5.574 -8.060 1.00 91.89 C 6.662 -6.582 -10.590 1.00 91.89 C 6.503 -4.719 -9.012 1.00 91.89 C 6.873 -5.226 -10.273 1.00 91.89 C 7.440 -4.405 -11.178 1.00 91.89 O 2.328 -9.758 -8.150 1.00 92.96 N 1.781 -11.113 -8.108 1.00 92.96 C 2.876 -12.202 -8.143 1.00 92.96 C 2.904 -13.049 -9.035 1.00 92.96 O 0.782 -11.247 -9.262 1.00 92.96 C 3.819 -12.189 -7.192 1.00 85.93 N 4.993 -13.071 -7.257 1.00 85.93 C 5.293 -13.885 -5.981 1.00 85.93 C 6.148 -14.769 -6.022 1.00 85.93 O 6.183 -12.236 -7.787 1.00 85.93 C 6.878 -11.354 -6.765 1.00 85.93 C 7.579 -10.338 -7.197 1.00 85.93 N 6.917 -11.625 -5.578 1.00 85.93 O 4.688 -13.610 -4.824 1.00 83.44 N 5.102 -14.274 -3.582 1.00 83.44 C 4.216 -14.006 -2.376 1.00 83.44 C 3.242 -13.272 -2.460 1.00 83.44 O 4.567 -14.621 -1.250 1.00 88.06 N 3.828 -14.465 0.008 1.00 88.06 C 3.911 -13.031 0.553 1.00 88.06 C 4.939 -12.358 0.412 1.00 88.06 O 4.349 -15.465 1.055 1.00 88.06 C 4.264 -16.943 0.619 1.00 88.06 C 2.842 -17.420 0.264 1.00 88.06 C 2.727 -18.335 -0.598 1.00 88.06 O 1.890 -16.829 0.808 1.00 88.06 O1- 2.834 -12.590 1.205 1.00 91.53 N 2.761 -11.278 1.842 1.00 91.53 C 3.646 -11.213 3.095 1.00 91.53 C 3.919 -12.208 3.762 1.00 91.53 O 1.301 -10.926 2.175 1.00 91.53 C 0.336 -10.891 0.975 1.00 91.53 C -1.035 -10.474 1.487 1.00 91.53 C 0.765 -9.897 -0.106 1.00 91.53 C 4.063 -10.000 3.439 1.00 89.74 N 4.866 -9.690 4.626 1.00 89.74 C 4.242 -8.520 5.389 1.00 89.74 C 3.324 -7.875 4.878 1.00 89.74 O 6.317 -9.405 4.212 1.00 89.74 C 6.483 -8.305 3.191 1.00 89.74 C 7.061 -8.442 1.959 1.00 89.74 C 6.134 -6.977 3.326 1.00 89.74 N 6.502 -6.329 2.207 1.00 89.74 C 7.065 -7.189 1.347 1.00 89.74 N 4.760 -8.195 6.577 1.00 92.56 N 4.191 -7.145 7.428 1.00 92.56 C 4.066 -5.781 6.728 1.00 92.56 C 3.049 -5.118 6.887 1.00 92.56 O 5.017 -7.055 8.719 1.00 92.56 C 4.363 -6.189 9.813 1.00 92.56 C 2.970 -6.689 10.191 1.00 92.56 C 5.247 -6.211 11.054 1.00 92.56 C 5.019 -5.403 5.867 1.00 92.65 N 4.897 -4.192 5.038 1.00 92.65 C 3.641 -4.135 4.143 1.00 92.65 C 3.071 -3.063 3.970 1.00 92.65 O 3.153 -5.275 3.634 1.00 94.53 N 1.896 -5.325 2.875 1.00 94.53 C 0.676 -5.140 3.787 1.00 94.53 C -0.285 -4.477 3.401 1.00 94.53 O 1.769 -6.663 2.134 1.00 94.53 C 2.757 -6.875 1.019 1.00 94.53 C 2.638 -6.401 -0.261 1.00 94.53 C 3.886 -7.664 1.052 1.00 94.53 N 4.423 -7.668 -0.178 1.00 94.53 C 3.700 -6.911 -1.009 1.00 94.53 N 0.711 -5.711 4.996 1.00 96.39 N -0.344 -5.517 5.988 1.00 96.39 C -0.402 -4.057 6.453 1.00 96.39 C -1.481 -3.474 6.444 1.00 96.39 O -0.131 -6.486 7.154 1.00 96.39 C 0.752 -3.449 6.757 1.00 96.99 N 0.889 -2.018 7.039 1.00 96.99 C 0.203 -1.184 5.953 1.00 96.99 C -0.715 -0.425 6.246 1.00 96.99 O 2.390 -1.677 7.170 1.00 96.99 C 2.719 -0.173 7.229 1.00 96.99 C 2.029 0.506 8.403 1.00 96.99 C 4.228 0.028 7.353 1.00 96.99 C 0.598 -1.384 4.696 1.00 97.42 N 0.053 -0.649 3.563 1.00 97.42 C -1.477 -0.781 3.447 1.00 97.42 C -2.192 0.221 3.459 1.00 97.42 O 0.765 -1.166 2.311 1.00 97.42 C 0.268 -0.464 1.073 1.00 97.42 C 0.822 0.681 0.788 1.00 97.42 N -0.628 -0.941 0.391 1.00 97.42 O -1.997 -2.013 3.378 1.00 98.12 N -3.434 -2.250 3.172 1.00 98.12 C -4.293 -1.808 4.346 1.00 98.12 C -5.370 -1.265 4.124 1.00 98.12 O -3.698 -3.729 2.883 1.00 98.12 C -3.277 -4.172 1.483 1.00 98.12 C -4.013 -3.457 0.351 1.00 98.12 C -3.709 -4.196 -0.952 1.00 98.12 C -4.545 -3.681 -2.045 1.00 98.12 N1+ -3.838 -2.024 5.577 1.00 98.70 N -4.603 -1.649 6.769 1.00 98.70 C -4.690 -0.127 6.888 1.00 98.70 C -5.763 0.380 7.195 1.00 98.70 O -4.016 -2.327 8.024 1.00 98.70 C -4.287 -3.849 7.942 1.00 98.70 C -4.615 -1.741 9.314 1.00 98.70 C -3.495 -4.688 8.949 1.00 98.70 C -3.623 0.619 6.577 1.00 98.74 N -3.687 2.086 6.558 1.00 98.74 C -4.694 2.603 5.523 1.00 98.74 C -5.522 3.450 5.857 1.00 98.74 O -2.300 2.671 6.267 1.00 98.74 C -1.269 2.495 7.391 1.00 98.74 C 0.081 2.964 6.852 1.00 98.74 C -1.594 3.301 8.645 1.00 98.74 C -4.663 2.064 4.295 1.00 98.77 N -5.650 2.390 3.248 1.00 98.77 C -7.075 2.136 3.735 1.00 98.77 C -7.957 2.976 3.574 1.00 98.77 O -5.385 1.556 1.984 1.00 98.77 C -4.085 1.941 1.271 1.00 98.77 C -3.801 0.988 0.104 1.00 98.77 C -2.586 1.446 -0.702 1.00 98.77 C -2.084 0.383 -1.598 1.00 98.77 N1+ -7.284 0.992 4.374 1.00 98.81 N -8.587 0.589 4.883 1.00 98.81 C -9.088 1.467 6.038 1.00 98.81 C -10.257 1.840 6.050 1.00 98.81 O -8.494 -0.871 5.302 1.00 98.81 C -9.864 -1.415 5.652 1.00 98.81 C -10.753 -1.429 4.788 1.00 98.81 O -10.034 -1.888 6.792 1.00 98.81 O1- -8.216 1.855 6.975 1.00 98.81 N -8.566 2.784 8.061 1.00 98.81 C -9.048 4.121 7.480 1.00 98.81 C -10.076 4.639 7.916 1.00 98.81 O -7.373 2.974 9.030 1.00 98.81 C -7.114 1.688 9.848 1.00 98.81 C -7.647 4.127 10.013 1.00 98.81 C -5.747 1.658 10.545 1.00 98.81 C -8.348 4.659 6.473 1.00 98.70 N -8.734 5.910 5.801 1.00 98.70 C -10.104 5.760 5.133 1.00 98.70 C -10.994 6.578 5.369 1.00 98.70 O -7.651 6.344 4.786 1.00 98.70 C -6.356 6.711 5.537 1.00 98.70 C -8.126 7.542 3.939 1.00 98.70 C -5.146 6.907 4.621 1.00 98.70 C -10.293 4.696 4.351 1.00 98.52 N -11.554 4.424 3.662 1.00 98.52 C -12.726 4.287 4.640 1.00 98.52 C -13.760 4.928 4.466 1.00 98.52 O -11.383 3.142 2.831 1.00 98.52 C -10.612 3.364 1.544 1.00 98.52 C -10.113 2.310 0.947 1.00 98.52 N -10.470 4.466 1.044 1.00 98.52 O -12.569 3.493 5.703 1.00 98.06 N -13.617 3.296 6.715 1.00 98.06 C -13.923 4.571 7.489 1.00 98.06 C -15.083 4.818 7.811 1.00 98.06 O -13.195 2.196 7.686 1.00 98.06 C -13.207 0.806 7.049 1.00 98.06 C -12.665 -0.212 8.054 1.00 98.06 C -12.674 -1.568 7.491 1.00 98.06 N -13.708 -2.370 7.367 1.00 98.06 C -14.900 -2.033 7.762 1.00 98.06 N1+ -13.580 -3.554 6.855 1.00 98.06 N -12.914 5.397 7.768 1.00 97.78 N -13.148 6.699 8.380 1.00 97.78 C -14.014 7.578 7.470 1.00 97.78 C -15.050 8.060 7.923 1.00 97.78 O -11.824 7.378 8.745 1.00 97.78 C -12.032 8.801 9.221 1.00 97.78 C -11.655 9.880 8.397 1.00 97.78 C -12.684 9.043 10.447 1.00 97.78 C -11.930 11.200 8.798 1.00 97.78 C -12.971 10.361 10.846 1.00 97.78 C -12.598 11.440 10.016 1.00 97.78 C -12.912 12.710 10.366 1.00 97.78 O -13.670 7.712 6.185 1.00 97.27 N -14.470 8.487 5.225 1.00 97.27 C -15.894 7.925 5.075 1.00 97.27 C -16.850 8.701 5.069 1.00 97.27 O -13.746 8.537 3.870 1.00 97.27 C -12.414 9.301 3.923 1.00 97.27 C -12.537 10.804 4.154 1.00 97.27 C -11.493 11.435 4.642 1.00 97.27 N -13.537 11.456 3.887 1.00 97.27 O -16.054 6.594 5.071 1.00 95.91 N -17.367 5.940 5.059 1.00 95.91 C -18.206 6.363 6.269 1.00 95.91 C -19.355 6.770 6.125 1.00 95.91 O -17.190 4.410 5.005 1.00 95.91 C -18.515 3.622 4.931 1.00 95.91 C -19.316 3.920 3.664 1.00 95.91 C -18.222 2.122 4.959 1.00 95.91 C -17.607 6.352 7.462 1.00 93.64 N -18.280 6.770 8.699 1.00 93.64 C -18.610 8.271 8.761 1.00 93.64 C -19.425 8.684 9.586 1.00 93.64 O -17.445 6.349 9.909 1.00 93.64 C -16.311 7.185 10.084 1.00 93.64 O -17.999 9.095 7.898 1.00 92.44 N -18.359 10.509 7.717 1.00 92.44 C -19.505 10.704 6.705 1.00 92.44 C -19.891 11.837 6.425 1.00 92.44 O -17.129 11.356 7.329 1.00 92.44 C -15.960 11.358 8.328 1.00 92.44 C -16.377 11.627 9.769 1.00 92.44 C -16.407 10.614 10.604 1.00 92.44 N -16.664 12.740 10.177 1.00 92.44 O -20.072 9.622 6.161 1.00 92.04 N -21.186 9.669 5.214 1.00 92.04 C -20.772 9.818 3.749 1.00 92.04 C -21.601 10.226 2.936 1.00 92.04 O -19.512 9.513 3.410 1.00 95.81 N -19.069 9.372 2.017 1.00 95.81 C -19.216 7.933 1.534 1.00 95.81 C -19.109 6.989 2.308 1.00 95.81 O -17.623 9.849 1.836 1.00 95.81 C -17.484 11.351 2.106 1.00 95.81 C -16.113 11.833 1.633 1.00 95.81 C -15.954 13.320 1.943 1.00 95.81 C -14.629 13.804 1.500 1.00 95.81 N1+ -19.377 7.778 0.234 1.00 97.74 N -19.245 6.525 -0.485 1.00 97.74 C -17.783 6.277 -0.853 1.00 97.74 C -17.047 7.208 -1.177 1.00 97.74 O -20.157 6.579 -1.709 1.00 97.74 C -21.619 6.668 -1.314 1.00 97.74 C -22.216 5.543 -0.725 1.00 97.74 C -22.381 7.837 -1.527 1.00 97.74 C -23.568 5.574 -0.359 1.00 97.74 C -23.749 7.867 -1.168 1.00 97.74 C -24.340 6.728 -0.576 1.00 97.74 C -25.631 6.679 -0.161 1.00 97.74 O -17.349 5.022 -0.796 1.00 98.06 N -15.964 4.615 -1.029 1.00 98.06 C -15.864 3.848 -2.341 1.00 98.06 C -16.500 2.808 -2.507 1.00 98.06 O -15.421 3.775 0.147 1.00 98.06 C -15.602 4.458 1.519 1.00 98.06 C -13.940 3.412 -0.076 1.00 98.06 C -15.039 5.879 1.623 1.00 98.06 C -14.982 4.292 -3.230 1.00 98.26 N -14.493 3.460 -4.323 1.00 98.26 C -13.047 3.051 -4.039 1.00 98.26 C -12.130 3.870 -4.036 1.00 98.26 O -14.673 4.170 -5.663 1.00 98.26 C -14.313 3.299 -6.845 1.00 98.26 C -13.086 3.472 -7.510 1.00 98.26 C -15.206 2.302 -7.279 1.00 98.26 C -12.757 2.662 -8.609 1.00 98.26 C -14.875 1.489 -8.377 1.00 98.26 C -13.653 1.673 -9.045 1.00 98.26 C -12.853 1.762 -3.771 1.00 98.35 N -11.545 1.160 -3.509 1.00 98.35 C -11.470 -0.201 -4.196 1.00 98.35 C -12.168 -1.138 -3.793 1.00 98.35 O -11.312 1.042 -1.995 1.00 98.35 C -10.010 0.342 -1.645 1.00 98.35 C -10.020 -0.958 -1.111 1.00 98.35 C -8.784 0.977 -1.897 1.00 98.35 C -8.809 -1.642 -0.878 1.00 98.35 C -7.571 0.310 -1.656 1.00 98.35 C -7.580 -1.009 -1.163 1.00 98.35 C -6.403 -1.671 -1.002 1.00 98.35 O -10.659 -0.298 -5.253 1.00 97.27 N -10.511 -1.505 -6.074 1.00 97.27 C -9.076 -2.032 -5.950 1.00 97.27 C -8.165 -1.353 -6.415 1.00 97.27 O -10.908 -1.186 -7.527 1.00 97.27 C -11.103 -2.470 -8.349 1.00 97.27 C -11.549 -2.157 -9.786 1.00 97.27 C -11.839 -3.467 -10.529 1.00 97.27 C -12.128 -3.278 -11.970 1.00 97.27 N1+ -8.845 -3.194 -5.314 1.00 97.23 N -7.506 -3.727 -5.122 1.00 97.23 C -6.899 -4.158 -6.455 1.00 97.23 C -7.595 -4.709 -7.313 1.00 97.23 O -7.645 -4.893 -4.138 1.00 97.23 C -9.081 -5.362 -4.362 1.00 97.23 C -9.806 -4.051 -4.650 1.00 97.23 C -5.600 -3.912 -6.592 1.00 97.29 N -4.832 -4.202 -7.796 1.00 97.29 C -3.838 -5.338 -7.651 1.00 97.29 C -3.433 -5.668 -6.539 1.00 97.29 O -3.380 -5.875 -8.780 1.00 97.94 N -2.168 -6.692 -8.853 1.00 97.94 C -1.348 -6.379 -10.094 1.00 97.94 C -1.878 -6.348 -11.206 1.00 97.94 O -2.506 -8.180 -8.839 1.00 97.94 C -2.735 -8.738 -7.478 1.00 97.94 C -1.779 -9.297 -6.711 1.00 97.94 C -3.955 -8.757 -6.679 1.00 97.94 C -3.666 -9.403 -5.440 1.00 97.94 C -5.266 -8.269 -6.856 1.00 97.94 C -2.331 -9.715 -5.525 1.00 97.94 N -4.631 -9.600 -4.444 1.00 97.94 C -6.223 -8.408 -5.834 1.00 97.94 C -5.923 -9.092 -4.645 1.00 97.94 C -0.041 -6.227 -9.890 1.00 96.15 N 0.928 -6.090 -10.965 1.00 96.15 C 1.352 -7.494 -11.401 1.00 96.15 C 1.971 -8.261 -10.651 1.00 96.15 O 2.105 -5.196 -10.552 1.00 96.15 C 3.003 -4.845 -11.745 1.00 96.15 C 2.683 -5.302 -12.870 1.00 96.15 O 3.993 -4.120 -11.506 1.00 96.15 O1- 0.888 -7.859 -12.590 1.00 95.92 N 0.889 -9.211 -13.119 1.00 95.92 C 2.014 -9.462 -14.121 1.00 95.92 C 2.178 -10.612 -14.524 1.00 95.92 O -0.479 -9.489 -13.754 1.00 95.92 C -1.793 -9.311 -12.512 1.00 95.92 S 2.794 -8.448 -14.503 1.00 93.61 N 3.805 -8.551 -15.555 1.00 93.61 C 5.250 -8.477 -15.040 1.00 93.61 C 5.531 -8.304 -13.851 1.00 93.61 O 3.503 -7.517 -16.643 1.00 93.61 C 2.205 -7.776 -17.370 1.00 93.61 C 1.750 -8.963 -17.874 1.00 93.61 C 1.278 -6.822 -17.695 1.00 93.61 N 0.279 -7.412 -18.373 1.00 93.61 C 0.526 -8.728 -18.500 1.00 93.61 N 6.186 -8.677 -15.970 1.00 88.24 N 7.597 -8.389 -15.786 1.00 88.24 C 8.479 -9.515 -15.274 1.00 88.24 C 8.062 -10.627 -14.924 1.00 88.24 O 9.760 -9.154 -15.200 1.00 84.62 N 10.878 -10.034 -14.889 1.00 84.62 C 10.705 -10.855 -13.595 1.00 84.62 C 11.022 -12.046 -13.614 1.00 84.62 O 12.153 -9.162 -14.871 1.00 84.62 C 13.453 -9.942 -14.643 1.00 84.62 C 13.689 -10.915 -15.783 1.00 84.62 C 14.647 -8.996 -14.584 1.00 84.62 C 10.192 -10.302 -12.473 1.00 84.82 N 10.079 -11.066 -11.231 1.00 84.82 C 9.157 -12.285 -11.336 1.00 84.82 C 9.411 -13.302 -10.689 1.00 84.82 O 9.547 -10.075 -10.189 1.00 84.82 C 9.973 -8.713 -10.731 1.00 84.82 C 9.826 -8.908 -12.232 1.00 84.82 C 8.080 -12.179 -12.117 1.00 91.23 N 7.119 -13.267 -12.317 1.00 91.23 C 7.694 -14.274 -13.305 1.00 91.23 C 7.649 -15.474 -13.040 1.00 91.23 O 5.754 -12.698 -12.764 1.00 91.23 C 5.163 -11.889 -11.587 1.00 91.23 C 4.786 -13.818 -13.191 1.00 91.23 C 3.915 -11.086 -11.940 1.00 91.23 C 8.305 -13.794 -14.390 1.00 90.52 N 8.921 -14.652 -15.401 1.00 90.52 C 10.032 -15.531 -14.797 1.00 90.52 C 9.997 -16.751 -14.947 1.00 90.52 O 9.426 -13.779 -16.561 1.00 90.52 C 9.513 -14.597 -17.852 1.00 90.52 C 10.059 -13.769 -19.019 1.00 90.52 C 11.151 -14.121 -19.505 1.00 90.52 O 9.467 -12.736 -19.389 1.00 90.52 O1- 10.948 -14.955 -14.003 1.00 87.02 N 12.008 -15.716 -13.312 1.00 87.02 C 11.409 -16.784 -12.390 1.00 87.02 C 11.842 -17.934 -12.409 1.00 87.02 O 12.955 -14.772 -12.528 1.00 87.02 C 13.809 -13.938 -13.510 1.00 87.02 C 13.879 -15.557 -11.570 1.00 87.02 C 14.674 -12.866 -12.829 1.00 87.02 C 10.400 -16.441 -11.578 1.00 88.68 N 9.791 -17.414 -10.656 1.00 88.68 C 8.989 -18.496 -11.370 1.00 88.68 C 8.882 -19.599 -10.837 1.00 88.68 O 8.893 -16.712 -9.640 1.00 88.68 C 9.699 -15.960 -8.583 1.00 88.68 C 8.741 -15.435 -7.514 1.00 88.68 C 9.506 -14.538 -6.540 1.00 88.68 C 8.621 -14.015 -5.476 1.00 88.68 N1+ 8.422 -18.192 -12.533 1.00 90.81 N 7.721 -19.162 -13.362 1.00 90.81 C 8.687 -20.144 -14.041 1.00 90.81 C 8.331 -21.306 -14.221 1.00 90.81 O 6.877 -18.396 -14.384 1.00 90.81 C 9.898 -19.692 -14.382 1.00 89.84 N 10.916 -20.479 -15.086 1.00 89.84 C 11.976 -21.106 -14.165 1.00 89.84 C 12.821 -21.846 -14.649 1.00 89.84 O 11.576 -19.594 -16.159 1.00 89.84 C 10.631 -19.026 -17.237 1.00 89.84 C 11.431 -18.100 -18.150 1.00 89.84 C 9.981 -20.105 -18.104 1.00 89.84 C 11.935 -20.846 -12.851 1.00 87.88 N 12.982 -21.235 -11.882 1.00 87.88 C 13.360 -22.726 -11.876 1.00 87.88 C 14.460 -23.058 -11.455 1.00 87.88 O 12.555 -20.795 -10.468 1.00 87.88 C 11.404 -21.663 -9.943 1.00 87.88 C 10.983 -21.368 -8.510 1.00 87.88 C 9.931 -22.431 -8.172 1.00 87.88 C 10.214 -23.091 -6.885 1.00 87.88 N1+ 12.433 -23.602 -12.268 1.00 86.18 N 12.611 -25.058 -12.234 1.00 86.18 C 13.118 -25.606 -13.593 1.00 86.18 C 13.269 -26.815 -13.751 1.00 86.18 O 11.305 -25.739 -11.759 1.00 86.18 C 10.779 -25.289 -10.375 1.00 86.18 C 11.558 -25.107 -9.409 1.00 86.18 O 9.550 -25.072 -10.242 1.00 86.18 O1- 13.367 -24.735 -14.582 1.00 86.98 N 13.910 -25.084 -15.898 1.00 86.98 C 15.407 -24.770 -15.991 1.00 86.98 C 15.894 -23.802 -15.407 1.00 86.98 O 13.147 -24.337 -17.005 1.00 86.98 C 11.648 -24.657 -17.113 1.00 86.98 C 11.067 -23.841 -18.266 1.00 86.98 C 11.378 -26.136 -17.400 1.00 86.98 C 16.137 -25.560 -16.780 1.00 82.91 N 17.540 -25.282 -17.096 1.00 82.91 C 17.685 -24.147 -18.119 1.00 82.91 C 16.766 -23.858 -18.886 1.00 82.91 O 18.249 -26.557 -17.571 1.00 82.91 C 17.943 -26.858 -18.920 1.00 82.91 O 18.870 -23.532 -18.194 1.00 74.80 N 19.149 -22.462 -19.159 1.00 74.80 C 18.891 -22.886 -20.623 1.00 74.80 C 18.272 -22.140 -21.376 1.00 74.80 O 20.593 -21.991 -18.951 1.00 74.80 C 19.274 -24.112 -21.006 1.00 75.59 N 19.014 -24.666 -22.347 1.00 75.59 C 17.515 -24.867 -22.627 1.00 75.59 C 17.047 -24.663 -23.749 1.00 75.59 O 19.731 -26.019 -22.482 1.00 75.59 C 21.234 -25.867 -22.759 1.00 75.59 C 21.984 -27.195 -22.698 1.00 75.59 C 23.180 -27.265 -23.238 1.00 75.59 N 21.532 -28.180 -22.137 1.00 75.59 O 16.738 -25.256 -21.612 1.00 82.21 N 15.285 -25.375 -21.752 1.00 82.21 C 14.622 -24.009 -21.927 1.00 82.21 C 13.662 -23.894 -22.681 1.00 82.21 O 14.694 -26.078 -20.527 1.00 82.21 C 15.023 -27.572 -20.498 1.00 82.21 C 14.515 -28.216 -19.215 1.00 82.21 C 13.845 -29.344 -19.296 1.00 82.21 N 14.698 -27.722 -18.115 1.00 82.21 O 15.131 -22.977 -21.251 1.00 79.25 N 14.612 -21.611 -21.373 1.00 79.25 C 14.875 -21.057 -22.780 1.00 79.25 C 13.962 -20.494 -23.375 1.00 79.25 O 15.183 -20.719 -20.247 1.00 79.25 C 14.640 -21.192 -18.875 1.00 79.25 C 14.820 -19.240 -20.476 1.00 79.25 C 15.353 -20.569 -17.669 1.00 79.25 C 16.071 -21.262 -23.343 1.00 75.94 N 16.421 -20.769 -24.690 1.00 75.94 C 15.610 -21.416 -25.823 1.00 75.94 C 15.409 -20.801 -26.865 1.00 75.94 O 17.920 -20.990 -24.957 1.00 75.94 C 18.789 -19.978 -24.196 1.00 75.94 C 20.295 -20.110 -24.473 1.00 75.94 C 21.024 -19.180 -24.034 1.00 75.94 O 20.731 -21.106 -25.086 1.00 75.94 O1- 15.129 -22.645 -25.630 1.00 82.37 N 14.340 -23.378 -26.633 1.00 82.37 C 12.827 -23.180 -26.498 1.00 82.37 C 12.056 -23.661 -27.333 1.00 82.37 O 14.706 -24.865 -26.600 1.00 82.37 C 14.628 -25.403 -25.291 1.00 82.37 O 12.373 -22.494 -25.448 1.00 87.28 N 10.954 -22.316 -25.162 1.00 87.28 C 10.385 -21.144 -25.976 1.00 87.28 C 10.977 -20.072 -26.060 1.00 87.28 O 10.740 -22.248 -23.628 1.00 87.28 C 9.928 -23.470 -23.159 1.00 87.28 C 10.089 -20.953 -23.159 1.00 87.28 C 9.696 -23.526 -21.643 1.00 87.28 C 9.199 -21.330 -26.564 1.00 90.03 N 8.555 -20.261 -27.333 1.00 90.03 C 8.037 -19.129 -26.430 1.00 90.03 C 7.599 -19.403 -25.302 1.00 90.03 O 7.433 -20.804 -28.220 1.00 90.03 C 6.330 -21.299 -27.469 1.00 90.03 O 7.963 -17.877 -26.925 1.00 90.21 N 7.411 -16.744 -26.175 1.00 90.21 C 6.017 -17.028 -25.601 1.00 90.21 C 5.752 -16.781 -24.424 1.00 90.21 O 7.379 -15.583 -27.177 1.00 90.21 C 8.540 -15.895 -28.117 1.00 90.21 C 8.493 -17.417 -28.207 1.00 90.21 C 5.132 -17.652 -26.387 1.00 92.21 N 3.799 -18.063 -25.929 1.00 92.21 C 3.842 -19.023 -24.734 1.00 92.21 C 2.993 -18.945 -23.840 1.00 92.21 O 3.050 -18.752 -27.080 1.00 92.21 C 2.597 -17.821 -28.212 1.00 92.21 C 1.884 -18.662 -29.271 1.00 92.21 C 1.620 -16.760 -27.712 1.00 92.21 C 4.818 -19.937 -24.699 1.00 92.88 N 4.966 -20.878 -23.588 1.00 92.88 C 5.453 -20.169 -22.327 1.00 92.88 C 4.877 -20.429 -21.269 1.00 92.88 O 5.883 -22.039 -24.001 1.00 92.88 C 5.970 -23.148 -22.941 1.00 92.88 C 4.619 -23.822 -22.676 1.00 92.88 C 4.825 -24.977 -21.698 1.00 92.88 C 3.598 -25.797 -21.579 1.00 92.88 N1+ 6.417 -19.247 -22.447 1.00 92.85 N 6.859 -18.376 -21.340 1.00 92.85 C 5.656 -17.637 -20.758 1.00 92.85 C 5.376 -17.750 -19.564 1.00 92.85 O 7.939 -17.354 -21.785 1.00 92.85 C 9.186 -18.089 -22.293 1.00 92.85 C 8.304 -16.411 -20.625 1.00 92.85 C 10.352 -17.213 -22.761 1.00 92.85 C 4.888 -16.955 -21.617 1.00 94.36 N 3.702 -16.188 -21.217 1.00 94.36 C 2.663 -17.059 -20.517 1.00 94.36 C 2.140 -16.683 -19.475 1.00 94.36 O 3.098 -15.489 -22.447 1.00 94.36 C 4.019 -14.397 -23.022 1.00 94.36 C 3.429 -13.738 -24.274 1.00 94.36 C 2.197 -12.998 -23.951 1.00 94.36 N 2.104 -11.786 -23.432 1.00 94.36 C 3.131 -11.024 -23.209 1.00 94.36 N1+ 0.939 -11.329 -23.093 1.00 94.36 N 2.407 -18.265 -21.027 1.00 95.26 N 1.489 -19.220 -20.393 1.00 95.26 C 1.951 -19.650 -18.993 1.00 95.26 C 1.133 -19.772 -18.079 1.00 95.26 O 1.340 -20.454 -21.287 1.00 95.26 C 0.389 -21.358 -20.744 1.00 95.26 O 3.253 -19.884 -18.804 1.00 95.21 N 3.814 -20.257 -17.502 1.00 95.21 C 3.771 -19.091 -16.510 1.00 95.21 C 3.363 -19.283 -15.363 1.00 95.21 O 5.250 -20.774 -17.676 1.00 95.21 C 5.259 -22.135 -18.380 1.00 95.21 C 6.897 -22.851 -18.682 1.00 95.21 S 7.482 -23.069 -16.975 1.00 95.21 C 4.126 -17.889 -16.963 1.00 95.06 N 4.070 -16.672 -16.164 1.00 95.06 C 2.632 -16.329 -15.739 1.00 95.06 C 2.393 -16.116 -14.551 1.00 95.06 O 4.737 -15.558 -16.967 1.00 95.06 C 1.660 -16.422 -16.656 1.00 95.24 N 0.230 -16.266 -16.365 1.00 95.24 C -0.228 -17.211 -15.245 1.00 95.24 C -0.835 -16.777 -14.267 1.00 95.24 O -0.567 -16.521 -17.662 1.00 95.24 C -2.099 -16.492 -17.493 1.00 95.24 C -2.604 -15.124 -17.053 1.00 95.24 C -2.776 -16.860 -18.812 1.00 95.24 C 0.100 -18.506 -15.350 1.00 95.40 N -0.258 -19.498 -14.320 1.00 95.40 C 0.380 -19.179 -12.968 1.00 95.40 C -0.255 -19.374 -11.929 1.00 95.40 O 0.157 -20.904 -14.772 1.00 95.40 C -0.773 -21.457 -15.857 1.00 95.40 C -0.306 -22.850 -16.290 1.00 95.40 C -1.209 -23.355 -17.417 1.00 95.40 C -0.906 -24.762 -17.773 1.00 95.40 N1+ 1.626 -18.703 -12.965 1.00 94.97 N 2.308 -18.292 -11.740 1.00 94.97 C 1.624 -17.077 -11.098 1.00 94.97 C 1.300 -17.130 -9.909 1.00 94.97 O 3.791 -18.020 -12.024 1.00 94.97 C 4.578 -17.821 -10.755 1.00 94.97 C 4.724 -16.658 -10.043 1.00 94.97 C 5.241 -18.807 -10.066 1.00 94.97 N 5.766 -18.257 -8.961 1.00 94.97 C 5.483 -16.948 -8.900 1.00 94.97 N 1.347 -16.033 -11.885 1.00 95.77 N 0.670 -14.820 -11.433 1.00 95.77 C -0.716 -15.137 -10.852 1.00 95.77 C -1.003 -14.765 -9.718 1.00 95.77 O 0.584 -13.834 -12.605 1.00 95.77 C -1.540 -15.925 -11.554 1.00 95.83 N -2.867 -16.345 -11.076 1.00 95.83 C -2.804 -17.081 -9.729 1.00 95.83 C -3.607 -16.826 -8.828 1.00 95.83 O -3.516 -17.260 -12.124 1.00 95.83 C -4.010 -16.487 -13.354 1.00 95.83 C -4.578 -17.409 -14.429 1.00 95.83 C -5.479 -16.919 -15.250 1.00 95.83 N -4.237 -18.579 -14.549 1.00 95.83 O -1.824 -17.979 -9.558 1.00 95.87 N -1.614 -18.695 -8.293 1.00 95.87 C -1.196 -17.748 -7.166 1.00 95.87 C -1.670 -17.910 -6.041 1.00 95.87 O -0.585 -19.809 -8.523 1.00 95.87 C -0.356 -20.671 -7.273 1.00 95.87 C 0.640 -21.790 -7.595 1.00 95.87 C 0.916 -22.640 -6.354 1.00 95.87 C 1.856 -23.750 -6.657 1.00 95.87 N1+ -0.319 -16.787 -7.452 1.00 95.30 N 0.125 -15.795 -6.480 1.00 95.30 C -1.016 -14.850 -6.071 1.00 95.30 C -1.239 -14.682 -4.875 1.00 95.30 O 1.321 -15.039 -7.058 1.00 95.30 C -1.789 -14.327 -7.032 1.00 96.29 N -2.973 -13.486 -6.787 1.00 96.29 C -3.946 -14.206 -5.865 1.00 96.29 C -4.355 -13.645 -4.854 1.00 96.29 O -3.684 -13.120 -8.112 1.00 96.29 C -2.813 -12.169 -8.952 1.00 96.29 C -5.055 -12.457 -7.860 1.00 96.29 C -3.150 -12.215 -10.444 1.00 96.29 C -4.281 -15.470 -6.167 1.00 96.13 N -5.212 -16.253 -5.345 1.00 96.13 C -4.765 -16.304 -3.880 1.00 96.13 C -5.553 -15.969 -3.003 1.00 96.13 O -5.398 -17.651 -5.956 1.00 96.13 C -6.379 -18.476 -5.112 1.00 96.13 C -6.669 -19.857 -5.705 1.00 96.13 C -7.553 -20.588 -4.689 1.00 96.13 C -7.956 -21.941 -5.134 1.00 96.13 N1+ -3.501 -16.659 -3.628 1.00 95.58 N -2.945 -16.758 -2.266 1.00 95.58 C -2.879 -15.409 -1.559 1.00 95.58 C -3.317 -15.286 -0.422 1.00 95.58 O -1.537 -17.350 -2.323 1.00 95.58 C -1.548 -18.828 -2.707 1.00 95.58 C -0.094 -19.274 -2.810 1.00 95.58 C 0.007 -20.708 -3.115 1.00 95.58 N 1.116 -21.404 -2.987 1.00 95.58 C 2.248 -20.842 -2.658 1.00 95.58 N1+ 1.091 -22.699 -3.159 1.00 95.58 N -2.357 -14.388 -2.239 1.00 96.22 N -2.263 -13.039 -1.683 1.00 96.22 C -3.652 -12.485 -1.352 1.00 96.22 C -3.828 -11.892 -0.294 1.00 96.22 O -1.546 -12.113 -2.672 1.00 96.22 C -0.035 -12.392 -2.801 1.00 96.22 C 0.617 -11.484 -3.840 1.00 96.22 C 1.918 -11.343 -3.875 1.00 96.22 N -0.032 -10.867 -4.655 1.00 96.22 O -4.650 -12.721 -2.210 1.00 96.25 N -6.050 -12.346 -1.978 1.00 96.25 C -6.633 -13.045 -0.752 1.00 96.25 C -7.220 -12.370 0.084 1.00 96.25 O -6.857 -12.639 -3.250 1.00 96.25 C -8.325 -12.222 -3.113 1.00 96.25 C -9.085 -12.398 -4.429 1.00 96.25 C -9.221 -13.815 -4.816 1.00 96.25 N -10.179 -14.310 -5.583 1.00 96.25 C -11.107 -13.570 -6.129 1.00 96.25 N1+ -10.235 -15.594 -5.795 1.00 96.25 N -6.434 -14.357 -0.618 1.00 94.41 N -6.853 -15.123 0.568 1.00 94.41 C -6.220 -14.552 1.850 1.00 94.41 C -6.911 -14.316 2.837 1.00 94.41 O -6.476 -16.610 0.385 1.00 94.41 C -7.376 -17.353 -0.625 1.00 94.41 C -6.822 -18.715 -1.103 1.00 94.41 C -7.470 -19.336 -1.986 1.00 94.41 O -5.728 -19.138 -0.663 1.00 94.41 O1- -4.923 -14.224 1.829 1.00 95.27 N -4.261 -13.601 2.988 1.00 95.27 C -4.751 -12.171 3.247 1.00 95.27 C -4.991 -11.808 4.394 1.00 95.27 O -2.739 -13.611 2.819 1.00 95.27 C -1.999 -13.152 4.076 1.00 95.27 C -2.277 -14.912 2.558 1.00 95.27 O -4.952 -11.343 2.216 1.00 97.14 N -5.479 -9.988 2.400 1.00 97.14 C -6.917 -9.979 2.941 1.00 97.14 C -7.267 -9.079 3.707 1.00 97.14 O -5.435 -9.190 1.092 1.00 97.14 C -4.102 -8.623 0.647 1.00 97.14 C -3.339 -7.851 1.538 1.00 97.14 C -3.677 -8.751 -0.688 1.00 97.14 C -2.138 -7.252 1.121 1.00 97.14 C -2.485 -8.138 -1.116 1.00 97.14 C -1.713 -7.389 -0.211 1.00 97.14 C -7.744 -10.977 2.601 1.00 96.22 N -9.077 -11.148 3.190 1.00 96.22 C -9.003 -11.276 4.715 1.00 96.22 C -9.832 -10.690 5.412 1.00 96.22 O -9.772 -12.384 2.598 1.00 96.22 C -10.354 -12.104 1.211 1.00 96.22 C -10.899 -13.342 0.510 1.00 96.22 C -11.465 -13.180 -0.665 1.00 96.22 N -10.859 -14.459 0.995 1.00 96.22 O -7.973 -11.943 5.249 1.00 96.37 N -7.767 -12.051 6.695 1.00 96.37 C -7.512 -10.694 7.370 1.00 96.37 C -7.660 -10.602 8.582 1.00 96.37 O -6.612 -13.011 7.025 1.00 96.37 C -6.771 -14.447 6.593 1.00 96.37 C -7.857 -15.039 5.997 1.00 96.37 C -5.837 -15.438 6.808 1.00 96.37 N -6.350 -16.589 6.348 1.00 96.37 C -7.592 -16.407 5.873 1.00 96.37 N -7.165 -9.630 6.635 1.00 97.75 N -6.939 -8.294 7.211 1.00 97.75 C -8.232 -7.477 7.359 1.00 97.75 C -8.184 -6.343 7.842 1.00 97.75 O -5.886 -7.522 6.400 1.00 97.75 C -4.550 -8.199 6.149 1.00 97.75 C -4.153 -9.361 6.841 1.00 97.75 C -3.690 -7.647 5.183 1.00 97.75 C -2.957 -10.010 6.507 1.00 97.75 C -2.476 -8.282 4.866 1.00 97.75 C -2.124 -9.478 5.510 1.00 97.75 C -9.381 -8.036 6.956 1.00 97.88 N -10.691 -7.385 6.999 1.00 97.88 C -10.752 -6.062 6.207 1.00 97.88 C -11.277 -5.060 6.690 1.00 97.88 O -11.157 -7.264 8.458 1.00 97.88 C -10.188 -6.038 4.996 1.00 98.30 N -10.206 -4.849 4.127 1.00 98.30 C -11.593 -4.669 3.492 1.00 98.30 C -12.146 -5.613 2.924 1.00 98.30 O -9.108 -4.921 3.046 1.00 98.30 C -7.715 -5.308 3.596 1.00 98.30 C -9.025 -3.624 2.229 1.00 98.30 C -7.152 -4.369 4.672 1.00 98.30 C -12.136 -3.453 3.572 1.00 97.85 N -13.398 -3.002 2.989 1.00 97.85 C -13.277 -2.916 1.459 1.00 97.85 C -12.927 -1.875 0.904 1.00 97.85 O -13.735 -1.630 3.614 1.00 97.85 C -15.080 -1.039 3.161 1.00 97.85 C -16.255 -1.721 3.856 1.00 97.85 C -15.148 0.456 3.458 1.00 97.85 C -13.540 -4.024 0.769 1.00 97.74 N -13.503 -4.084 -0.698 1.00 97.74 C -14.290 -5.269 -1.256 1.00 97.74 C -14.692 -6.160 -0.505 1.00 97.74 O -12.048 -4.137 -1.178 1.00 97.74 C -11.349 -5.480 -0.962 1.00 97.74 C -12.026 -3.821 -2.547 1.00 97.74 O -14.465 -5.308 -2.579 1.00 95.74 N -14.917 -6.494 -3.297 1.00 95.74 C -13.741 -7.299 -3.864 1.00 95.74 C -13.127 -6.943 -4.870 1.00 95.74 O -15.941 -6.150 -4.386 1.00 95.74 C -16.621 -7.417 -4.921 1.00 95.74 C -16.425 -8.512 -4.329 1.00 95.74 O -17.497 -7.310 -5.797 1.00 95.74 O1- -13.453 -8.431 -3.225 1.00 94.97 N -12.390 -9.349 -3.636 1.00 94.97 C -12.696 -10.137 -4.917 1.00 94.97 C -11.794 -10.791 -5.449 1.00 94.97 O -12.106 -10.299 -2.472 1.00 94.97 C -11.562 -9.631 -1.252 1.00 94.97 C -12.208 -9.477 -0.073 1.00 94.97 C -10.276 -8.957 -1.099 1.00 94.97 C -10.169 -8.506 0.248 1.00 94.97 C -9.200 -8.665 -1.967 1.00 94.97 C -11.384 -8.816 0.819 1.00 94.97 N -9.027 -7.854 0.724 1.00 94.97 C -8.086 -7.932 -1.518 1.00 94.97 C -8.010 -7.512 -0.181 1.00 94.97 C -13.937 -10.097 -5.410 1.00 95.19 N -14.321 -10.772 -6.655 1.00 95.19 C -14.036 -9.937 -7.903 1.00 95.19 C -13.891 -10.493 -8.988 1.00 95.19 O -15.802 -11.182 -6.618 1.00 95.19 C -16.152 -12.146 -5.474 1.00 95.19 C -15.196 -13.348 -5.359 1.00 95.19 C -14.873 -13.706 -4.206 1.00 95.19 O -14.734 -13.877 -6.397 1.00 95.19 O1- -13.897 -8.618 -7.759 1.00 94.66 N -13.651 -7.705 -8.882 1.00 94.66 C -12.390 -6.862 -8.667 1.00 94.66 C -12.475 -5.630 -8.659 1.00 94.66 O -14.886 -6.833 -9.160 1.00 94.66 C -16.137 -7.654 -9.472 1.00 94.66 C -15.165 -6.018 -8.047 1.00 94.66 O -11.206 -7.471 -8.463 1.00 96.81 N -9.958 -6.718 -8.455 1.00 96.81 C -9.646 -6.165 -9.852 1.00 96.81 C -10.331 -6.487 -10.823 1.00 96.81 O -8.925 -7.729 -7.976 1.00 96.81 C -9.407 -9.041 -8.586 1.00 96.81 C -10.924 -8.906 -8.462 1.00 96.81 C -8.635 -5.307 -9.968 1.00 97.96 N -8.048 -4.989 -11.271 1.00 97.96 C -6.708 -5.711 -11.417 1.00 97.96 C -5.904 -5.739 -10.484 1.00 97.96 O -7.959 -3.471 -11.481 1.00 97.96 C -6.816 -2.775 -10.771 1.00 97.96 C -7.007 -2.144 -9.524 1.00 97.96 C -5.554 -2.736 -11.395 1.00 97.96 C -5.940 -1.453 -8.914 1.00 97.96 C -4.484 -2.072 -10.778 1.00 97.96 C -4.679 -1.421 -9.547 1.00 97.96 C -3.615 -0.799 -8.992 1.00 97.96 O -6.465 -6.312 -12.577 1.00 98.02 N -5.224 -7.020 -12.872 1.00 98.02 C -4.569 -6.344 -14.075 1.00 98.02 C -5.248 -6.057 -15.057 1.00 98.02 O -5.534 -8.511 -13.125 1.00 98.02 C -6.444 -9.182 -12.073 1.00 98.02 C -6.786 -10.614 -12.476 1.00 98.02 C -5.773 -9.244 -10.698 1.00 98.02 C -3.254 -6.111 -14.043 1.00 97.33 N -2.575 -5.491 -15.202 1.00 97.33 C -2.605 -6.369 -16.460 1.00 97.33 C -2.417 -5.864 -17.559 1.00 97.33 O -1.133 -5.063 -14.897 1.00 97.33 C -1.041 -4.043 -13.763 1.00 97.33 C -0.333 -6.151 -14.509 1.00 97.33 O -2.898 -7.666 -16.303 1.00 95.62 N -3.120 -8.632 -17.390 1.00 95.62 C -4.587 -8.734 -17.848 1.00 95.62 C -4.915 -9.583 -18.678 1.00 95.62 O -2.575 -10.006 -16.963 1.00 95.62 C -3.390 -10.633 -15.821 1.00 95.62 C -2.761 -12.231 -15.234 1.00 95.62 S -3.962 -12.524 -13.917 1.00 95.62 C -5.502 -7.946 -17.270 1.00 96.03 N -6.875 -7.887 -17.765 1.00 96.03 C -6.895 -7.169 -19.114 1.00 96.03 C -6.312 -6.100 -19.280 1.00 96.03 O -7.835 -7.185 -16.789 1.00 96.03 C -8.171 -8.000 -15.536 1.00 96.03 C -8.142 -9.251 -15.616 1.00 96.03 O -8.488 -7.363 -14.503 1.00 96.03 O1- -7.639 -7.723 -20.071 1.00 95.80 N -7.702 -7.217 -21.448 1.00 95.80 C -7.989 -5.714 -21.532 1.00 95.80 C -7.331 -5.008 -22.288 1.00 95.80 O -8.770 -8.029 -22.182 1.00 95.80 C -8.905 -7.631 -23.653 1.00 95.80 C -10.007 -8.481 -24.281 1.00 95.80 C -10.172 -8.064 -25.733 1.00 95.80 C -11.221 -8.862 -26.408 1.00 95.80 N1+ -8.962 -5.218 -20.770 1.00 95.10 N -9.310 -3.791 -20.787 1.00 95.10 C -8.167 -2.917 -20.251 1.00 95.10 C -7.920 -1.838 -20.788 1.00 95.10 O -10.593 -3.549 -19.977 1.00 95.10 C -11.868 -4.058 -20.659 1.00 95.10 C -11.855 -4.275 -21.893 1.00 95.10 O -12.883 -4.173 -19.940 1.00 95.10 O1- -7.431 -3.406 -19.247 1.00 97.74 N -6.252 -2.728 -18.713 1.00 97.74 C -5.154 -2.630 -19.774 1.00 97.74 C -4.628 -1.547 -20.028 1.00 97.74 O -5.740 -3.477 -17.474 1.00 97.74 C -4.722 -2.687 -16.686 1.00 97.74 C -3.390 -2.576 -17.138 1.00 97.74 C -5.125 -2.050 -15.500 1.00 97.74 C -2.464 -1.800 -16.417 1.00 97.74 C -4.197 -1.304 -14.760 1.00 97.74 C -2.876 -1.168 -15.225 1.00 97.74 C -2.015 -0.457 -14.464 1.00 97.74 O -4.852 -3.748 -20.438 1.00 97.58 N -3.816 -3.808 -21.468 1.00 97.58 C -4.116 -2.852 -22.631 1.00 97.58 C -3.238 -2.119 -23.089 1.00 97.58 O -3.682 -5.246 -22.003 1.00 97.58 C -3.217 -6.279 -20.960 1.00 97.58 C -3.148 -7.708 -21.527 1.00 97.58 C -2.262 -8.471 -21.079 1.00 97.58 O -3.945 -8.046 -22.441 1.00 97.58 O1- -5.375 -2.805 -23.079 1.00 97.78 N -5.812 -1.887 -24.137 1.00 97.78 C -5.707 -0.426 -23.690 1.00 97.78 C -5.230 0.413 -24.456 1.00 97.78 O -7.238 -2.252 -24.603 1.00 97.78 C -7.295 -3.639 -25.284 1.00 97.78 C -7.822 -1.189 -25.553 1.00 97.78 C -6.425 -3.808 -26.533 1.00 97.78 C -6.104 -0.101 -22.459 1.00 97.70 N -5.968 1.255 -21.928 1.00 97.70 C -4.501 1.700 -21.875 1.00 97.70 C -4.184 2.821 -22.274 1.00 97.70 O -6.604 1.322 -20.536 1.00 97.70 C -8.120 1.300 -20.546 1.00 97.70 C -8.683 1.141 -19.374 1.00 97.70 N -8.785 1.477 -21.560 1.00 97.70 O -3.597 0.819 -21.445 1.00 98.19 N -2.168 1.110 -21.420 1.00 98.19 C -1.598 1.338 -22.826 1.00 98.19 C -0.826 2.276 -23.032 1.00 98.19 O -1.452 -0.034 -20.708 1.00 98.19 C 0.040 0.284 -20.561 1.00 98.19 C 0.775 -0.803 -19.807 1.00 98.19 C 2.047 -0.982 -20.082 1.00 98.19 N 0.211 -1.502 -18.982 1.00 98.19 O -1.996 0.525 -23.809 1.00 98.12 N -1.586 0.714 -25.202 1.00 98.12 C -2.106 2.037 -25.786 1.00 98.12 C -1.388 2.700 -26.534 1.00 98.12 O -2.076 -0.470 -26.043 1.00 98.12 C -1.341 -1.798 -25.793 1.00 98.12 C -2.068 -2.930 -26.523 1.00 98.12 C 0.099 -1.727 -26.299 1.00 98.12 C -3.316 2.461 -25.412 1.00 97.90 N -3.838 3.773 -25.796 1.00 97.90 C -3.027 4.916 -25.167 1.00 97.90 C -2.686 5.861 -25.869 1.00 97.90 O -5.327 3.866 -25.439 1.00 97.90 C -6.201 3.055 -26.377 1.00 97.90 C -7.219 2.404 -25.868 1.00 97.90 N -6.008 3.012 -27.581 1.00 97.90 O -2.629 4.802 -23.895 1.00 97.79 N -1.739 5.778 -23.237 1.00 97.79 C -0.384 5.847 -23.956 1.00 97.79 C 0.137 6.936 -24.201 1.00 97.79 O -1.581 5.419 -21.739 1.00 97.79 C -2.910 5.685 -20.997 1.00 97.79 C -0.445 6.202 -21.051 1.00 97.79 C -3.005 4.987 -19.636 1.00 97.79 C 0.181 4.699 -24.341 1.00 97.68 N 1.404 4.648 -25.145 1.00 97.68 C 1.226 5.358 -26.497 1.00 97.68 C 2.072 6.167 -26.880 1.00 97.68 O 1.836 3.186 -25.324 1.00 97.68 C 3.010 3.017 -26.266 1.00 97.68 C 2.789 2.777 -27.637 1.00 97.68 C 4.324 3.136 -25.780 1.00 97.68 C 3.879 2.665 -28.519 1.00 97.68 C 5.412 3.012 -26.662 1.00 97.68 C 5.190 2.784 -28.031 1.00 97.68 C 0.110 5.109 -27.196 1.00 97.38 N -0.230 5.783 -28.457 1.00 97.38 C -0.356 7.300 -28.278 1.00 97.38 C 0.224 8.033 -29.070 1.00 97.38 O -1.504 5.151 -29.045 1.00 97.38 C -1.967 5.855 -30.329 1.00 97.38 C -3.299 5.287 -30.838 1.00 97.38 C -3.891 6.207 -31.913 1.00 97.38 C -4.384 7.490 -31.348 1.00 97.38 N1+ -1.047 7.765 -27.237 1.00 96.82 N -1.196 9.195 -26.919 1.00 96.82 C 0.171 9.859 -26.670 1.00 96.82 C 0.454 10.939 -27.190 1.00 96.82 O -2.095 9.358 -25.675 1.00 96.82 C -3.588 9.072 -25.935 1.00 96.82 C -4.442 8.977 -24.649 1.00 96.82 C -5.662 8.705 -24.762 1.00 96.82 O -3.906 9.175 -23.535 1.00 96.82 O1- 1.068 9.196 -25.932 1.00 96.84 N 2.439 9.683 -25.727 1.00 96.84 C 3.253 9.702 -27.029 1.00 96.84 C 4.036 10.628 -27.255 1.00 96.84 O 3.151 8.820 -24.676 1.00 96.84 C 2.598 9.052 -23.266 1.00 96.84 C 3.343 8.026 -21.965 1.00 96.84 S 5.064 8.600 -21.999 1.00 96.84 C 3.077 8.703 -27.897 1.00 95.67 N 3.736 8.658 -29.202 1.00 95.67 C 3.251 9.778 -30.131 1.00 95.67 C 4.074 10.451 -30.746 1.00 95.67 O 3.538 7.281 -29.845 1.00 95.67 C 4.090 7.229 -31.254 1.00 95.67 C 3.243 7.491 -32.346 1.00 95.67 C 5.466 7.032 -31.470 1.00 95.67 C 3.769 7.526 -33.647 1.00 95.67 C 5.995 7.044 -32.772 1.00 95.67 C 5.140 7.282 -33.864 1.00 95.67 C 5.629 7.302 -35.127 1.00 95.67 O 1.942 10.033 -30.188 1.00 95.12 N 1.335 11.115 -30.982 1.00 95.12 C 1.863 12.499 -30.597 1.00 95.12 C 1.924 13.403 -31.428 1.00 95.12 O -0.195 11.063 -30.811 1.00 95.12 C -0.764 9.994 -31.744 1.00 95.12 C -2.256 9.692 -31.580 1.00 95.12 C -2.870 9.282 -32.592 1.00 95.12 O -2.804 9.672 -30.459 1.00 95.12 O1- 2.311 12.649 -29.350 1.00 93.46 N 2.967 13.856 -28.845 1.00 93.46 C 4.466 13.945 -29.152 1.00 93.46 C 5.105 14.903 -28.730 1.00 93.46 O 2.712 13.937 -27.343 1.00 93.46 C 1.245 14.252 -27.007 1.00 93.46 C 1.086 14.383 -25.491 1.00 93.46 C 1.996 15.432 -24.986 1.00 93.46 N 2.240 15.773 -23.742 1.00 93.46 C 1.637 15.207 -22.751 1.00 93.46 N1+ 3.091 16.715 -23.480 1.00 93.46 N 5.049 12.954 -29.825 1.00 94.03 N 6.483 12.899 -30.118 1.00 94.03 C 7.364 12.561 -28.911 1.00 94.03 C 8.581 12.743 -28.975 1.00 94.03 O 6.777 12.064 -27.815 1.00 95.30 N 7.517 11.739 -26.592 1.00 95.30 C 8.183 10.364 -26.658 1.00 95.30 C 9.118 10.107 -25.915 1.00 95.30 O 6.589 11.817 -25.367 1.00 95.30 C 5.895 13.173 -25.163 1.00 95.30 C 4.979 13.080 -23.944 1.00 95.30 C 6.888 14.312 -24.933 1.00 95.30 C 7.719 9.462 -27.520 1.00 95.30 N 8.274 8.111 -27.631 1.00 95.30 C 9.281 8.065 -28.780 1.00 95.30 C 8.917 8.264 -29.938 1.00 95.30 O 7.145 7.080 -27.788 1.00 95.30 C 6.101 7.123 -26.651 1.00 95.30 C 7.724 5.667 -27.959 1.00 95.30 C 6.657 6.892 -25.245 1.00 95.30 C 10.547 7.777 -28.466 1.00 92.11 N 11.656 7.751 -29.432 1.00 92.11 C 12.458 6.461 -29.294 1.00 92.11 C 12.678 5.982 -28.184 1.00 92.11 O 12.552 8.988 -29.232 1.00 92.11 C 11.820 10.316 -29.512 1.00 92.11 C 12.692 11.531 -29.159 1.00 92.11 C 11.893 12.830 -29.340 1.00 92.11 C 12.548 13.992 -28.683 1.00 92.11 N1+ 12.938 5.920 -30.416 1.00 90.90 N 13.934 4.841 -30.418 1.00 90.90 C 15.323 5.461 -30.517 1.00 90.90 C 15.562 6.265 -31.411 1.00 90.90 O 13.639 3.828 -31.535 1.00 90.90 C 14.424 2.516 -31.349 1.00 90.90 C 14.038 1.512 -32.443 1.00 90.90 C 14.658 0.184 -32.247 1.00 90.90 N 15.004 -0.696 -33.181 1.00 90.90 C 14.953 -0.480 -34.464 1.00 90.90 N1+ 15.409 -1.883 -32.844 1.00 90.90 N 16.215 5.119 -29.595 1.00 88.07 N 17.575 5.658 -29.552 1.00 88.07 C 18.579 4.542 -29.268 1.00 88.07 C 18.300 3.647 -28.471 1.00 88.07 O 17.700 6.756 -28.484 1.00 88.07 C 16.750 7.953 -28.677 1.00 88.07 C 16.967 9.022 -27.609 1.00 88.07 C 15.966 9.816 -27.307 1.00 88.07 N 18.033 9.139 -27.025 1.00 88.07 O 19.754 4.607 -29.897 1.00 87.76 N 20.884 3.753 -29.544 1.00 87.76 C 21.708 4.440 -28.451 1.00 87.76 C 22.549 5.289 -28.741 1.00 87.76 O 21.717 3.422 -30.792 1.00 87.76 C 22.817 2.430 -30.452 1.00 87.76 C 23.924 2.458 -31.155 1.00 87.76 N 22.686 1.620 -29.547 1.00 87.76 O 21.416 4.110 -27.192 1.00 88.42 N 21.934 4.826 -26.022 1.00 88.42 C 22.430 3.848 -24.958 1.00 88.42 C 21.828 2.780 -24.818 1.00 88.42 O 20.817 5.731 -25.486 1.00 88.42 C 21.292 6.597 -24.318 1.00 88.42 C 20.173 7.502 -23.816 1.00 88.42 C 20.772 8.344 -22.701 1.00 88.42 C 19.760 9.217 -22.082 1.00 88.42 N1+ 23.482 4.184 -24.187 1.00 91.62 N 23.901 3.382 -23.049 1.00 91.62 C 22.793 3.204 -22.016 1.00 91.62 C 22.222 4.169 -21.511 1.00 91.62 O 25.128 4.071 -22.465 1.00 91.62 C 25.700 4.792 -23.664 1.00 91.62 C 24.451 5.247 -24.410 1.00 91.62 C 22.512 1.949 -21.686 1.00 91.35 N 21.572 1.558 -20.634 1.00 91.35 C 22.228 0.544 -19.711 1.00 91.35 C 23.143 -0.180 -20.115 1.00 91.35 O 20.251 1.003 -21.207 1.00 91.35 C 19.508 2.063 -22.026 1.00 91.35 C 20.451 -0.241 -22.076 1.00 91.35 C 21.738 0.467 -18.476 1.00 92.84 N 22.076 -0.643 -17.596 1.00 92.84 C 21.538 -1.940 -18.190 1.00 92.84 C 20.358 -2.036 -18.526 1.00 92.84 O 21.508 -0.414 -16.197 1.00 92.84 C 22.139 0.762 -15.490 1.00 92.84 C 23.467 0.661 -15.035 1.00 92.84 C 21.407 1.949 -15.288 1.00 92.84 C 24.061 1.737 -14.351 1.00 92.84 C 21.993 3.020 -14.585 1.00 92.84 C 23.319 2.912 -14.114 1.00 92.84 C 23.884 3.948 -13.444 1.00 92.84 O 22.407 -2.934 -18.311 1.00 94.12 N 22.104 -4.219 -18.912 1.00 94.12 C 22.478 -5.347 -17.959 1.00 94.12 C 23.650 -5.529 -17.612 1.00 94.12 O 22.843 -4.342 -20.245 1.00 94.12 C 22.432 -5.549 -21.021 1.00 94.12 C 22.933 -6.798 -20.886 1.00 94.12 C 21.360 -5.645 -21.999 1.00 94.12 C 21.242 -7.010 -22.399 1.00 94.12 C 20.476 -4.714 -22.582 1.00 94.12 C 22.225 -7.672 -21.691 1.00 94.12 N 20.315 -7.425 -23.363 1.00 94.12 C 19.526 -5.126 -23.534 1.00 94.12 C 19.447 -6.474 -23.925 1.00 94.12 C 21.481 -6.133 -17.556 1.00 93.41 N 21.719 -7.371 -16.824 1.00 93.41 C 22.211 -8.445 -17.789 1.00 93.41 C 21.459 -8.887 -18.651 1.00 93.41 O 23.467 -8.876 -17.673 1.00 92.51 N 24.053 -9.900 -18.563 1.00 92.51 C 23.428 -11.277 -18.338 1.00 92.51 C 23.137 -11.991 -19.295 1.00 92.51 O 25.573 -9.984 -18.367 1.00 92.51 C 26.260 -8.685 -18.796 1.00 92.51 C 25.858 -10.176 -16.999 1.00 92.51 O 23.131 -11.610 -17.080 1.00 89.21 N 22.446 -12.851 -16.699 1.00 89.21 C 20.971 -12.852 -17.108 1.00 89.21 C 20.431 -13.856 -17.569 1.00 89.21 O 22.516 -13.020 -15.175 1.00 89.21 C 23.938 -13.152 -14.628 1.00 89.21 C 24.728 -14.308 -15.252 1.00 89.21 C 25.957 -14.142 -15.397 1.00 89.21 O 24.102 -15.351 -15.541 1.00 89.21 O1- 20.300 -11.710 -16.941 1.00 85.14 N 18.867 -11.553 -17.229 1.00 85.14 C 18.588 -11.134 -18.673 1.00 85.14 C 17.433 -11.190 -19.100 1.00 85.14 O 18.212 -10.594 -16.223 1.00 85.14 C 18.150 -11.236 -14.837 1.00 85.14 C 18.958 -9.407 -16.119 1.00 85.14 O 19.632 -10.780 -19.433 1.00 90.21 N 19.630 -10.434 -20.864 1.00 90.21 C 18.619 -9.343 -21.225 1.00 90.21 C 17.944 -9.434 -22.245 1.00 90.21 O 19.476 -11.700 -21.721 1.00 90.21 C 20.528 -12.780 -21.427 1.00 90.21 C 20.174 -14.037 -22.224 1.00 90.21 C 21.097 -15.147 -21.937 1.00 90.21 N 21.130 -16.298 -22.586 1.00 90.21 C 20.443 -16.531 -23.663 1.00 90.21 N1+ 21.864 -17.290 -22.190 1.00 90.21 N 18.496 -8.321 -20.382 1.00 89.20 N 17.550 -7.218 -20.592 1.00 89.20 C 18.114 -5.901 -20.081 1.00 89.20 C 18.903 -5.873 -19.130 1.00 89.20 O 16.184 -7.532 -19.947 1.00 89.20 C 16.223 -7.701 -18.426 1.00 89.20 C 15.231 -6.523 -20.217 1.00 89.20 O 17.655 -4.804 -20.682 1.00 89.94 N 17.802 -3.481 -20.097 1.00 89.94 C 17.102 -3.418 -18.726 1.00 89.94 C 16.060 -4.052 -18.526 1.00 89.94 O 17.254 -2.437 -21.076 1.00 89.94 C 17.680 -2.654 -17.801 1.00 85.58 N 17.178 -2.422 -16.448 1.00 85.58 C 16.959 -0.922 -16.231 1.00 85.58 C 17.791 -0.098 -16.618 1.00 85.58 O 18.179 -2.984 -15.418 1.00 85.58 C 18.391 -4.508 -15.481 1.00 85.58 C 19.544 -4.899 -14.560 1.00 85.58 C 17.150 -5.292 -15.052 1.00 85.58 C 15.855 -0.558 -15.582 1.00 76.15 N 15.687 0.793 -15.063 1.00 76.15 C 16.554 1.005 -13.817 1.00 76.15 C 16.861 0.077 -13.077 1.00 76.15 O 14.208 1.083 -14.773 1.00 76.15 C 16.865 2.263 -13.518 1.00 72.44 N 17.611 2.651 -12.315 1.00 72.44 C 16.921 2.188 -11.013 1.00 72.44 C 17.573 1.804 -10.045 1.00 72.44 O 17.749 4.174 -12.374 1.00 72.44 C 18.803 4.743 -11.421 1.00 72.44 C 18.971 6.262 -11.602 1.00 72.44 C 19.828 6.829 -10.893 1.00 72.44 O 18.200 6.860 -12.393 1.00 72.44 O1- 15.582 2.133 -11.005 1.00 66.14 N 14.799 1.577 -9.895 1.00 66.14 C 14.962 0.063 -9.687 1.00 66.14 C 14.593 -0.436 -8.625 1.00 66.14 O 15.518 -0.649 -10.670 1.00 77.16 N 15.782 -2.096 -10.671 1.00 77.16 C 17.245 -2.428 -10.306 1.00 77.16 C 17.667 -3.582 -10.398 1.00 77.16 O 15.387 -2.703 -12.036 1.00 77.16 C 13.921 -2.445 -12.423 1.00 77.16 C 13.569 -3.079 -13.778 1.00 77.16 C 12.946 -4.163 -13.759 1.00 77.16 O 13.899 -2.474 -14.831 1.00 77.16 O1- 18.028 -1.431 -9.880 1.00 83.92 N 19.411 -1.611 -9.441 1.00 83.92 C 19.522 -1.666 -7.914 1.00 83.92 C 18.842 -0.942 -7.179 1.00 83.92 O 20.304 -0.501 -10.014 1.00 83.92 C 20.269 -0.375 -11.544 1.00 83.92 C 21.158 0.795 -11.941 1.00 83.92 C 20.754 -1.636 -12.266 1.00 83.92 C 20.446 -2.495 -7.442 1.00 84.10 N 20.967 -2.471 -6.076 1.00 84.10 C 22.469 -2.200 -6.117 1.00 84.10 C 23.174 -2.750 -6.955 1.00 84.10 O 20.676 -3.793 -5.356 1.00 84.10 C 19.209 -3.918 -4.915 1.00 84.10 C 18.926 -5.252 -4.206 1.00 84.10 C 17.743 -5.593 -3.966 1.00 84.10 O 19.869 -6.030 -3.938 1.00 84.10 O1- 22.972 -1.361 -5.217 1.00 88.55 N 24.392 -1.021 -5.172 1.00 88.55 C 25.107 -1.888 -4.137 1.00 88.55 C 24.658 -2.002 -2.994 1.00 88.55 O 24.564 0.480 -4.928 1.00 88.55 C 24.226 1.320 -6.148 1.00 88.55 C 25.260 1.810 -6.971 1.00 88.55 C 22.882 1.586 -6.476 1.00 88.55 C 24.953 2.573 -8.115 1.00 88.55 C 22.570 2.337 -7.625 1.00 88.55 C 23.604 2.838 -8.441 1.00 88.55 C 23.281 3.574 -9.535 1.00 88.55 O 26.205 -2.521 -4.550 1.00 91.00 N 27.094 -3.259 -3.662 1.00 91.00 C 28.330 -2.410 -3.359 1.00 91.00 C 29.191 -2.266 -4.223 1.00 91.00 O 27.468 -4.603 -4.307 1.00 91.00 C 28.431 -5.421 -3.458 1.00 91.00 C 28.898 -6.532 -3.974 1.00 91.00 N 28.780 -5.102 -2.332 1.00 91.00 O 28.431 -1.922 -2.123 1.00 90.50 N 29.541 -1.092 -1.627 1.00 90.50 C 30.907 -1.807 -1.622 1.00 90.50 C 31.947 -1.157 -1.593 1.00 90.50 O 29.198 -0.622 -0.200 1.00 90.50 C 27.917 0.230 -0.107 1.00 90.50 C 27.973 1.482 -0.997 1.00 90.50 C 26.958 1.787 -1.662 1.00 90.50 O 29.051 2.103 -1.074 1.00 90.50 O1- 30.917 -3.145 -1.664 1.00 93.06 N 32.123 -3.972 -1.565 1.00 93.06 C 32.478 -4.667 -2.892 1.00 93.06 C 33.092 -5.738 -2.889 1.00 93.06 O 31.954 -4.972 -0.409 1.00 93.06 C 31.740 -4.296 0.928 1.00 93.06 C 30.667 -4.609 1.615 1.00 93.06 N 32.534 -3.502 1.393 1.00 93.06 O 32.050 -4.124 -4.035 1.00 94.06 N 32.390 -4.710 -5.328 1.00 94.06 C 33.877 -4.506 -5.642 1.00 94.06 C 34.404 -3.404 -5.508 1.00 94.06 O 31.500 -4.133 -6.427 1.00 94.06 C 31.806 -4.716 -7.784 1.00 94.06 C 32.646 -4.187 -8.723 1.00 94.06 C 31.335 -5.897 -8.297 1.00 94.06 N 31.867 -6.077 -9.515 1.00 94.06 C 32.687 -5.062 -9.815 1.00 94.06 N 34.544 -5.572 -6.094 1.00 93.92 N 35.965 -5.566 -6.454 1.00 93.92 C 36.131 -5.536 -7.969 1.00 93.92 C 35.706 -6.465 -8.652 1.00 93.92 O 36.666 -6.795 -5.862 1.00 93.92 C 36.691 -6.783 -4.329 1.00 93.92 C 37.450 -8.017 -3.840 1.00 93.92 C 37.727 -7.922 -2.339 1.00 93.92 C 39.066 -8.479 -2.052 1.00 93.92 N1+ 36.790 -4.502 -8.476 1.00 93.70 N 37.174 -4.362 -9.883 1.00 93.70 C 38.700 -4.341 -10.026 1.00 93.70 C 39.415 -4.028 -9.076 1.00 93.70 O 36.556 -3.094 -10.487 1.00 93.70 C 35.150 -3.047 -10.303 1.00 93.70 O 39.215 -4.647 -11.219 1.00 94.61 N 40.637 -4.461 -11.538 1.00 94.61 C 40.780 -3.116 -12.245 1.00 94.61 C 40.348 -2.967 -13.386 1.00 94.61 O 41.210 -5.626 -12.375 1.00 94.61 C 40.974 -6.987 -11.678 1.00 94.61 C 42.716 -5.381 -12.586 1.00 94.61 C 41.452 -8.203 -12.484 1.00 94.61 C 41.378 -2.138 -11.570 1.00 94.29 N 41.625 -0.819 -12.130 1.00 94.29 C 43.031 -0.720 -12.731 1.00 94.29 C 43.986 -1.321 -12.231 1.00 94.29 O 41.353 0.242 -11.063 1.00 94.29 C 43.177 0.063 -13.797 1.00 95.45 N 44.423 0.172 -14.543 1.00 95.45 C 44.719 1.598 -14.998 1.00 95.45 C 43.822 2.360 -15.357 1.00 95.45 O 44.375 -0.798 -15.722 1.00 95.45 C 46.009 1.918 -15.005 1.00 95.86 N 46.578 3.116 -15.600 1.00 95.86 C 47.183 2.739 -16.949 1.00 95.86 C 48.069 1.882 -17.010 1.00 95.86 O 47.640 3.708 -14.675 1.00 95.86 C 47.107 4.278 -13.380 1.00 95.86 C 46.915 5.666 -13.252 1.00 95.86 C 46.812 3.422 -12.303 1.00 95.86 C 46.446 6.206 -12.040 1.00 95.86 C 46.348 3.959 -11.088 1.00 95.86 C 46.168 5.350 -10.955 1.00 95.86 C 45.740 5.853 -9.773 1.00 95.86 O 46.699 3.359 -18.022 1.00 97.39 N 47.018 2.953 -19.398 1.00 97.39 C 47.547 4.139 -20.190 1.00 97.39 C 46.969 5.224 -20.166 1.00 97.39 O 45.808 2.302 -20.095 1.00 97.39 C 46.206 1.731 -21.460 1.00 97.39 C 45.223 1.160 -19.249 1.00 97.39 C 48.662 3.924 -20.884 1.00 97.18 N 49.326 4.896 -21.747 1.00 97.18 C 48.718 4.857 -23.149 1.00 97.18 C 48.654 3.801 -23.772 1.00 97.18 O 50.835 4.594 -21.795 1.00 97.18 C 51.535 4.756 -20.435 1.00 97.18 C 53.061 4.600 -20.531 1.00 97.18 C 53.505 3.180 -20.896 1.00 97.18 C 54.976 3.105 -21.071 1.00 97.18 N1+ 48.341 6.023 -23.662 1.00 97.54 N 47.898 6.233 -25.039 1.00 97.54 C 48.858 7.197 -25.749 1.00 97.54 C 48.939 8.358 -25.346 1.00 97.54 O 46.472 6.783 -25.032 1.00 97.54 C 45.421 5.715 -24.831 1.00 97.54 C 44.873 5.058 -25.945 1.00 97.54 C 45.002 5.356 -23.537 1.00 97.54 C 43.865 4.100 -25.770 1.00 97.54 C 44.027 4.355 -23.366 1.00 97.54 C 43.444 3.740 -24.485 1.00 97.54 C 49.615 6.762 -26.771 1.00 96.99 N 50.575 7.631 -27.447 1.00 96.99 C 49.869 8.744 -28.224 1.00 96.99 C 48.974 8.476 -29.028 1.00 96.99 O 51.377 6.725 -28.382 1.00 96.99 C 50.439 5.549 -28.631 1.00 96.99 C 49.655 5.420 -27.330 1.00 96.99 C 50.314 9.988 -28.036 1.00 97.17 N 49.918 11.098 -28.901 1.00 97.17 C 50.445 10.865 -30.320 1.00 97.17 C 51.560 10.376 -30.515 1.00 97.17 O 50.430 12.440 -28.345 1.00 97.17 C 49.616 13.021 -27.177 1.00 97.17 C 50.266 14.327 -26.714 1.00 97.17 C 48.179 13.367 -27.577 1.00 97.17 C 49.681 11.266 -31.329 1.00 96.13 N 50.153 11.214 -32.710 1.00 96.13 C 51.360 12.129 -32.913 1.00 96.13 C 51.437 13.202 -32.316 1.00 96.13 O 49.047 11.626 -33.680 1.00 96.13 C 47.958 10.555 -33.753 1.00 96.13 C 47.023 10.770 -34.942 1.00 96.13 C 46.495 9.740 -35.415 1.00 96.13 O 46.914 11.926 -35.410 1.00 96.13 O1- 52.287 11.762 -33.810 1.00 94.27 N 53.496 12.565 -34.082 1.00 94.27 C 53.172 14.040 -34.357 1.00 94.27 C 53.832 14.922 -33.817 1.00 94.27 O 54.284 11.983 -35.266 1.00 94.27 C 54.993 10.665 -34.923 1.00 94.27 C 55.873 10.212 -36.098 1.00 94.27 C 56.621 8.923 -35.738 1.00 94.27 C 57.502 8.469 -36.845 1.00 94.27 N1+ 52.120 14.308 -35.141 1.00 95.01 N 51.653 15.673 -35.432 1.00 95.01 C 51.187 16.399 -34.165 1.00 95.01 C 51.543 17.555 -33.965 1.00 95.01 O 50.542 15.613 -36.492 1.00 95.01 C 50.096 17.014 -36.942 1.00 95.01 C 48.975 16.920 -37.984 1.00 95.01 C 48.486 18.322 -38.363 1.00 95.01 C 47.324 18.257 -39.285 1.00 95.01 N1+ 50.429 15.725 -33.305 1.00 96.94 N 49.945 16.282 -32.039 1.00 96.94 C 51.052 16.464 -31.003 1.00 96.94 C 51.014 17.438 -30.261 1.00 96.94 O 48.835 15.396 -31.483 1.00 96.94 C 47.756 15.448 -32.392 1.00 96.94 O 52.073 15.604 -30.987 1.00 96.57 N 53.272 15.813 -30.170 1.00 96.57 C 53.994 17.100 -30.586 1.00 96.57 C 54.287 17.938 -29.739 1.00 96.57 O 54.227 14.614 -30.280 1.00 96.57 C 53.642 13.329 -29.683 1.00 96.57 C 54.630 12.169 -29.723 1.00 96.57 C 54.227 10.982 -30.105 1.00 96.57 N 55.791 12.289 -29.387 1.00 96.57 O 54.215 17.297 -31.892 1.00 95.10 N 54.828 18.522 -32.417 1.00 95.10 C 53.989 19.769 -32.107 1.00 95.10 C 54.544 20.789 -31.700 1.00 95.10 O 55.023 18.406 -33.935 1.00 95.10 C 56.073 17.365 -34.334 1.00 95.10 C 56.143 17.044 -36.121 1.00 95.10 S 56.761 18.641 -36.721 1.00 95.10 C 52.665 19.690 -32.275 1.00 95.80 N 51.748 20.795 -31.971 1.00 95.80 C 51.761 21.154 -30.479 1.00 95.80 C 51.901 22.324 -30.126 1.00 95.80 O 50.331 20.441 -32.446 1.00 95.80 C 49.367 21.619 -32.276 1.00 95.80 C 49.727 22.737 -32.707 1.00 95.80 O 48.269 21.406 -31.711 1.00 95.80 O1- 51.713 20.153 -29.594 1.00 96.10 N 51.813 20.363 -28.151 1.00 96.10 C 53.165 20.980 -27.770 1.00 96.10 C 53.199 21.988 -27.072 1.00 96.10 O 51.556 19.033 -27.423 1.00 96.10 C 51.599 19.141 -25.886 1.00 96.10 C 50.555 20.113 -25.326 1.00 96.10 C 51.356 17.764 -25.268 1.00 96.10 C 54.281 20.437 -28.260 1.00 94.62 N 55.610 20.990 -27.992 1.00 94.62 C 55.731 22.451 -28.450 1.00 94.62 C 56.229 23.291 -27.698 1.00 94.62 O 56.660 20.105 -28.671 1.00 94.62 C 56.819 18.549 -27.755 1.00 94.62 S 55.197 22.778 -29.636 1.00 94.63 N 55.141 24.150 -30.155 1.00 94.63 C 54.300 25.062 -29.260 1.00 94.63 C 54.765 26.140 -28.901 1.00 94.63 O 54.612 24.119 -31.596 1.00 94.63 C 54.603 25.515 -32.233 1.00 94.63 C 54.031 25.459 -33.651 1.00 94.63 C 53.987 26.874 -34.233 1.00 94.63 C 53.361 26.887 -35.577 1.00 94.63 N1+ 53.094 24.628 -28.877 1.00 94.08 N 52.192 25.347 -27.961 1.00 94.08 C 52.845 25.636 -26.604 1.00 94.08 C 52.598 26.684 -26.022 1.00 94.08 O 50.920 24.504 -27.769 1.00 94.08 C 49.895 24.645 -28.906 1.00 94.08 C 48.799 23.586 -28.723 1.00 94.08 C 47.654 23.723 -29.729 1.00 94.08 C 46.795 22.516 -29.692 1.00 94.08 N1+ 53.686 24.724 -26.116 1.00 94.63 N 54.361 24.833 -24.819 1.00 94.63 C 55.730 25.530 -24.868 1.00 94.63 C 56.308 25.791 -23.809 1.00 94.63 O 54.478 23.424 -24.219 1.00 94.63 C 53.137 22.734 -23.917 1.00 94.63 C 53.424 21.379 -23.274 1.00 94.63 C 52.246 23.550 -22.993 1.00 94.63 C 56.256 25.817 -26.063 1.00 92.65 N 57.586 26.399 -26.246 1.00 92.65 C 58.726 25.467 -25.819 1.00 92.65 C 59.729 25.944 -25.295 1.00 92.65 O 58.567 24.150 -26.000 1.00 92.24 N 59.576 23.139 -25.645 1.00 92.24 C 60.034 22.355 -26.878 1.00 92.24 C 59.271 22.144 -27.820 1.00 92.24 O 59.093 22.197 -24.513 1.00 92.24 C 57.911 21.304 -24.955 1.00 92.24 C 58.760 23.007 -23.247 1.00 92.24 C 57.453 20.284 -23.906 1.00 92.24 C 61.270 21.867 -26.853 1.00 88.71 N 61.798 20.887 -27.809 1.00 88.71 C 61.855 19.516 -27.146 1.00 88.71 C 62.403 19.363 -26.058 1.00 88.71 O 63.182 21.300 -28.336 1.00 88.71 C 63.053 22.296 -29.487 1.00 88.71 C 63.947 21.932 -27.332 1.00 88.71 O 61.266 18.505 -27.785 1.00 87.82 N 61.235 17.145 -27.260 1.00 87.82 C 61.271 16.119 -28.398 1.00 87.82 C 60.518 16.231 -29.362 1.00 87.82 O 59.986 16.975 -26.381 1.00 87.82 C 59.798 15.527 -25.990 1.00 87.82 C 58.675 14.954 -26.342 1.00 87.82 N 60.700 14.889 -25.471 1.00 87.82 O 62.115 15.099 -28.230 1.00 87.29 N 62.247 13.974 -29.158 1.00 87.29 C 61.742 12.649 -28.553 1.00 87.29 C 61.787 11.620 -29.223 1.00 87.29 O 63.718 13.870 -29.606 1.00 87.29 C 64.221 15.069 -30.395 1.00 87.29 C 65.516 15.173 -30.578 1.00 87.29 N 63.489 15.922 -30.863 1.00 87.29 O 61.298 12.652 -27.291 1.00 93.13 N 60.745 11.476 -26.619 1.00 93.13 C 59.255 11.309 -26.961 1.00 93.13 C 58.555 12.312 -27.110 1.00 93.13 O 60.938 11.588 -25.095 1.00 93.13 C 62.389 11.773 -24.620 1.00 93.13 C 62.419 11.893 -23.096 1.00 93.13 C 63.291 10.608 -25.035 1.00 93.13 C 58.732 10.075 -27.039 1.00 94.95 N 57.303 9.852 -27.227 1.00 94.95 C 56.497 10.411 -26.046 1.00 94.95 C 56.887 10.249 -24.888 1.00 94.95 O 57.146 8.336 -27.367 1.00 94.95 C 58.333 7.784 -26.576 1.00 94.95 C 59.428 8.813 -26.836 1.00 94.95 C 55.361 11.046 -26.347 1.00 97.37 N 54.417 11.557 -25.344 1.00 97.37 C 53.203 10.632 -25.253 1.00 97.37 C 52.555 10.365 -26.267 1.00 97.37 O 53.982 13.012 -25.633 1.00 97.37 C 55.192 13.932 -25.920 1.00 97.37 C 53.136 13.530 -24.453 1.00 97.37 C 54.845 15.405 -26.174 1.00 97.37 C 52.858 10.204 -24.040 1.00 97.84 N 51.680 9.390 -23.753 1.00 97.84 C 50.692 10.127 -22.851 1.00 97.84 C 51.053 10.631 -21.791 1.00 97.84 O 52.086 8.066 -23.102 1.00 97.84 C 52.983 7.190 -23.950 1.00 97.84 C 52.422 6.213 -24.794 1.00 97.84 C 54.381 7.334 -23.875 1.00 97.84 C 53.254 5.390 -25.576 1.00 97.84 C 55.216 6.504 -24.645 1.00 97.84 C 54.653 5.540 -25.505 1.00 97.84 C 55.459 4.745 -26.254 1.00 97.84 O 49.420 10.119 -23.233 1.00 97.83 N 48.305 10.416 -22.345 1.00 97.83 C 48.124 9.245 -21.377 1.00 97.83 C 47.866 8.125 -21.823 1.00 97.83 O 47.047 10.609 -23.204 1.00 97.83 C 47.241 12.022 -24.324 1.00 97.83 S 48.247 9.476 -20.069 1.00 97.28 N 47.984 8.434 -19.079 1.00 97.28 C 46.539 8.538 -18.599 1.00 97.28 C 46.183 9.503 -17.928 1.00 97.28 O 49.006 8.544 -17.942 1.00 97.28 C 48.932 7.398 -16.922 1.00 97.28 C 49.468 6.101 -17.522 1.00 97.28 C 49.773 7.718 -15.689 1.00 97.28 C 45.718 7.542 -18.921 1.00 96.70 N 44.338 7.439 -18.429 1.00 96.70 C 44.256 6.487 -17.242 1.00 96.70 C 45.165 5.687 -17.009 1.00 96.70 O 43.332 7.095 -19.551 1.00 96.70 C 43.427 5.676 -20.148 1.00 96.70 C 43.456 8.115 -20.695 1.00 96.70 C 42.857 4.544 -19.283 1.00 96.70 C 43.134 6.531 -16.530 1.00 95.71 N 42.760 5.536 -15.529 1.00 95.71 C 41.360 4.988 -15.816 1.00 95.71 C 40.469 5.745 -16.195 1.00 95.71 O 42.851 6.164 -14.140 1.00 95.71 C 42.415 5.286 -13.012 1.00 95.71 C 43.178 4.352 -12.405 1.00 95.71 C 41.107 5.219 -12.364 1.00 95.71 C 41.167 4.236 -11.333 1.00 95.71 C 39.873 5.877 -12.549 1.00 95.71 C 42.450 3.750 -11.398 1.00 95.71 N 40.075 3.927 -10.512 1.00 95.71 C 38.765 5.576 -11.732 1.00 95.71 C 38.864 4.609 -10.714 1.00 95.71 C 41.161 3.684 -15.632 1.00 95.47 N 39.840 3.044 -15.735 1.00 95.47 C 39.690 1.917 -14.717 1.00 95.47 C 40.642 1.183 -14.457 1.00 95.47 O 39.555 2.539 -17.163 1.00 95.47 C 40.519 1.461 -17.665 1.00 95.47 C 38.258 1.985 -17.191 1.00 95.47 O 38.485 1.752 -14.165 1.00 93.93 N 38.071 0.582 -13.372 1.00 93.93 C 37.468 -0.542 -14.227 1.00 93.93 C 37.143 -1.607 -13.707 1.00 93.93 O 37.082 1.020 -12.289 1.00 93.93 C 35.960 1.646 -12.884 1.00 93.93 O 37.322 -0.322 -15.538 1.00 95.21 N 36.710 -1.257 -16.491 1.00 95.21 C 37.624 -1.486 -17.701 1.00 95.21 C 37.360 -0.988 -18.790 1.00 95.21 O 35.309 -0.775 -16.913 1.00 95.21 C 34.290 -0.914 -15.783 1.00 95.21 C 35.302 0.581 -17.285 1.00 95.21 O 38.716 -2.265 -17.570 1.00 95.85 N 39.655 -2.503 -18.674 1.00 95.85 C 38.996 -3.006 -19.969 1.00 95.85 C 39.480 -2.727 -21.062 1.00 95.85 O 40.655 -3.529 -18.132 1.00 95.85 C 40.662 -3.251 -16.631 1.00 95.85 C 39.210 -2.880 -16.345 1.00 95.85 C 37.866 -3.707 -19.860 1.00 95.28 N 37.111 -4.215 -21.001 1.00 95.28 C 36.551 -3.113 -21.925 1.00 95.28 C 36.417 -3.327 -23.128 1.00 95.28 O 36.033 -5.166 -20.467 1.00 95.28 C 34.903 -4.505 -19.753 1.00 95.28 C 34.753 -4.381 -18.416 1.00 95.28 C 33.709 -3.927 -20.351 1.00 95.28 C 32.871 -3.444 -19.305 1.00 95.28 C 33.242 -3.792 -21.675 1.00 95.28 C 33.561 -3.735 -18.147 1.00 95.28 N 31.629 -2.846 -19.556 1.00 95.28 C 31.999 -3.194 -21.937 1.00 95.28 C 31.192 -2.723 -20.885 1.00 95.28 C 36.298 -1.898 -21.430 1.00 96.26 N 35.782 -0.799 -22.269 1.00 96.26 C 36.857 -0.170 -23.158 1.00 96.26 C 36.530 0.574 -24.084 1.00 96.26 O 35.117 0.302 -21.434 1.00 96.26 C 33.989 -0.233 -20.554 1.00 96.26 C 36.076 0.924 -20.617 1.00 96.26 O 38.145 -0.477 -22.941 1.00 96.40 N 39.262 0.109 -23.696 1.00 96.40 C 39.225 -0.230 -25.192 1.00 96.40 C 39.683 0.570 -26.011 1.00 96.40 O 40.597 -0.354 -23.088 1.00 96.40 C 40.866 0.184 -21.672 1.00 96.40 C 42.119 -0.476 -21.104 1.00 96.40 C 41.095 1.697 -21.669 1.00 96.40 C 38.637 -1.371 -25.565 1.00 95.17 N 38.415 -1.742 -26.969 1.00 95.17 C 37.371 -0.845 -27.656 1.00 95.17 C 37.376 -0.705 -28.880 1.00 95.17 O 38.007 -3.225 -27.048 1.00 95.17 C 39.045 -4.213 -26.482 1.00 95.17 C 38.589 -5.647 -26.734 1.00 95.17 C 40.412 -4.056 -27.142 1.00 95.17 C 36.518 -0.187 -26.870 1.00 95.72 N 35.451 0.698 -27.343 1.00 95.72 C 35.819 2.182 -27.314 1.00 95.72 C 34.999 3.048 -27.606 1.00 95.72 O 34.171 0.467 -26.543 1.00 95.72 C 33.838 -0.903 -26.520 1.00 95.72 O 37.059 2.501 -26.958 1.00 96.89 N 37.542 3.865 -26.816 1.00 96.89 C 37.443 4.674 -28.129 1.00 96.89 C 37.826 4.191 -29.203 1.00 96.89 O 38.977 3.726 -26.314 1.00 96.89 C 39.725 5.025 -26.241 1.00 96.89 C 39.274 5.984 -25.461 1.00 96.89 N 40.724 5.160 -26.913 1.00 96.89 O 36.944 5.915 -28.039 1.00 96.75 N 36.807 6.858 -29.169 1.00 96.75 C 37.372 8.252 -28.898 1.00 96.75 C 37.696 8.942 -29.854 1.00 96.75 O 35.330 6.948 -29.607 1.00 96.75 C 34.772 5.661 -30.242 1.00 96.75 C 35.497 5.312 -31.551 1.00 96.75 C 34.975 4.093 -32.182 1.00 96.75 N 35.350 2.847 -31.989 1.00 96.75 C 36.175 2.483 -31.038 1.00 96.75 N1+ 34.876 1.953 -32.795 1.00 96.75 N 37.558 8.643 -27.640 1.00 97.78 N 38.189 9.909 -27.264 1.00 97.78 C 38.891 9.798 -25.901 1.00 97.78 C 38.732 8.801 -25.193 1.00 97.78 O 37.129 11.016 -27.270 1.00 97.78 C 39.692 10.804 -25.562 1.00 98.07 N 40.143 11.048 -24.188 1.00 98.07 C 39.599 12.411 -23.780 1.00 98.07 C 39.883 13.409 -24.441 1.00 98.07 O 41.682 10.955 -24.059 1.00 98.07 C 42.123 9.482 -24.195 1.00 98.07 C 42.168 11.522 -22.710 1.00 98.07 C 43.639 9.284 -24.321 1.00 98.07 C 38.824 12.456 -22.702 1.00 97.61 N 38.325 13.707 -22.157 1.00 97.61 C 39.294 14.314 -21.142 1.00 97.61 C 39.881 13.610 -20.317 1.00 97.61 O 36.913 13.541 -21.599 1.00 97.61 C 35.789 13.345 -23.003 1.00 97.61 S 39.419 15.636 -21.191 1.00 96.97 N 40.175 16.458 -20.252 1.00 96.97 C 39.328 17.667 -19.824 1.00 96.97 C 38.375 18.048 -20.507 1.00 96.97 O 41.509 16.858 -20.906 1.00 96.97 C 41.400 17.870 -22.025 1.00 96.97 C 41.292 17.434 -23.357 1.00 96.97 C 41.408 19.246 -21.730 1.00 96.97 C 41.191 18.374 -24.396 1.00 96.97 C 41.269 20.183 -22.766 1.00 96.97 C 41.175 19.744 -24.095 1.00 96.97 C 39.665 18.304 -18.706 1.00 95.76 N 39.015 19.544 -18.293 1.00 95.76 C 39.906 20.735 -18.664 1.00 95.76 C 41.066 20.788 -18.272 1.00 95.76 O 38.683 19.483 -16.803 1.00 95.76 C 37.699 20.566 -16.420 1.00 95.76 C 36.784 20.283 -15.526 1.00 95.76 N 37.712 21.652 -16.978 1.00 95.76 O 39.392 21.692 -19.433 1.00 95.90 N 40.203 22.810 -19.921 1.00 95.90 C 40.627 23.774 -18.804 1.00 95.90 C 41.644 24.448 -18.957 1.00 95.90 O 39.447 23.529 -21.040 1.00 95.90 C 38.230 24.312 -20.521 1.00 95.90 C 37.369 24.886 -21.633 1.00 95.90 C 36.304 25.563 -21.273 1.00 95.90 N 37.639 24.747 -22.820 1.00 95.90 O 39.872 23.790 -17.700 1.00 94.79 N 40.100 24.641 -16.531 1.00 94.79 C 41.125 24.032 -15.557 1.00 94.79 C 41.487 24.649 -14.553 1.00 94.79 O 38.755 24.893 -15.821 1.00 94.79 C 37.686 25.522 -16.726 1.00 94.79 C 38.047 26.364 -17.581 1.00 94.79 O 36.504 25.143 -16.577 1.00 94.79 O1- 41.591 22.805 -15.822 1.00 95.51 N 42.608 22.142 -15.010 1.00 95.51 C 44.017 22.402 -15.536 1.00 95.51 C 44.253 22.643 -16.722 1.00 95.51 O 42.322 20.638 -14.874 1.00 95.51 C 41.081 20.237 -14.092 1.00 95.51 C 40.277 21.177 -13.411 1.00 95.51 C 40.716 18.878 -14.075 1.00 95.51 C 39.107 20.764 -12.753 1.00 95.51 C 39.535 18.470 -13.433 1.00 95.51 C 38.729 19.412 -12.773 1.00 95.51 C 44.979 22.291 -14.624 1.00 96.46 N 46.398 22.291 -14.952 1.00 96.46 C 46.870 20.875 -15.272 1.00 96.46 C 46.542 19.927 -14.562 1.00 96.46 O 47.184 22.884 -13.790 1.00 96.46 C 48.560 22.872 -14.093 1.00 96.46 O 47.696 20.743 -16.303 1.00 96.98 N 48.317 19.496 -16.733 1.00 96.98 C 49.835 19.616 -16.708 1.00 96.98 C 50.395 20.702 -16.866 1.00 96.98 O 47.812 19.102 -18.125 1.00 96.98 C 46.355 18.695 -18.129 1.00 96.98 C 46.000 17.337 -18.033 1.00 96.98 C 45.353 19.679 -18.152 1.00 96.98 C 44.648 16.964 -17.918 1.00 96.98 C 44.002 19.308 -18.046 1.00 96.98 C 43.643 17.951 -17.904 1.00 96.98 C 42.350 17.573 -17.713 1.00 96.98 O 50.502 18.481 -16.532 1.00 95.81 N 51.954 18.380 -16.479 1.00 95.81 C 52.463 17.325 -17.457 1.00 95.81 C 51.897 16.237 -17.567 1.00 95.81 O 52.421 18.063 -15.056 1.00 95.81 C 52.058 19.102 -14.159 1.00 95.81 O 53.565 17.643 -18.140 1.00 96.20 N 54.404 16.672 -18.842 1.00 96.20 C 55.511 16.210 -17.899 1.00 96.20 C 56.403 16.988 -17.555 1.00 96.20 O 54.996 17.292 -20.121 1.00 96.20 C 54.038 17.268 -21.320 1.00 96.20 C 54.583 18.175 -22.422 1.00 96.20 C 53.869 15.870 -21.911 1.00 96.20 C 55.446 14.947 -17.497 1.00 94.46 N 56.434 14.306 -16.641 1.00 94.46 C 57.354 13.441 -17.487 1.00 94.46 C 56.885 12.606 -18.253 1.00 94.46 O 55.741 13.441 -15.579 1.00 94.46 C 54.646 14.144 -14.765 1.00 94.46 C 54.181 13.173 -13.683 1.00 94.46 C 55.116 15.445 -14.113 1.00 94.46 C 58.661 13.588 -17.329 1.00 93.91 N 59.626 12.657 -17.893 1.00 93.91 C 59.799 11.476 -16.954 1.00 93.91 C 60.215 11.647 -15.810 1.00 93.91 O 60.927 13.400 -18.162 1.00 93.91 C 61.961 12.509 -18.848 1.00 93.91 C 63.225 13.333 -19.043 1.00 93.91 C 64.240 12.571 -19.779 1.00 93.91 N 65.412 13.061 -20.122 1.00 93.91 C 65.783 14.261 -19.760 1.00 93.91 N1+ 66.232 12.334 -20.829 1.00 93.91 N 59.512 10.289 -17.475 1.00 89.71 N 59.759 9.005 -16.833 1.00 89.71 C 60.668 8.200 -17.760 1.00 89.71 C 60.242 7.744 -18.818 1.00 89.71 O 58.422 8.281 -16.578 1.00 89.71 C 57.486 8.963 -15.566 1.00 89.71 C 56.192 8.168 -15.418 1.00 89.71 C 58.100 9.015 -14.177 1.00 89.71 C 61.938 8.038 -17.385 1.00 84.52 N 62.948 7.359 -18.202 1.00 84.52 C 63.061 7.957 -19.627 1.00 84.52 C 63.524 9.088 -19.811 1.00 84.52 O 62.688 5.832 -18.160 1.00 84.52 C 62.679 5.273 -16.751 1.00 84.52 C 61.779 4.369 -16.444 1.00 84.52 N 63.481 5.640 -15.913 1.00 84.52 O 62.659 7.185 -20.639 1.00 90.38 N 62.730 7.495 -22.070 1.00 90.38 C 61.376 7.882 -22.684 1.00 90.38 C 61.236 7.874 -23.906 1.00 90.38 O 63.384 6.319 -22.810 1.00 90.38 C 62.789 5.091 -22.423 1.00 90.38 O 60.384 8.249 -21.870 1.00 94.38 N 59.068 8.712 -22.325 1.00 94.38 C 58.568 9.926 -21.527 1.00 94.38 C 58.995 10.174 -20.395 1.00 94.38 O 58.058 7.545 -22.334 1.00 94.38 C 57.837 6.841 -20.981 1.00 94.38 C 56.908 5.613 -21.059 1.00 94.38 C 56.391 5.168 -20.008 1.00 94.38 O 56.687 5.043 -22.155 1.00 94.38 O1- 57.663 10.703 -22.132 1.00 95.94 N 56.913 11.750 -21.441 1.00 95.94 C 55.483 11.285 -21.173 1.00 95.94 C 54.792 10.811 -22.073 1.00 95.94 O 56.909 13.073 -22.223 1.00 95.94 C 58.274 13.732 -22.475 1.00 95.94 C 58.064 15.139 -23.033 1.00 95.94 C 59.114 13.871 -21.210 1.00 95.94 C 55.021 11.482 -19.946 1.00 96.04 N 53.671 11.176 -19.496 1.00 96.04 C 52.906 12.473 -19.252 1.00 96.04 C 53.322 13.320 -18.465 1.00 96.04 O 53.726 10.279 -18.245 1.00 96.04 C 54.399 8.914 -18.493 1.00 96.04 C 52.310 10.076 -17.704 1.00 96.04 C 53.903 8.110 -19.696 1.00 96.04 C 51.766 12.608 -19.922 1.00 96.88 N 50.804 13.675 -19.708 1.00 96.88 C 49.772 13.249 -18.657 1.00 96.88 C 49.091 12.237 -18.841 1.00 96.88 O 50.147 14.014 -21.054 1.00 96.88 C 49.054 15.085 -20.934 1.00 96.88 C 49.635 16.431 -20.528 1.00 96.88 C 48.318 15.223 -22.262 1.00 96.88 C 49.630 14.055 -17.603 1.00 95.76 N 48.637 13.891 -16.524 1.00 95.76 C 48.151 15.240 -16.003 1.00 95.76 C 48.815 16.257 -16.185 1.00 95.76 O 49.196 13.082 -15.336 1.00 95.76 C 49.310 11.606 -15.710 1.00 95.76 C 50.545 13.598 -14.816 1.00 95.76 C 47.001 15.257 -15.335 1.00 96.03 N 46.550 16.407 -14.547 1.00 96.03 C 47.480 16.617 -13.341 1.00 96.03 C 47.873 15.662 -12.665 1.00 96.03 O 45.084 16.176 -14.171 1.00 96.03 C 44.367 17.314 -13.436 1.00 96.03 C 44.656 17.347 -11.933 1.00 96.03 C 44.907 18.453 -11.412 1.00 96.03 O 44.650 16.262 -11.300 1.00 96.03 O1- 47.872 17.869 -13.097 1.00 94.03 N 48.930 18.221 -12.140 1.00 94.03 C 48.598 17.780 -10.709 1.00 94.03 C 49.470 17.272 -10.012 1.00 94.03 O 49.201 19.735 -12.172 1.00 94.03 C 50.360 20.127 -11.258 1.00 94.03 C 49.532 20.190 -13.474 1.00 94.03 O 47.348 17.912 -10.266 1.00 90.27 N 46.879 17.471 -8.949 1.00 90.27 C 46.746 15.951 -8.788 1.00 90.27 C 46.483 15.465 -7.689 1.00 90.27 O 46.933 15.172 -9.855 1.00 90.50 N 46.836 13.710 -9.831 1.00 90.50 C 48.197 13.010 -9.817 1.00 90.50 C 48.240 11.782 -9.744 1.00 90.50 O 45.936 13.230 -10.971 1.00 90.50 C 44.618 13.707 -10.746 1.00 90.50 O 49.302 13.767 -9.829 1.00 89.44 N 50.675 13.235 -9.811 1.00 89.44 C 50.915 12.359 -8.573 1.00 89.44 C 51.419 11.244 -8.705 1.00 89.44 O 51.698 14.392 -9.907 1.00 89.44 C 51.523 15.133 -11.255 1.00 89.44 C 53.139 13.862 -9.762 1.00 89.44 C 52.378 16.399 -11.396 1.00 89.44 C 50.463 12.794 -7.395 1.00 85.05 N 50.658 12.059 -6.135 1.00 85.05 C 50.020 10.656 -6.163 1.00 85.05 C 50.533 9.703 -5.575 1.00 85.05 O 50.079 12.883 -4.972 1.00 85.05 C 50.795 14.221 -4.747 1.00 85.05 C 51.960 14.344 -5.184 1.00 85.05 O 50.149 15.111 -4.156 1.00 85.05 O1- 48.936 10.476 -6.931 1.00 82.39 N 48.226 9.188 -7.074 1.00 82.39 C 49.000 8.175 -7.917 1.00 82.39 C 48.695 6.974 -7.915 1.00 82.39 O 46.847 9.411 -7.700 1.00 82.39 C 45.980 10.398 -6.909 1.00 82.39 C 44.713 10.700 -7.707 1.00 82.39 C 44.001 11.898 -7.088 1.00 82.39 C 43.251 12.632 -8.128 1.00 82.39 N1+ 50.006 8.628 -8.660 1.00 84.57 N 50.859 7.740 -9.436 1.00 84.57 C 51.779 6.916 -8.529 1.00 84.57 C 52.174 5.826 -8.939 1.00 84.57 O 51.611 8.532 -10.514 1.00 84.57 C 50.689 9.311 -11.472 1.00 84.57 C 51.539 10.028 -12.517 1.00 84.57 C 49.688 8.401 -12.193 1.00 84.57 C 51.989 7.326 -7.270 1.00 79.61 N 52.874 6.627 -6.331 1.00 79.61 C 54.351 6.792 -6.692 1.00 79.61 C 55.166 5.923 -6.394 1.00 79.61 O 54.675 7.883 -7.386 1.00 78.31 N 56.026 8.245 -7.787 1.00 78.31 C 56.770 8.862 -6.593 1.00 78.31 C 56.231 9.713 -5.889 1.00 78.31 O 55.925 9.223 -8.972 1.00 78.31 C 55.441 8.595 -10.294 1.00 78.31 C 55.147 9.700 -11.309 1.00 78.31 C 56.484 7.657 -10.907 1.00 78.31 C 58.019 8.456 -6.366 1.00 71.10 N 58.912 9.135 -5.413 1.00 71.10 C 59.490 10.400 -6.053 1.00 71.10 C 59.602 10.479 -7.276 1.00 71.10 O 60.030 8.204 -4.918 1.00 71.10 C 59.483 6.991 -4.166 1.00 71.10 C 60.794 7.719 -5.997 1.00 71.10 O 59.900 11.391 -5.260 1.00 65.81 N 60.404 12.692 -5.754 1.00 65.81 C 61.564 12.596 -6.751 1.00 65.81 C 61.719 13.488 -7.574 1.00 65.81 O 60.846 13.588 -4.582 1.00 65.81 C 59.696 14.456 -4.078 1.00 65.81 C 61.281 12.811 -3.481 1.00 65.81 O 62.341 11.509 -6.732 1.00 71.72 N 63.468 11.291 -7.649 1.00 71.72 C 63.113 10.433 -8.878 1.00 71.72 C 63.984 10.144 -9.693 1.00 71.72 O 64.631 10.670 -6.857 1.00 71.72 C 65.182 11.573 -5.769 1.00 71.72 C 65.962 11.027 -4.867 1.00 71.72 N 64.934 12.762 -5.693 1.00 71.72 O 61.867 9.967 -8.996 1.00 81.73 N 61.453 9.031 -10.053 1.00 81.73 C 60.952 9.709 -11.330 1.00 81.73 C 60.712 9.022 -12.322 1.00 81.73 O 60.437 8.021 -9.515 1.00 81.73 C 59.235 8.638 -9.109 1.00 81.73 O 60.808 11.038 -11.326 1.00 88.80 N 60.317 11.806 -12.465 1.00 88.80 C 60.872 13.232 -12.489 1.00 88.80 C 61.266 13.780 -11.465 1.00 88.80 O 58.783 11.821 -12.441 1.00 88.80 C 58.139 12.683 -11.380 1.00 88.80 C 57.952 12.173 -10.083 1.00 88.80 C 57.698 13.980 -11.693 1.00 88.80 C 57.294 12.942 -9.109 1.00 88.80 C 57.044 14.752 -10.718 1.00 88.80 C 56.836 14.231 -9.429 1.00 88.80 C 60.852 13.847 -13.667 1.00 90.84 N 61.175 15.262 -13.867 1.00 90.84 C 59.966 15.961 -14.504 1.00 90.84 C 59.475 15.532 -15.548 1.00 90.84 O 62.445 15.362 -14.730 1.00 90.84 C 62.845 16.795 -15.119 1.00 90.84 C 63.963 16.853 -16.183 1.00 90.84 C 64.481 17.970 -16.393 1.00 90.84 O 64.266 15.821 -16.839 1.00 90.84 O1- 59.465 17.041 -13.903 1.00 92.69 N 58.401 17.850 -14.518 1.00 92.69 C 59.002 18.758 -15.587 1.00 92.69 C 59.633 19.760 -15.268 1.00 92.69 O 57.635 18.682 -13.480 1.00 92.69 C 56.484 19.476 -14.105 1.00 92.69 C 57.051 17.827 -12.527 1.00 92.69 O 58.763 18.443 -16.860 1.00 93.74 N 59.267 19.222 -18.001 1.00 93.74 C 58.509 20.542 -18.140 1.00 93.74 C 59.095 21.598 -18.381 1.00 93.74 O 59.150 18.386 -19.298 1.00 93.74 C 59.925 17.053 -19.215 1.00 93.74 C 59.597 19.185 -20.537 1.00 93.74 C 61.428 17.196 -18.934 1.00 93.74 C 57.178 20.485 -18.027 1.00 94.89 N 56.317 21.661 -18.161 1.00 94.89 C 54.968 21.430 -17.499 1.00 94.89 C 54.389 20.357 -17.647 1.00 94.89 O 56.135 21.985 -19.660 1.00 94.89 C 55.620 23.405 -19.941 1.00 94.89 C 56.659 24.485 -19.603 1.00 94.89 C 56.148 25.855 -20.057 1.00 94.89 C 57.175 26.906 -19.856 1.00 94.89 N1+ 54.455 22.471 -16.853 1.00 96.17 N 53.072 22.577 -16.399 1.00 96.17 C 52.336 23.624 -17.247 1.00 96.17 C 52.923 24.648 -17.607 1.00 96.17 O 53.074 22.910 -14.905 1.00 96.17 C 51.662 22.954 -14.316 1.00 96.17 C 51.663 23.247 -12.820 1.00 96.17 C 50.551 23.667 -12.265 1.00 96.17 N 52.655 23.115 -12.126 1.00 96.17 O 51.079 23.361 -17.604 1.00 97.23 N 50.300 24.193 -18.522 1.00 97.23 C 48.786 24.019 -18.344 1.00 97.23 C 48.322 23.067 -17.729 1.00 97.23 O 50.716 23.860 -19.958 1.00 97.23 C 50.517 22.412 -20.362 1.00 97.23 C 51.528 21.461 -20.132 1.00 97.23 C 49.335 22.024 -21.012 1.00 97.23 C 51.360 20.140 -20.571 1.00 97.23 C 49.172 20.709 -21.468 1.00 97.23 C 50.196 19.773 -21.267 1.00 97.23 C 48.007 24.948 -18.902 1.00 96.69 N 46.540 24.919 -18.845 1.00 96.69 C 45.940 23.904 -19.822 1.00 96.69 C 46.416 23.789 -20.956 1.00 96.69 O 45.989 26.326 -19.138 1.00 96.69 C 46.227 27.298 -17.970 1.00 96.69 C 45.459 26.895 -16.713 1.00 96.69 C 45.879 27.307 -15.540 1.00 96.69 N 44.475 26.187 -16.758 1.00 96.69 O 44.858 23.233 -19.422 1.00 96.11 N 44.183 22.198 -20.208 1.00 96.11 C 43.762 22.651 -21.606 1.00 96.11 C 43.784 21.852 -22.537 1.00 96.11 O 43.497 23.943 -21.809 1.00 96.37 N 43.203 24.540 -23.126 1.00 96.37 C 44.220 24.199 -24.226 1.00 96.37 C 43.839 24.125 -25.395 1.00 96.37 O 43.116 26.070 -23.021 1.00 96.37 C 41.925 26.527 -22.183 1.00 96.37 C 44.279 26.593 -22.418 1.00 96.37 O 45.487 23.929 -23.887 1.00 96.61 N 46.519 23.546 -24.863 1.00 96.61 C 46.303 22.142 -25.459 1.00 96.61 C 46.821 21.854 -26.542 1.00 96.61 O 47.914 23.644 -24.226 1.00 96.61 C 48.278 25.032 -23.760 1.00 96.61 C 49.006 25.973 -24.438 1.00 96.61 C 47.895 25.606 -22.572 1.00 96.61 N 48.368 26.862 -22.542 1.00 96.61 C 49.065 27.126 -23.654 1.00 96.61 N 45.520 21.286 -24.790 1.00 97.27 N 45.191 19.931 -25.245 1.00 97.27 C 44.132 19.907 -26.358 1.00 97.27 C 43.966 18.883 -27.022 1.00 97.27 O 44.742 19.074 -24.045 1.00 97.27 C 45.764 18.942 -22.904 1.00 97.27 C 45.191 18.070 -21.788 1.00 97.27 C 47.072 18.319 -23.398 1.00 97.27 C 43.449 21.029 -26.608 1.00 94.32 N 42.460 21.132 -27.678 1.00 94.32 C 43.079 20.856 -29.059 1.00 94.32 C 44.131 21.401 -29.416 1.00 94.32 O 41.792 22.518 -27.648 1.00 94.32 C 40.696 22.624 -26.605 1.00 94.32 C 40.637 23.704 -25.864 1.00 94.32 N 39.864 21.747 -26.471 1.00 94.32 O 42.381 20.039 -29.851 1.00 93.58 N 42.764 19.687 -31.222 1.00 93.58 C 43.876 18.639 -31.333 1.00 93.58 C 44.354 18.383 -32.438 1.00 93.58 O 44.303 18.038 -30.218 1.00 97.76 N 45.278 16.949 -30.221 1.00 97.76 C 44.606 15.592 -30.459 1.00 97.76 C 43.446 15.390 -30.109 1.00 97.76 O 46.089 16.955 -28.917 1.00 97.76 C 46.834 18.266 -28.614 1.00 97.76 C 47.700 18.052 -27.376 1.00 97.76 C 47.744 18.742 -29.748 1.00 97.76 C 45.366 14.661 -31.032 1.00 98.06 N 44.944 13.307 -31.359 1.00 98.06 C 45.941 12.279 -30.809 1.00 98.06 C 47.145 12.539 -30.710 1.00 98.06 O 44.755 13.155 -32.879 1.00 98.06 C 43.535 13.871 -33.440 1.00 98.06 C 42.390 13.134 -33.799 1.00 98.06 C 43.539 15.271 -33.606 1.00 98.06 C 41.250 13.789 -34.299 1.00 98.06 C 42.397 15.935 -34.091 1.00 98.06 C 41.248 15.191 -34.438 1.00 98.06 C 40.140 15.821 -34.907 1.00 98.06 O 45.435 11.102 -30.455 1.00 97.51 N 46.199 9.956 -29.958 1.00 97.51 C 45.833 8.681 -30.724 1.00 97.51 C 44.829 8.636 -31.438 1.00 97.51 O 45.961 9.777 -28.448 1.00 97.51 C 44.589 9.236 -28.106 1.00 97.51 C 43.500 10.115 -28.049 1.00 97.51 C 44.388 7.859 -27.906 1.00 97.51 C 42.211 9.635 -27.796 1.00 97.51 C 43.096 7.366 -27.636 1.00 97.51 C 42.008 8.261 -27.592 1.00 97.51 C 40.741 7.832 -27.405 1.00 97.51 O 46.629 7.628 -30.546 1.00 95.62 N 46.352 6.307 -31.113 1.00 95.62 C 46.024 5.285 -30.031 1.00 95.62 C 46.707 5.193 -29.011 1.00 95.62 O 47.518 5.829 -31.984 1.00 95.62 C 47.692 6.755 -33.189 1.00 95.62 C 48.663 6.223 -34.230 1.00 95.62 C 48.548 6.690 -35.454 1.00 95.62 N 49.540 5.412 -33.976 1.00 95.62 O 45.002 4.467 -30.283 1.00 94.60 N 44.707 3.291 -29.473 1.00 94.60 C 45.449 2.070 -30.037 1.00 94.60 C 44.899 1.297 -30.823 1.00 94.60 O 43.186 3.096 -29.376 1.00 94.60 C 42.826 1.983 -28.406 1.00 94.60 C 41.575 1.893 -28.030 1.00 94.60 N 43.666 1.232 -27.940 1.00 94.60 O 46.706 1.895 -29.624 1.00 93.58 N 47.549 0.784 -30.081 1.00 93.58 C 47.072 -0.599 -29.602 1.00 93.58 C 47.507 -1.603 -30.155 1.00 93.58 O 49.002 1.023 -29.642 1.00 93.58 C 49.717 2.241 -30.247 1.00 93.58 C 51.195 2.175 -29.856 1.00 93.58 C 49.630 2.308 -31.770 1.00 93.58 C 46.168 -0.677 -28.615 1.00 92.58 N 45.534 -1.946 -28.246 1.00 92.58 C 44.650 -2.466 -29.388 1.00 92.58 C 44.613 -3.668 -29.628 1.00 92.58 O 44.728 -1.755 -26.945 1.00 92.58 C 43.956 -2.996 -26.462 1.00 92.58 C 44.890 -4.146 -26.088 1.00 92.58 C 43.107 -2.634 -25.242 1.00 92.58 C 43.953 -1.561 -30.083 1.00 90.97 N 43.043 -1.883 -31.190 1.00 90.97 C 43.764 -1.877 -32.543 1.00 90.97 C 43.365 -2.619 -33.430 1.00 90.97 O 41.829 -0.933 -31.168 1.00 90.97 C 40.821 -1.276 -32.258 1.00 90.97 C 41.065 -1.031 -29.838 1.00 90.97 C 44.834 -1.096 -32.706 1.00 85.87 N 45.685 -1.056 -33.913 1.00 85.87 C 44.902 -0.937 -35.242 1.00 85.87 C 45.160 -1.620 -36.232 1.00 85.87 O 46.719 -2.197 -33.900 1.00 85.87 C 47.835 -1.999 -34.941 1.00 85.87 C 48.125 -0.827 -35.294 1.00 85.87 O 48.432 -3.021 -35.352 1.00 85.87 O1- 43.902 -0.054 -35.263 1.00 88.28 N 43.099 0.266 -36.452 1.00 88.28 C 43.668 1.437 -37.270 1.00 88.28 C 43.106 1.817 -38.296 1.00 88.28 O 41.638 0.503 -36.039 1.00 88.28 C 41.429 1.616 -35.002 1.00 88.28 C 42.356 2.403 -34.686 1.00 88.28 O 40.320 1.675 -34.433 1.00 88.28 O1- 44.798 2.009 -36.827 1.00 86.50 N 45.446 3.206 -37.392 1.00 86.50 C 44.546 4.451 -37.437 1.00 86.50 C 44.849 5.390 -38.172 1.00 86.50 O 46.082 2.893 -38.759 1.00 86.50 C 47.061 1.715 -38.694 1.00 86.50 C 47.754 1.522 -40.044 1.00 86.50 C 48.720 0.345 -39.913 1.00 86.50 C 49.428 0.080 -41.187 1.00 86.50 N1+ 43.478 4.490 -36.637 1.00 90.98 N 42.576 5.643 -36.537 1.00 90.98 C 43.009 6.550 -35.384 1.00 90.98 C 43.000 6.149 -34.214 1.00 90.98 O 41.107 5.197 -36.399 1.00 90.98 C 40.163 6.404 -36.327 1.00 90.98 C 40.667 4.343 -37.596 1.00 90.98 C 43.360 7.795 -35.716 1.00 94.34 N 43.600 8.858 -34.742 1.00 94.34 C 42.312 9.265 -34.029 1.00 94.34 C 41.279 9.470 -34.665 1.00 94.34 O 42.361 9.388 -32.701 1.00 97.00 N 41.213 9.730 -31.843 1.00 97.00 C 41.452 11.058 -31.121 1.00 97.00 C 42.582 11.294 -30.699 1.00 97.00 O 40.989 8.600 -30.837 1.00 97.00 C 40.427 7.332 -31.491 1.00 97.00 C 40.496 6.181 -30.482 1.00 97.00 C 39.921 4.932 -31.007 1.00 97.00 N 40.446 4.085 -31.877 1.00 97.00 C 41.577 4.252 -32.504 1.00 97.00 N1+ 39.800 2.995 -32.143 1.00 97.00 N 40.437 11.922 -30.959 1.00 97.81 N 40.631 13.262 -30.416 1.00 97.81 C 40.760 13.288 -28.888 1.00 97.81 C 40.178 12.466 -28.170 1.00 97.81 O 39.414 14.062 -30.888 1.00 97.81 C 38.313 13.005 -30.949 1.00 97.81 C 39.067 11.768 -31.435 1.00 97.81 C 41.473 14.301 -28.397 1.00 98.26 N 41.346 14.809 -27.036 1.00 98.26 C 40.235 15.862 -27.019 1.00 98.26 C 40.266 16.806 -27.812 1.00 98.26 O 42.672 15.401 -26.522 1.00 98.26 C 43.685 14.363 -26.012 1.00 98.26 C 44.416 13.637 -27.140 1.00 98.26 C 44.747 15.056 -25.155 1.00 98.26 C 39.269 15.709 -26.116 1.00 97.43 N 38.085 16.566 -26.040 1.00 97.43 C 37.938 17.193 -24.658 1.00 97.43 C 38.239 16.573 -23.640 1.00 97.43 O 36.828 15.761 -26.411 1.00 97.43 C 36.800 15.247 -27.862 1.00 97.43 C 35.552 14.392 -28.062 1.00 97.43 C 36.777 16.381 -28.889 1.00 97.43 C 37.418 18.415 -24.619 1.00 95.73 N 36.975 18.993 -23.363 1.00 95.73 C 35.731 18.251 -22.845 1.00 95.73 C 34.763 18.062 -23.581 1.00 95.73 O 36.710 20.491 -23.528 1.00 95.73 C 36.086 21.080 -22.291 1.00 95.73 C 34.835 21.624 -22.194 1.00 95.73 C 36.608 21.026 -21.020 1.00 95.73 N 35.705 21.557 -20.175 1.00 95.73 C 34.601 21.917 -20.847 1.00 95.73 N 35.739 17.877 -21.565 1.00 92.41 N 34.582 17.331 -20.867 1.00 92.41 C 34.464 17.887 -19.452 1.00 92.41 C 35.296 17.592 -18.600 1.00 92.41 O 33.390 18.631 -19.174 1.00 88.60 N 33.122 19.191 -17.843 1.00 88.60 C 32.868 18.122 -16.757 1.00 88.60 C 32.995 18.405 -15.570 1.00 88.60 O 31.936 20.154 -17.964 1.00 88.60 C 32.539 16.888 -17.157 1.00 88.95 N 32.397 15.735 -16.260 1.00 88.95 C 33.745 15.233 -15.700 1.00 88.95 C 33.756 14.468 -14.737 1.00 88.95 O 31.657 14.604 -16.999 1.00 88.95 C 32.517 13.934 -18.041 1.00 88.95 C 33.168 12.736 -17.909 1.00 88.95 C 32.928 14.485 -19.228 1.00 88.95 N 33.833 13.659 -19.774 1.00 88.95 C 34.015 12.581 -19.010 1.00 88.95 N 34.885 15.646 -16.274 1.00 92.21 N 36.210 15.289 -15.752 1.00 92.21 C 36.473 16.066 -14.462 1.00 92.21 C 36.590 17.294 -14.470 1.00 92.21 O 37.323 15.516 -16.794 1.00 92.21 C 38.701 15.149 -16.223 1.00 92.21 C 37.073 14.685 -18.062 1.00 92.21 C 36.589 15.340 -13.350 1.00 88.26 N 36.808 15.896 -12.009 1.00 88.26 C 38.255 15.740 -11.544 1.00 88.26 C 38.957 14.794 -11.908 1.00 88.26 O 35.855 15.271 -10.978 1.00 88.26 C 34.390 15.572 -11.287 1.00 88.26 C 35.994 13.871 -10.949 1.00 88.26 O 38.710 16.675 -10.707 1.00 75.98 N 39.972 16.555 -9.981 1.00 75.98 C 39.713 15.768 -8.693 1.00 75.98 C 38.935 16.171 -7.835 1.00 75.98 O 40.592 17.938 -9.733 1.00 75.98 C 39.704 18.792 -9.038 1.00 75.98 O 40.301 14.578 -8.567 1.00 74.28 N 40.086 13.746 -7.372 1.00 74.28 C 40.297 12.256 -7.593 1.00 74.28 C 40.904 11.595 -6.755 1.00 74.28 O 39.984 11.750 -8.784 1.00 78.46 N 40.070 10.314 -9.096 1.00 78.46 C 40.777 10.094 -10.434 1.00 78.46 C 40.639 10.895 -11.353 1.00 78.46 O 38.672 9.664 -9.087 1.00 78.46 C 38.732 8.195 -8.670 1.00 78.46 C 37.821 10.294 -8.155 1.00 78.46 O 41.585 9.035 -10.544 1.00 87.72 N 42.342 8.740 -11.764 1.00 87.72 C 43.480 9.731 -12.044 1.00 87.72 C 44.261 10.043 -11.145 1.00 87.72 O 43.595 10.177 -13.298 1.00 94.16 N 44.716 10.987 -13.824 1.00 94.16 C 44.296 12.349 -14.386 1.00 94.16 C 45.124 13.048 -14.969 1.00 94.16 O 45.431 10.224 -14.946 1.00 94.16 C 46.043 8.909 -14.476 1.00 94.16 C 44.496 9.921 -15.950 1.00 94.16 O 43.006 12.696 -14.292 1.00 93.24 N 42.404 13.855 -14.968 1.00 93.24 C 42.382 13.768 -16.504 1.00 93.24 C 42.078 14.758 -17.173 1.00 93.24 O 42.685 12.586 -17.053 1.00 96.46 N 42.440 12.189 -18.437 1.00 96.46 C 41.547 10.947 -18.423 1.00 96.46 C 41.951 9.879 -17.956 1.00 96.46 O 43.768 11.889 -19.146 1.00 96.46 C 44.689 13.098 -19.347 1.00 96.46 C 46.031 12.595 -19.864 1.00 96.46 C 44.128 14.089 -20.368 1.00 96.46 C 40.324 11.090 -18.920 1.00 96.42 N 39.305 10.038 -18.868 1.00 96.42 C 39.195 9.398 -20.241 1.00 96.42 C 38.914 10.072 -21.228 1.00 96.42 O 37.962 10.596 -18.361 1.00 96.42 C 36.891 9.505 -18.274 1.00 96.42 C 38.127 11.197 -16.957 1.00 96.42 C 39.434 8.091 -20.323 1.00 96.67 N 39.114 7.331 -21.528 1.00 96.67 C 37.601 7.405 -21.771 1.00 96.67 C 36.828 7.136 -20.859 1.00 96.67 O 39.614 5.882 -21.371 1.00 96.67 C 38.626 4.832 -21.812 1.00 96.67 C 37.691 4.202 -21.034 1.00 96.67 C 38.448 4.389 -23.095 1.00 96.67 N 37.443 3.500 -23.094 1.00 96.67 C 36.962 3.338 -21.857 1.00 96.67 N 37.196 7.736 -22.995 1.00 97.37 N 35.784 7.889 -23.354 1.00 97.37 C 35.375 6.809 -24.347 1.00 97.37 C 35.963 6.691 -25.433 1.00 97.37 O 35.532 9.295 -23.907 1.00 97.37 C 34.065 9.608 -24.162 1.00 97.37 C 35.989 10.244 -22.975 1.00 97.37 O 34.366 6.026 -23.974 1.00 96.99 N 33.696 5.022 -24.790 1.00 96.99 C 32.184 5.317 -24.813 1.00 96.99 C 31.448 4.823 -23.955 1.00 96.99 O 34.009 3.629 -24.235 1.00 96.99 C 31.690 6.087 -25.806 1.00 95.74 N 30.295 6.542 -25.859 1.00 95.74 C 29.246 5.425 -25.801 1.00 95.74 C 28.107 5.665 -25.417 1.00 95.74 O 30.187 7.332 -27.165 1.00 95.74 C 31.597 7.861 -27.391 1.00 95.74 C 32.460 6.715 -26.874 1.00 95.74 C 29.618 4.192 -26.155 1.00 95.49 N 28.760 3.020 -26.032 1.00 95.49 C 28.654 2.418 -24.627 1.00 95.49 C 27.933 1.439 -24.482 1.00 95.49 O 29.356 2.926 -23.608 1.00 96.06 N 29.453 2.289 -22.281 1.00 96.06 C 29.363 3.254 -21.087 1.00 96.06 C 29.495 2.822 -19.944 1.00 96.06 O 30.739 1.452 -22.208 1.00 96.06 C 30.785 0.354 -23.235 1.00 96.06 C 31.659 0.253 -24.275 1.00 96.06 C 29.924 -0.711 -23.322 1.00 96.06 N 30.283 -1.448 -24.387 1.00 96.06 C 31.341 -0.898 -25.007 1.00 96.06 N 29.090 4.539 -21.317 1.00 91.96 N 28.936 5.538 -20.258 1.00 91.96 C 27.958 6.635 -20.661 1.00 91.96 C 27.885 7.005 -21.829 1.00 91.96 O 27.180 7.149 -19.705 1.00 88.67 N 26.174 8.176 -19.992 1.00 88.67 C 26.813 9.529 -20.336 1.00 88.67 C 26.397 10.162 -21.305 1.00 88.67 O 25.198 8.279 -18.807 1.00 88.67 C 24.068 9.297 -19.033 1.00 88.67 C 23.258 9.019 -20.294 1.00 88.67 C 22.895 10.041 -21.038 1.00 88.67 N 22.949 7.899 -20.655 1.00 88.67 O 27.826 9.956 -19.581 1.00 90.63 N 28.566 11.191 -19.871 1.00 90.63 C 29.382 11.048 -21.164 1.00 90.63 C 29.357 11.933 -22.022 1.00 90.63 O 29.456 11.560 -18.675 1.00 90.63 C 28.636 11.910 -17.427 1.00 90.63 C 27.565 12.541 -17.589 1.00 90.63 O 29.071 11.521 -16.323 1.00 90.63 O1- 30.002 9.881 -21.364 1.00 94.52 N 30.702 9.517 -22.596 1.00 94.52 C 29.792 9.604 -23.823 1.00 94.52 C 30.205 10.097 -24.872 1.00 94.52 O 31.230 8.073 -22.509 1.00 94.52 C 32.268 7.808 -21.422 1.00 94.52 C 32.255 8.508 -20.392 1.00 94.52 O 33.076 6.884 -21.659 1.00 94.52 O1- 28.547 9.136 -23.699 1.00 93.73 N 27.540 9.224 -24.751 1.00 93.73 C 27.195 10.668 -25.088 1.00 93.73 C 27.159 11.019 -26.263 1.00 93.73 O 26.286 8.463 -24.326 1.00 93.73 C 25.102 8.632 -25.253 1.00 93.73 C 24.093 9.569 -24.956 1.00 93.73 C 25.027 7.860 -26.425 1.00 93.73 C 22.995 9.722 -25.827 1.00 93.73 C 23.936 8.013 -27.298 1.00 93.73 C 22.916 8.938 -27.001 1.00 93.73 C 21.854 9.058 -27.840 1.00 93.73 O 26.969 11.517 -24.080 1.00 91.87 N 26.641 12.926 -24.304 1.00 91.87 C 27.776 13.651 -25.037 1.00 91.87 C 27.519 14.367 -26.004 1.00 91.87 O 26.324 13.609 -22.963 1.00 91.87 C 25.023 13.133 -22.295 1.00 91.87 C 24.894 13.771 -20.913 1.00 91.87 C 23.777 13.491 -23.110 1.00 91.87 C 29.026 13.401 -24.641 1.00 92.97 N 30.198 13.930 -25.349 1.00 92.97 C 30.312 13.347 -26.751 1.00 92.97 C 30.645 14.076 -27.688 1.00 92.97 O 31.473 13.670 -24.529 1.00 92.97 C 31.390 14.628 -23.328 1.00 92.97 C 32.764 13.887 -25.351 1.00 92.97 C 32.626 14.608 -22.458 1.00 92.97 C 30.026 12.054 -26.900 1.00 93.98 N 30.025 11.380 -28.186 1.00 93.98 C 29.050 12.024 -29.161 1.00 93.98 C 29.460 12.423 -30.245 1.00 93.98 O 27.802 12.236 -28.745 1.00 91.28 N 26.793 12.936 -29.546 1.00 91.28 C 27.231 14.370 -29.858 1.00 91.28 C 27.197 14.773 -31.019 1.00 91.28 O 25.425 12.888 -28.829 1.00 91.28 C 24.854 11.453 -28.741 1.00 91.28 C 24.396 13.822 -29.494 1.00 91.28 C 24.548 10.767 -30.080 1.00 91.28 C 27.690 15.129 -28.857 1.00 92.76 N 28.095 16.528 -29.036 1.00 92.76 C 29.229 16.699 -30.062 1.00 92.76 C 29.269 17.706 -30.764 1.00 92.76 O 28.504 17.097 -27.667 1.00 92.76 C 28.877 18.587 -27.729 1.00 92.76 C 29.297 19.164 -26.383 1.00 92.76 C 29.673 20.423 -26.342 1.00 92.76 N 29.317 18.515 -25.351 1.00 92.76 O 30.142 15.728 -30.150 1.00 94.34 N 31.332 15.795 -31.003 1.00 94.34 C 31.271 14.850 -32.217 1.00 94.34 C 32.282 14.667 -32.892 1.00 94.34 O 32.586 15.575 -30.139 1.00 94.34 C 32.778 16.677 -29.118 1.00 94.34 C 32.273 16.498 -27.920 1.00 94.34 N 33.380 17.703 -29.380 1.00 94.34 O 30.118 14.232 -32.495 1.00 93.87 N 29.949 13.312 -33.623 1.00 93.87 C 30.799 12.036 -33.538 1.00 93.87 C 31.215 11.511 -34.569 1.00 93.87 O 31.093 11.544 -32.330 1.00 94.40 N 31.777 10.265 -32.132 1.00 94.40 C 30.819 9.091 -32.355 1.00 94.40 C 29.645 9.132 -31.994 1.00 94.40 O 32.408 10.142 -30.734 1.00 94.40 C 33.327 11.291 -30.288 1.00 94.40 C 33.876 10.979 -28.893 1.00 94.40 C 34.516 11.471 -31.232 1.00 94.40 C 31.366 7.998 -32.875 1.00 92.65 N 30.655 6.730 -33.011 1.00 92.65 C 30.217 6.176 -31.639 1.00 92.65 C 31.035 6.016 -30.726 1.00 92.65 O 31.593 5.752 -33.724 1.00 92.65 C 30.920 4.424 -34.097 1.00 92.65 C 31.935 3.360 -34.540 1.00 92.65 C 31.496 2.328 -35.079 1.00 92.65 O 33.148 3.517 -34.239 1.00 92.65 O1- 28.935 5.814 -31.508 1.00 93.61 N 28.387 5.128 -30.325 1.00 93.61 C 28.688 3.628 -30.419 1.00 93.61 C 27.816 2.794 -30.652 1.00 93.61 O 26.892 5.453 -30.101 1.00 93.61 C 26.571 6.963 -30.188 1.00 93.61 C 26.425 4.901 -28.739 1.00 93.61 C 27.415 7.883 -29.293 1.00 93.61 C 29.968 3.295 -30.288 1.00 93.93 N 30.482 1.949 -30.510 1.00 93.93 C 30.390 1.077 -29.250 1.00 93.93 C 30.939 1.431 -28.203 1.00 93.93 O 31.910 2.086 -31.021 1.00 93.93 C 32.551 0.772 -31.383 1.00 93.93 C 33.604 0.300 -30.589 1.00 93.93 C 32.156 0.066 -32.534 1.00 93.93 C 34.301 -0.864 -30.950 1.00 93.93 C 32.816 -1.128 -32.879 1.00 93.93 C 33.889 -1.587 -32.089 1.00 93.93 C 34.559 -2.712 -32.411 1.00 93.93 O 29.699 -0.065 -29.347 1.00 94.26 N 29.433 -0.979 -28.227 1.00 94.26 C 29.472 -2.452 -28.680 1.00 94.26 C 28.423 -3.073 -28.840 1.00 94.26 O 28.084 -0.617 -27.587 1.00 94.26 C 28.023 -1.074 -26.250 1.00 94.26 O 30.667 -3.040 -28.889 1.00 94.43 N 30.845 -4.379 -29.454 1.00 94.43 C 30.595 -5.488 -28.421 1.00 94.43 C 31.440 -6.360 -28.208 1.00 94.43 O 32.263 -4.366 -30.031 1.00 94.43 C 33.001 -3.514 -29.000 1.00 94.43 C 31.969 -2.436 -28.665 1.00 94.43 C 29.452 -5.437 -27.732 1.00 94.85 N 29.071 -6.361 -26.656 1.00 94.85 C 27.642 -6.861 -26.861 1.00 94.85 C 26.705 -6.075 -26.982 1.00 94.85 O 29.239 -5.723 -25.263 1.00 94.85 C 28.921 -6.729 -24.149 1.00 94.85 C 30.674 -5.232 -25.035 1.00 94.85 C 27.471 -8.180 -26.869 1.00 92.33 N 26.197 -8.844 -27.125 1.00 92.33 C 25.270 -8.896 -25.895 1.00 92.33 C 25.590 -8.440 -24.790 1.00 92.33 O 26.443 -10.236 -27.743 1.00 92.33 C 26.895 -11.338 -26.775 1.00 92.33 C 26.847 -11.131 -25.539 1.00 92.33 O 27.204 -12.437 -27.273 1.00 92.33 O1- 24.093 -9.501 -26.090 1.00 89.24 N 23.048 -9.685 -25.079 1.00 89.24 C 23.471 -10.501 -23.845 1.00 89.24 C 22.860 -10.328 -22.789 1.00 89.24 O 21.778 -10.210 -25.745 1.00 89.24 C 21.939 -11.570 -26.347 1.00 89.24 C 21.695 -12.752 -25.712 1.00 89.24 C 22.376 -11.868 -27.618 1.00 89.24 N 22.398 -13.207 -27.736 1.00 89.24 C 21.982 -13.790 -26.597 1.00 89.24 N 24.516 -11.326 -23.947 1.00 90.42 N 25.076 -12.129 -22.855 1.00 90.42 C 26.250 -11.429 -22.153 1.00 90.42 C 26.849 -11.997 -21.239 1.00 90.42 O 25.522 -13.500 -23.390 1.00 90.42 C 24.409 -14.248 -24.135 1.00 90.42 C 24.788 -15.680 -24.497 1.00 90.42 C 23.820 -16.550 -24.675 1.00 90.42 N 25.944 -16.061 -24.599 1.00 90.42 O 26.600 -10.209 -22.572 1.00 93.59 N 27.774 -9.506 -22.068 1.00 93.59 C 29.081 -10.054 -22.635 1.00 93.59 C 30.104 -9.961 -21.962 1.00 93.59 O 29.066 -10.656 -23.829 1.00 94.96 N 30.260 -11.142 -24.531 1.00 94.96 C 30.672 -10.191 -25.640 1.00 94.96 C 29.829 -9.524 -26.229 1.00 94.96 O 30.006 -12.531 -25.123 1.00 94.96 C 29.796 -13.607 -24.058 1.00 94.96 C 29.422 -14.938 -24.719 1.00 94.96 C 29.484 -16.056 -23.755 1.00 94.96 N 30.586 -16.694 -23.386 1.00 94.96 C 31.752 -16.413 -23.874 1.00 94.96 N1+ 30.579 -17.643 -22.499 1.00 94.96 N 31.957 -10.156 -25.968 1.00 96.21 N 32.412 -9.397 -27.131 1.00 96.21 C 31.822 -9.923 -28.448 1.00 96.21 C 31.885 -11.121 -28.734 1.00 96.21 O 33.934 -9.408 -27.208 1.00 96.21 C 34.601 -8.529 -26.177 1.00 96.21 C 34.468 -7.127 -26.250 1.00 96.21 C 35.369 -9.120 -25.159 1.00 96.21 C 35.137 -6.312 -25.320 1.00 96.21 C 36.067 -8.309 -24.254 1.00 96.21 C 35.957 -6.909 -24.343 1.00 96.21 C 36.684 -6.146 -23.504 1.00 96.21 O 31.333 -9.013 -29.290 1.00 93.38 N 30.908 -9.309 -30.658 1.00 93.38 C 32.122 -9.337 -31.591 1.00 93.38 C 32.628 -8.304 -32.032 1.00 93.38 O 29.853 -8.297 -31.124 1.00 93.38 C 28.534 -8.487 -30.369 1.00 93.38 C 27.378 -7.828 -31.104 1.00 93.38 C 27.013 -6.609 -30.797 1.00 93.38 N 26.797 -8.419 -31.995 1.00 93.38 O 32.625 -10.540 -31.884 1.00 92.69 N 33.866 -10.717 -32.648 1.00 92.69 C 33.811 -10.092 -34.050 1.00 92.69 C 34.835 -9.624 -34.538 1.00 92.69 O 34.195 -12.216 -32.774 1.00 92.69 C 34.524 -12.945 -31.460 1.00 92.69 C 34.819 -14.411 -31.779 1.00 92.69 C 35.750 -12.356 -30.758 1.00 92.69 C 32.648 -10.087 -34.701 1.00 90.19 N 32.435 -9.502 -36.028 1.00 90.19 C 32.507 -7.967 -36.033 1.00 90.19 C 32.921 -7.403 -37.043 1.00 90.19 O 31.086 -9.990 -36.599 1.00 90.19 C 29.888 -9.613 -35.737 1.00 90.19 C 28.753 -9.312 -36.317 1.00 90.19 N 29.961 -9.617 -34.521 1.00 90.19 O 32.156 -7.313 -34.925 1.00 90.28 N 32.218 -5.853 -34.779 1.00 90.28 C 33.621 -5.377 -34.378 1.00 90.28 C 34.033 -4.281 -34.742 1.00 90.28 O 31.166 -5.393 -33.759 1.00 90.28 C 29.731 -5.668 -34.247 1.00 90.28 C 28.653 -5.180 -33.266 1.00 90.28 C 27.470 -5.526 -33.475 1.00 90.28 O 29.007 -4.512 -32.270 1.00 90.28 O1- 34.396 -6.225 -33.694 1.00 91.25 N 35.760 -5.903 -33.280 1.00 91.25 C 36.774 -5.918 -34.439 1.00 91.25 C 36.674 -6.763 -35.334 1.00 91.25 O 36.208 -6.871 -32.180 1.00 91.25 C 35.539 -6.632 -30.817 1.00 91.25 C 36.024 -7.727 -29.882 1.00 91.25 C 35.934 -5.295 -30.182 1.00 91.25 C 37.832 -5.088 -34.387 1.00 88.95 N 38.955 -5.165 -35.322 1.00 88.95 C 39.723 -6.487 -35.242 1.00 88.95 C 39.864 -7.092 -34.179 1.00 88.95 O 39.842 -3.957 -35.009 1.00 88.95 C 38.791 -2.963 -34.519 1.00 88.95 C 37.916 -3.845 -33.637 1.00 88.95 C 40.255 -6.936 -36.383 1.00 86.43 N 40.912 -8.243 -36.526 1.00 86.43 C 42.079 -8.448 -35.540 1.00 86.43 C 42.280 -9.558 -35.050 1.00 86.43 O 41.393 -8.373 -37.982 1.00 86.43 C 41.849 -9.790 -38.374 1.00 86.43 C 40.715 -10.799 -38.558 1.00 86.43 C 41.033 -12.060 -38.747 1.00 86.43 N 39.530 -10.501 -38.545 1.00 86.43 O 42.804 -7.374 -35.231 1.00 85.87 N 43.940 -7.294 -34.299 1.00 85.87 C 43.627 -7.779 -32.878 1.00 85.87 C 44.499 -8.352 -32.226 1.00 85.87 O 44.356 -5.821 -34.208 1.00 85.87 C 43.171 -5.085 -33.978 1.00 85.87 O 42.393 -7.580 -32.400 1.00 89.07 N 41.983 -7.911 -31.023 1.00 89.07 C 41.098 -9.149 -30.939 1.00 89.07 C 40.934 -9.711 -29.859 1.00 89.07 O 41.329 -6.711 -30.313 1.00 89.07 C 42.339 -5.573 -30.179 1.00 89.07 C 40.077 -6.190 -31.026 1.00 89.07 C 40.562 -9.639 -32.065 1.00 90.03 N 39.698 -10.835 -32.084 1.00 90.03 C 40.379 -12.063 -31.486 1.00 90.03 C 39.705 -12.865 -30.855 1.00 90.03 O 39.252 -11.162 -33.516 1.00 90.03 C 38.231 -10.160 -34.060 1.00 90.03 C 37.893 -10.479 -35.521 1.00 90.03 C 37.162 -9.363 -36.128 1.00 90.03 N 36.556 -9.315 -37.293 1.00 90.03 C 36.772 -10.191 -38.230 1.00 90.03 N1+ 35.733 -8.340 -37.530 1.00 90.03 N 41.687 -12.233 -31.686 1.00 85.68 N 42.420 -13.404 -31.189 1.00 85.68 C 42.509 -13.448 -29.664 1.00 85.68 C 42.402 -14.529 -29.095 1.00 85.68 O 43.827 -13.448 -31.792 1.00 85.68 C 44.500 -12.231 -31.535 1.00 85.68 O 42.653 -12.295 -29.002 1.00 89.33 N 42.818 -12.227 -27.543 1.00 89.33 C 41.484 -12.318 -26.794 1.00 89.33 C 41.446 -12.806 -25.671 1.00 89.33 O 43.628 -10.980 -27.119 1.00 89.33 C 42.926 -9.659 -27.493 1.00 89.33 C 45.041 -11.028 -27.728 1.00 89.33 C 43.511 -8.411 -26.839 1.00 89.33 C 40.377 -11.882 -27.405 1.00 92.20 N 39.061 -11.874 -26.742 1.00 92.20 C 38.159 -13.043 -27.130 1.00 92.20 C 36.980 -13.028 -26.787 1.00 92.20 O 38.327 -10.533 -26.880 1.00 92.20 C 39.142 -9.343 -26.368 1.00 92.20 C 37.870 -10.258 -28.310 1.00 92.20 C 38.674 -14.057 -27.831 1.00 93.17 N 37.943 -15.314 -28.052 1.00 93.17 C 37.810 -16.100 -26.756 1.00 93.17 C 38.740 -16.141 -25.948 1.00 93.17 O 38.628 -16.161 -29.128 1.00 93.17 C 38.119 -15.760 -30.513 1.00 93.17 C 38.959 -16.436 -31.592 1.00 93.17 C 38.581 -15.956 -32.933 1.00 93.17 N 38.703 -16.625 -34.063 1.00 93.17 C 39.203 -17.829 -34.101 1.00 93.17 N1+ 38.325 -16.090 -35.191 1.00 93.17 N 36.641 -16.699 -26.570 1.00 89.26 N 36.374 -17.611 -25.465 1.00 89.26 C 37.161 -18.918 -25.658 1.00 89.26 C 37.218 -19.456 -26.763 1.00 89.26 O 34.860 -17.826 -25.371 1.00 89.26 C 34.454 -18.560 -24.099 1.00 89.26 C 34.630 -19.792 -24.049 1.00 89.26 O 33.921 -17.875 -23.193 1.00 89.26 O1- 37.800 -19.411 -24.596 1.00 85.52 N 38.597 -20.647 -24.637 1.00 85.52 C 37.740 -21.904 -24.819 1.00 85.52 C 38.199 -22.873 -25.421 1.00 85.52 O 39.411 -20.775 -23.339 1.00 85.52 C 40.782 -20.104 -23.458 1.00 85.52 C 41.462 -19.922 -22.093 1.00 85.52 C 42.176 -18.902 -21.955 1.00 85.52 O 41.213 -20.736 -21.182 1.00 85.52 O1- 36.502 -21.895 -24.317 1.00 85.69 N 35.573 -23.016 -24.439 1.00 85.69 C 34.847 -23.052 -25.784 1.00 85.69 C 34.432 -24.122 -26.225 1.00 85.69 O 34.698 -21.903 -26.446 1.00 87.29 N 34.057 -21.785 -27.756 1.00 87.29 C 34.663 -20.631 -28.570 1.00 87.29 C 34.233 -19.480 -28.482 1.00 87.29 O 32.540 -21.624 -27.558 1.00 87.29 C 31.737 -21.636 -28.862 1.00 87.29 C 32.341 -21.588 -29.963 1.00 87.29 O 30.484 -21.652 -28.743 1.00 87.29 O1- 35.634 -20.955 -29.432 1.00 86.85 N 36.366 -19.986 -30.262 1.00 86.85 C 35.486 -19.211 -31.261 1.00 86.85 C 35.974 -18.264 -31.888 1.00 86.85 O 37.481 -20.719 -31.033 1.00 86.85 C 38.598 -21.329 -30.168 1.00 86.85 C 39.542 -22.123 -31.074 1.00 86.85 C 39.427 -20.259 -29.457 1.00 86.85 C 34.223 -19.609 -31.449 1.00 87.40 N 33.255 -18.862 -32.267 1.00 87.40 C 32.658 -17.668 -31.519 1.00 87.40 C 32.097 -16.771 -32.148 1.00 87.40 O 32.132 -19.760 -32.809 1.00 87.40 C 32.656 -21.015 -33.507 1.00 87.40 C 31.222 -20.150 -31.810 1.00 87.40 O 32.817 -17.619 -30.190 1.00 90.06 N 32.268 -16.591 -29.304 1.00 90.06 C 33.365 -15.711 -28.714 1.00 90.06 C 34.505 -16.129 -28.513 1.00 90.06 O 31.447 -17.260 -28.191 1.00 90.06 C 30.214 -17.977 -28.754 1.00 90.06 C 29.429 -18.656 -27.631 1.00 90.06 C 28.220 -19.376 -28.235 1.00 90.06 C 28.117 -20.752 -27.714 1.00 90.06 N1+ 33.004 -14.469 -28.403 1.00 93.64 N 33.834 -13.607 -27.569 1.00 93.64 C 33.707 -13.959 -26.086 1.00 93.64 C 32.700 -14.528 -25.654 1.00 93.64 O 34.712 -13.597 -25.289 1.00 95.25 N 34.696 -13.710 -23.824 1.00 95.25 C 33.664 -12.786 -23.198 1.00 95.25 C 33.356 -11.728 -23.750 1.00 95.25 O 36.068 -13.365 -23.236 1.00 95.25 C 37.103 -14.432 -23.561 1.00 95.25 C 38.449 -14.096 -22.927 1.00 95.25 C 39.424 -15.132 -23.283 1.00 95.25 N 39.947 -16.061 -22.508 1.00 95.25 C 39.593 -16.278 -21.273 1.00 95.25 N1+ 40.891 -16.793 -22.999 1.00 95.25 N 33.184 -13.165 -22.015 1.00 94.64 N 32.351 -12.301 -21.182 1.00 94.64 C 33.169 -11.129 -20.628 1.00 94.64 C 34.243 -11.323 -20.062 1.00 94.64 O 31.714 -13.104 -20.043 1.00 94.64 C 30.618 -14.049 -20.558 1.00 94.64 C 29.881 -14.764 -19.432 1.00 94.64 C 28.718 -15.316 -19.695 1.00 94.64 N 30.311 -14.829 -18.297 1.00 94.64 O 32.658 -9.906 -20.764 1.00 95.55 N 33.392 -8.675 -20.421 1.00 95.55 C 33.600 -8.482 -18.917 1.00 95.55 C 34.563 -7.838 -18.511 1.00 95.55 O 32.724 -7.431 -21.033 1.00 95.55 C 32.616 -7.536 -22.558 1.00 95.55 C 31.342 -7.117 -20.446 1.00 95.55 C 32.714 -9.057 -18.095 1.00 93.82 N 32.785 -9.011 -16.631 1.00 93.82 C 33.584 -10.169 -16.012 1.00 93.82 C 33.731 -10.212 -14.791 1.00 93.82 O 31.363 -8.949 -16.041 1.00 93.82 C 30.598 -7.636 -16.280 1.00 93.82 C 29.236 -7.743 -15.592 1.00 93.82 C 31.348 -6.421 -15.727 1.00 93.82 C 34.095 -11.103 -16.818 1.00 91.42 N 34.995 -12.139 -16.315 1.00 91.42 C 36.323 -11.498 -15.876 1.00 91.42 C 36.932 -10.706 -16.606 1.00 91.42 O 35.181 -13.238 -17.372 1.00 91.42 C 35.894 -14.489 -16.846 1.00 91.42 C 36.658 -14.371 -15.859 1.00 91.42 O 35.681 -15.555 -17.454 1.00 91.42 O1- 36.786 -11.850 -14.676 1.00 88.79 N 38.066 -11.395 -14.155 1.00 88.79 C 39.226 -11.779 -15.089 1.00 88.79 C 40.183 -11.014 -15.220 1.00 88.79 O 38.256 -11.991 -12.755 1.00 88.79 C 39.139 -12.924 -15.769 1.00 91.73 N 40.160 -13.365 -16.718 1.00 91.73 C 40.191 -12.495 -17.981 1.00 91.73 C 41.264 -12.173 -18.489 1.00 91.73 O 39.937 -14.851 -17.046 1.00 91.73 C 41.185 -15.515 -17.644 1.00 91.73 C 42.423 -15.370 -16.737 1.00 91.73 C 43.528 -15.188 -17.285 1.00 91.73 O 42.280 -15.328 -15.481 1.00 91.73 O1- 39.035 -12.005 -18.440 1.00 94.27 N 38.965 -11.058 -19.564 1.00 94.27 C 39.723 -9.772 -19.256 1.00 94.27 C 40.488 -9.289 -20.094 1.00 94.27 O 37.511 -10.719 -19.907 1.00 94.27 C 37.387 -9.749 -21.079 1.00 94.27 C 36.855 -11.892 -20.304 1.00 94.27 O 39.558 -9.227 -18.047 1.00 93.54 N 40.318 -8.057 -17.622 1.00 93.54 C 41.826 -8.351 -17.615 1.00 93.54 C 42.595 -7.564 -18.165 1.00 93.54 O 39.804 -7.591 -16.256 1.00 93.54 C 42.257 -9.497 -17.070 1.00 93.89 N 43.678 -9.883 -17.055 1.00 93.89 C 44.272 -9.997 -18.454 1.00 93.89 C 45.344 -9.454 -18.679 1.00 93.89 O 43.884 -11.216 -16.340 1.00 93.89 C 43.616 -11.151 -14.834 1.00 93.89 C 43.919 -12.537 -14.264 1.00 93.89 C 43.070 -12.873 -13.044 1.00 93.89 C 42.944 -14.347 -12.967 1.00 93.89 N1+ 43.576 -10.623 -19.401 1.00 93.91 N 44.065 -10.780 -20.780 1.00 93.91 C 44.281 -9.425 -21.455 1.00 93.91 C 45.304 -9.210 -22.109 1.00 93.91 O 43.083 -11.658 -21.578 1.00 93.91 C 43.210 -13.110 -21.075 1.00 93.91 C 43.360 -11.585 -23.092 1.00 93.91 C 42.060 -13.998 -21.533 1.00 93.91 C 43.349 -8.488 -21.268 1.00 95.18 N 43.493 -7.127 -21.797 1.00 95.18 C 44.707 -6.439 -21.168 1.00 95.18 C 45.493 -5.814 -21.878 1.00 95.18 O 42.188 -6.334 -21.584 1.00 95.18 C 41.092 -6.953 -22.479 1.00 95.18 C 42.381 -4.839 -21.905 1.00 95.18 C 39.696 -6.408 -22.197 1.00 95.18 C 44.902 -6.589 -19.857 1.00 95.94 N 46.058 -6.027 -19.156 1.00 95.94 C 47.380 -6.667 -19.597 1.00 95.94 C 48.347 -5.939 -19.811 1.00 95.94 O 45.854 -6.146 -17.639 1.00 95.94 C 44.668 -5.329 -17.103 1.00 95.94 C 44.452 -5.649 -15.628 1.00 95.94 C 44.854 -3.823 -17.238 1.00 95.94 C 47.423 -7.984 -19.809 1.00 95.48 N 48.580 -8.678 -20.377 1.00 95.48 C 48.916 -8.123 -21.760 1.00 95.48 C 50.055 -7.731 -21.993 1.00 95.48 O 48.308 -10.187 -20.443 1.00 95.48 C 48.425 -10.915 -18.786 1.00 95.48 S 47.921 -7.961 -22.643 1.00 94.74 N 48.156 -7.378 -23.969 1.00 94.74 C 48.683 -5.944 -23.891 1.00 94.74 C 49.573 -5.572 -24.652 1.00 94.74 O 46.871 -7.446 -24.808 1.00 94.74 C 47.088 -6.937 -26.244 1.00 94.74 C 48.098 -7.801 -27.008 1.00 94.74 C 48.204 -7.343 -28.460 1.00 94.74 C 49.255 -8.117 -29.161 1.00 94.74 N1+ 48.144 -5.131 -22.983 1.00 95.77 N 48.648 -3.779 -22.739 1.00 95.77 C 50.089 -3.802 -22.217 1.00 95.77 C 50.875 -2.940 -22.600 1.00 95.77 O 47.727 -3.057 -21.744 1.00 95.77 C 46.362 -2.656 -22.321 1.00 95.77 C 45.447 -2.226 -21.179 1.00 95.77 C 46.495 -1.499 -23.313 1.00 95.77 C 50.449 -4.774 -21.378 1.00 96.10 N 51.821 -4.970 -20.901 1.00 96.10 C 52.767 -5.372 -22.037 1.00 96.10 C 53.836 -4.781 -22.157 1.00 96.10 O 51.844 -6.017 -19.786 1.00 96.10 C 53.105 -6.020 -19.153 1.00 96.10 O 52.362 -6.299 -22.912 1.00 94.76 N 53.153 -6.734 -24.077 1.00 94.76 C 53.441 -5.578 -25.045 1.00 94.76 C 54.501 -5.511 -25.665 1.00 94.76 O 52.394 -7.816 -24.863 1.00 94.76 C 52.183 -9.138 -24.127 1.00 94.76 C 52.908 -9.401 -23.143 1.00 94.76 O 51.294 -9.881 -24.605 1.00 94.76 O1- 52.494 -4.643 -25.165 1.00 93.83 N 52.630 -3.423 -25.963 1.00 93.83 C 53.349 -2.285 -25.213 1.00 93.83 C 53.482 -1.189 -25.756 1.00 93.83 O 51.235 -2.996 -26.453 1.00 93.83 C 50.549 -3.977 -27.421 1.00 93.83 C 49.124 -3.491 -27.689 1.00 93.83 C 51.285 -4.084 -28.759 1.00 93.83 C 53.795 -2.518 -23.973 1.00 94.58 N 54.385 -1.520 -23.077 1.00 94.58 C 53.484 -0.283 -22.844 1.00 94.58 C 53.958 0.845 -22.696 1.00 94.58 O 55.811 -1.197 -23.558 1.00 94.58 C 56.613 -0.415 -22.535 1.00 94.58 C 57.507 0.438 -22.976 1.00 94.58 N 56.458 -0.543 -21.333 1.00 94.58 O 52.165 -0.490 -22.824 1.00 96.11 N 51.138 0.533 -22.599 1.00 96.11 C 50.587 0.512 -21.170 1.00 96.11 C 50.048 1.515 -20.707 1.00 96.11 O 49.982 0.339 -23.595 1.00 96.11 C 50.390 0.378 -25.074 1.00 96.11 C 49.176 0.059 -25.943 1.00 96.11 C 50.984 1.721 -25.501 1.00 96.11 C 50.698 -0.607 -20.453 1.00 96.51 N 50.259 -0.694 -19.061 1.00 96.51 C 51.268 0.012 -18.144 1.00 96.51 C 52.421 -0.397 -18.070 1.00 96.51 O 50.063 -2.173 -18.683 1.00 96.51 C 49.496 -2.388 -17.268 1.00 96.51 C 48.092 -1.797 -17.112 1.00 96.51 C 49.415 -3.882 -16.968 1.00 96.51 C 50.835 1.053 -17.427 1.00 93.68 N 51.675 1.717 -16.423 1.00 93.68 C 51.627 0.977 -15.082 1.00 93.68 C 52.660 0.625 -14.523 1.00 93.68 O 51.246 3.182 -16.281 1.00 93.68 C 51.995 3.941 -15.201 1.00 93.68 C 51.366 4.246 -13.978 1.00 93.68 C 53.334 4.321 -15.414 1.00 93.68 C 52.078 4.905 -12.960 1.00 93.68 C 54.050 4.984 -14.400 1.00 93.68 C 53.422 5.269 -13.169 1.00 93.68 C 54.092 5.894 -12.173 1.00 93.68 O 50.416 0.722 -14.569 1.00 92.79 N 50.172 -0.131 -13.394 1.00 92.79 C 48.719 -0.599 -13.349 1.00 92.79 C 47.834 0.082 -13.869 1.00 92.79 O 50.583 0.591 -12.085 1.00 92.79 C 49.655 1.736 -11.642 1.00 92.79 C 50.209 2.497 -10.425 1.00 92.79 C 49.258 3.627 -9.997 1.00 92.79 C 49.749 4.368 -8.806 1.00 92.79 N1+ 48.455 -1.702 -12.657 1.00 94.15 N 47.105 -2.191 -12.337 1.00 94.15 C 46.982 -2.530 -10.853 1.00 94.15 C 47.975 -2.888 -10.225 1.00 94.15 O 46.741 -3.407 -13.194 1.00 94.15 C 47.693 -4.441 -13.031 1.00 94.15 O 45.781 -2.421 -10.286 1.00 93.16 N 45.504 -2.730 -8.880 1.00 93.16 C 44.046 -3.164 -8.672 1.00 93.16 C 43.177 -2.879 -9.495 1.00 93.16 O 45.840 -1.521 -7.989 1.00 93.16 C 45.020 -0.287 -8.272 1.00 93.16 C 44.066 0.279 -7.466 1.00 93.16 C 45.114 0.494 -9.399 1.00 93.16 N 44.253 1.512 -9.268 1.00 93.16 C 43.590 1.428 -8.110 1.00 93.16 N 43.776 -3.843 -7.556 1.00 94.60 N 42.408 -4.115 -7.107 1.00 94.60 C 41.779 -2.828 -6.555 1.00 94.60 C 42.395 -2.112 -5.765 1.00 94.60 O 42.408 -5.256 -6.070 1.00 94.60 C 40.987 -5.695 -5.677 1.00 94.60 C 40.973 -6.921 -4.744 1.00 94.60 C 40.607 -6.784 -3.550 1.00 94.60 O 41.224 -8.046 -5.224 1.00 94.60 O1- 40.550 -2.537 -6.972 1.00 91.85 N 39.796 -1.354 -6.578 1.00 91.85 C 38.430 -1.772 -6.032 1.00 91.85 C 37.628 -2.376 -6.746 1.00 91.85 O 39.687 -0.412 -7.783 1.00 91.85 C 38.964 0.886 -7.487 1.00 91.85 C 37.790 1.226 -8.188 1.00 91.85 C 39.464 1.750 -6.493 1.00 91.85 C 37.124 2.434 -7.902 1.00 91.85 C 38.783 2.942 -6.182 1.00 91.85 C 37.613 3.286 -6.891 1.00 91.85 C 36.954 4.437 -6.599 1.00 91.85 O 38.179 -1.477 -4.753 1.00 94.60 N 36.892 -1.752 -4.096 1.00 94.60 C 36.039 -0.490 -4.095 1.00 94.60 C 36.503 0.558 -3.649 1.00 94.60 O 37.070 -2.292 -2.672 1.00 94.60 C 35.739 -2.671 -2.022 1.00 94.60 C 37.844 -3.472 -2.710 1.00 94.60 O 34.813 -0.582 -4.607 1.00 93.35 N 33.904 0.557 -4.758 1.00 93.35 C 32.439 0.122 -4.850 1.00 93.35 C 32.141 -1.061 -5.023 1.00 93.35 O 34.313 1.391 -5.989 1.00 93.35 C 34.071 0.761 -7.344 1.00 93.35 C 34.400 -0.505 -7.736 1.00 93.35 C 33.545 1.441 -8.444 1.00 93.35 N 33.544 0.567 -9.456 1.00 93.35 C 34.056 -0.611 -9.064 1.00 93.35 N 31.529 1.094 -4.760 1.00 93.47 N 30.098 0.874 -4.970 1.00 93.47 C 29.802 0.633 -6.450 1.00 93.47 C 30.098 1.480 -7.294 1.00 93.47 O 29.281 2.047 -4.423 1.00 93.47 C 27.919 1.681 -4.318 1.00 93.47 O 29.213 -0.519 -6.775 1.00 94.62 N 28.905 -0.903 -8.156 1.00 94.62 C 27.449 -1.365 -8.306 1.00 94.62 C 26.931 -2.025 -7.397 1.00 94.62 O 29.886 -1.986 -8.617 1.00 94.62 C 29.964 -2.159 -10.119 1.00 94.62 C 29.201 -3.140 -10.780 1.00 94.62 C 30.780 -1.289 -10.864 1.00 94.62 C 29.273 -3.258 -12.182 1.00 94.62 C 30.861 -1.408 -12.263 1.00 94.62 C 30.109 -2.400 -12.926 1.00 94.62 C 30.196 -2.513 -14.278 1.00 94.62 O 26.777 -1.057 -9.434 1.00 94.12 N 25.399 -1.467 -9.664 1.00 94.12 C 25.286 -2.967 -9.958 1.00 94.12 C 26.016 -3.547 -10.765 1.00 94.12 O 24.903 -0.608 -10.829 1.00 94.12 C 26.178 -0.346 -11.628 1.00 94.12 C 27.231 -0.212 -10.534 1.00 94.12 C 24.327 -3.598 -9.297 1.00 94.18 N 23.953 -4.993 -9.453 1.00 94.18 C 22.486 -5.082 -9.858 1.00 94.18 C 21.646 -4.279 -9.447 1.00 94.18 O 24.199 -5.774 -8.151 1.00 94.18 C 25.626 -6.229 -7.906 1.00 94.18 C 25.868 -7.577 -7.599 1.00 94.18 C 26.706 -5.329 -7.928 1.00 94.18 C 27.167 -8.036 -7.336 1.00 94.18 C 28.012 -5.772 -7.667 1.00 94.18 C 28.240 -7.127 -7.358 1.00 94.18 C 29.477 -7.569 -7.022 1.00 94.18 O 22.167 -6.112 -10.629 1.00 89.26 N 20.791 -6.478 -10.922 1.00 89.26 C 20.148 -6.997 -9.628 1.00 89.26 C 20.593 -7.981 -9.024 1.00 89.26 O 20.807 -7.491 -12.071 1.00 89.26 C 19.465 -8.142 -12.430 1.00 89.26 C 18.537 -8.176 -11.589 1.00 89.26 O 19.402 -8.732 -13.531 1.00 89.26 O1- 19.076 -6.331 -9.199 1.00 78.51 N 18.351 -6.645 -7.970 1.00 78.51 C 17.794 -8.076 -7.896 1.00 78.51 C 17.452 -8.539 -6.803 1.00 78.51 O 17.198 -5.650 -7.820 1.00 78.51 C 16.025 -5.833 -8.746 1.00 78.51 C 16.070 -6.042 -10.085 1.00 78.51 C 14.608 -5.714 -8.424 1.00 78.51 C 13.853 -5.845 -9.629 1.00 78.51 C 13.887 -5.443 -7.240 1.00 78.51 C 14.794 -6.033 -10.611 1.00 78.51 N 12.459 -5.704 -9.664 1.00 78.51 C 12.489 -5.266 -7.268 1.00 78.51 C 11.779 -5.376 -8.479 1.00 78.51 C 17.672 -8.794 -9.019 1.00 76.37 N 17.177 -10.177 -9.071 1.00 76.37 C 18.295 -11.187 -9.171 1.00 76.37 C 18.341 -12.084 -8.332 1.00 76.37 O 16.181 -10.369 -10.227 1.00 76.37 C 14.904 -9.537 -10.091 1.00 76.37 C 14.213 -9.755 -8.743 1.00 76.37 C 12.974 -8.974 -8.632 1.00 76.37 N 12.212 -8.901 -7.560 1.00 76.37 C 12.498 -9.562 -6.472 1.00 76.37 N1+ 11.153 -8.147 -7.553 1.00 76.37 N 19.172 -11.058 -10.162 1.00 84.68 N 20.272 -12.017 -10.319 1.00 84.68 C 21.336 -11.858 -9.232 1.00 84.68 C 22.087 -12.796 -8.975 1.00 84.68 O 20.891 -11.923 -11.714 1.00 84.68 C 21.523 -10.677 -11.873 1.00 84.68 O 21.381 -10.694 -8.562 1.00 87.07 N 22.424 -10.322 -7.596 1.00 87.07 C 23.822 -10.414 -8.213 1.00 87.07 C 24.795 -10.740 -7.532 1.00 87.07 O 22.290 -11.118 -6.281 1.00 87.07 C 20.904 -11.075 -5.622 1.00 87.07 C 20.428 -9.645 -5.343 1.00 87.07 C 19.198 -9.673 -4.437 1.00 87.07 C 18.622 -8.319 -4.307 1.00 87.07 N1+ 23.922 -10.115 -9.510 1.00 92.53 N 25.172 -10.053 -10.270 1.00 92.53 C 25.426 -8.630 -10.783 1.00 92.53 C 24.462 -7.874 -10.927 1.00 92.53 O 25.136 -11.078 -11.417 1.00 92.53 C 25.089 -12.537 -10.937 1.00 92.53 C 26.349 -12.988 -10.194 1.00 92.53 C 26.239 -14.493 -9.938 1.00 92.53 C 27.529 -15.061 -9.480 1.00 92.53 N1+ 26.695 -8.257 -11.032 1.00 94.70 N 27.031 -6.943 -11.572 1.00 94.70 C 26.385 -6.729 -12.946 1.00 94.70 C 26.273 -7.672 -13.731 1.00 94.70 O 28.561 -6.886 -11.656 1.00 94.70 C 29.056 -8.075 -10.838 1.00 94.70 C 27.898 -9.063 -10.875 1.00 94.70 C 25.971 -5.497 -13.237 1.00 95.48 N 25.445 -5.111 -14.560 1.00 95.48 C 26.534 -4.453 -15.396 1.00 95.48 C 27.516 -3.959 -14.853 1.00 95.48 O 24.200 -4.208 -14.459 1.00 95.48 C 23.111 -4.893 -13.635 1.00 95.48 C 24.474 -2.833 -13.846 1.00 95.48 C 26.349 -4.392 -16.713 1.00 95.85 N 27.166 -3.528 -17.576 1.00 95.85 C 26.354 -2.330 -18.038 1.00 95.85 C 25.125 -2.365 -18.045 1.00 95.85 O 27.797 -4.290 -18.760 1.00 95.85 C 26.745 -4.847 -19.741 1.00 95.85 C 28.720 -5.385 -18.217 1.00 95.85 C 27.351 -5.561 -20.953 1.00 95.85 C 27.045 -1.284 -18.472 1.00 95.09 N 26.439 -0.234 -19.280 1.00 95.09 C 26.809 -0.523 -20.731 1.00 95.09 C 27.988 -0.669 -21.070 1.00 95.09 O 26.869 1.158 -18.788 1.00 95.09 C 26.366 1.407 -17.349 1.00 95.09 C 26.320 2.223 -19.745 1.00 95.09 C 26.873 2.722 -16.744 1.00 95.09 C 25.803 -0.633 -21.597 1.00 93.74 N 26.040 -0.779 -23.033 1.00 93.74 C 24.999 -0.053 -23.862 1.00 93.74 C 23.836 0.014 -23.463 1.00 93.74 O 26.177 -2.251 -23.425 1.00 93.74 C 24.850 -3.004 -23.536 1.00 93.74 C 25.164 -4.392 -24.090 1.00 93.74 C 24.196 -4.772 -25.130 1.00 93.74 N 23.395 -5.802 -25.056 1.00 93.74 C 23.599 -6.680 -24.137 1.00 93.74 N1+ 22.382 -5.951 -25.859 1.00 93.74 N 25.413 0.467 -25.009 1.00 92.59 N 24.506 1.050 -25.972 1.00 92.59 C 23.732 -0.055 -26.675 1.00 92.59 C 24.281 -1.063 -27.118 1.00 92.59 O 25.230 1.999 -26.925 1.00 92.59 C 22.423 0.118 -26.714 1.00 87.32 N 21.527 -0.754 -27.457 1.00 87.32 C 20.368 0.091 -27.974 1.00 87.32 C 19.942 1.021 -27.279 1.00 87.32 O 21.080 -1.957 -26.604 1.00 87.32 C 20.705 -1.615 -25.163 1.00 87.32 C 19.985 -2.648 -27.164 1.00 87.32 O 19.839 -0.205 -29.175 1.00 88.23 N 18.606 0.405 -29.647 1.00 88.23 C 17.458 0.084 -28.684 1.00 88.23 C 17.038 -1.066 -28.571 1.00 88.23 O 18.377 -0.152 -31.060 1.00 88.23 C 19.778 -0.554 -31.518 1.00 88.23 C 20.431 -1.027 -30.224 1.00 88.23 C 16.959 1.096 -27.978 1.00 91.32 N 15.886 0.974 -26.989 1.00 91.32 C 14.837 2.065 -27.201 1.00 91.32 C 15.088 3.083 -27.850 1.00 91.32 O 16.458 1.036 -25.560 1.00 91.32 C 17.384 -0.134 -25.209 1.00 91.32 C 16.707 -1.497 -25.191 1.00 91.32 C 17.359 -2.534 -25.660 1.00 91.32 N 15.587 -1.669 -24.730 1.00 91.32 O 13.652 1.845 -26.645 1.00 93.13 N 12.565 2.809 -26.633 1.00 93.13 C 12.626 3.652 -25.366 1.00 93.13 C 12.659 3.130 -24.248 1.00 93.13 O 11.230 2.082 -26.773 1.00 93.13 C 11.039 1.438 -28.110 1.00 93.13 C 11.346 0.165 -28.454 1.00 93.13 C 10.547 2.072 -29.324 1.00 93.13 C 10.551 1.103 -30.370 1.00 93.13 C 10.127 3.380 -29.644 1.00 93.13 C 11.060 -0.041 -29.789 1.00 93.13 N 10.125 1.410 -31.666 1.00 93.13 C 9.712 3.703 -30.948 1.00 93.13 C 9.695 2.719 -31.953 1.00 93.13 C 12.599 4.965 -25.551 1.00 92.90 N 12.614 5.948 -24.483 1.00 92.90 C 11.370 6.828 -24.556 1.00 92.90 C 10.961 7.250 -25.638 1.00 92.90 O 13.898 6.785 -24.537 1.00 92.90 C 15.163 5.980 -24.308 1.00 92.90 C 15.721 5.879 -23.020 1.00 92.90 C 15.785 5.335 -25.391 1.00 92.90 C 16.894 5.128 -22.816 1.00 92.90 C 16.959 4.592 -25.189 1.00 92.90 C 17.507 4.479 -23.901 1.00 92.90 C 10.800 7.126 -23.393 1.00 93.29 N 9.918 8.266 -23.222 1.00 93.29 C 10.765 9.496 -22.861 1.00 93.29 C 11.458 9.505 -21.839 1.00 93.29 O 8.843 7.935 -22.181 1.00 93.29 C 10.711 10.511 -23.714 1.00 92.02 N 11.291 11.831 -23.516 1.00 92.02 C 10.482 12.577 -22.452 1.00 92.02 C 9.263 12.740 -22.563 1.00 92.02 O 11.306 12.580 -24.857 1.00 92.02 C 12.121 13.876 -24.831 1.00 92.02 C 12.369 14.409 -23.722 1.00 92.02 O 12.496 14.300 -25.954 1.00 92.02 O1- 11.161 12.984 -21.381 1.00 89.01 N 10.540 13.665 -20.253 1.00 89.01 C 10.910 15.147 -20.200 1.00 89.01 C 10.530 15.805 -19.231 1.00 89.01 O 10.877 12.944 -18.934 1.00 89.01 C 10.540 11.445 -18.894 1.00 89.01 C 10.972 10.888 -17.536 1.00 89.01 C 9.045 11.180 -19.083 1.00 89.01 C 11.639 15.690 -21.182 1.00 84.87 N 12.142 17.060 -21.097 1.00 84.87 C 11.001 18.078 -20.966 1.00 84.87 C 10.968 18.838 -19.994 1.00 84.87 O 13.054 17.372 -22.291 1.00 84.87 C 13.861 18.632 -22.093 1.00 84.87 C 14.442 19.395 -23.070 1.00 84.87 C 14.173 19.219 -20.886 1.00 84.87 N 14.935 20.296 -21.129 1.00 84.87 C 15.136 20.439 -22.444 1.00 84.87 N 10.010 17.988 -21.854 1.00 79.81 N 8.820 18.848 -21.838 1.00 79.81 C 7.811 18.434 -20.754 1.00 79.81 C 7.022 19.242 -20.260 1.00 79.81 O 8.165 18.820 -23.227 1.00 79.81 C 9.072 19.373 -24.332 1.00 79.81 C 9.944 20.210 -24.010 1.00 79.81 O 8.872 18.941 -25.486 1.00 79.81 O1- 7.854 17.169 -20.324 1.00 91.59 N 6.966 16.626 -19.285 1.00 91.59 C 7.408 17.064 -17.888 1.00 91.59 C 6.559 17.243 -17.017 1.00 91.59 O 6.881 15.090 -19.376 1.00 91.59 C 5.899 14.494 -18.357 1.00 91.59 C 6.423 14.636 -20.770 1.00 91.59 C 8.711 17.271 -17.648 1.00 91.36 N 9.258 17.631 -16.328 1.00 91.36 C 8.594 18.859 -15.738 1.00 91.36 C 8.191 18.825 -14.579 1.00 91.36 O 10.762 17.922 -16.415 1.00 91.36 C 11.613 16.712 -16.047 1.00 91.36 C 13.074 17.160 -15.941 1.00 91.36 C 13.946 15.918 -15.914 1.00 91.36 C 15.380 16.223 -15.764 1.00 91.36 N1+ 8.494 19.930 -16.519 1.00 92.32 N 7.947 21.193 -16.034 1.00 92.32 C 6.473 21.027 -15.658 1.00 92.32 C 6.081 21.393 -14.553 1.00 92.32 O 8.179 22.279 -17.094 1.00 92.32 C 9.647 22.650 -17.222 1.00 92.32 C 10.047 23.172 -18.355 1.00 92.32 N 10.447 22.469 -16.315 1.00 92.32 O 5.698 20.359 -16.516 1.00 94.22 N 4.296 20.043 -16.245 1.00 94.22 C 4.142 19.131 -15.021 1.00 94.22 C 3.246 19.335 -14.206 1.00 94.22 O 3.682 19.370 -17.482 1.00 94.22 C 3.652 20.225 -18.758 1.00 94.22 C 3.137 19.362 -19.910 1.00 94.22 C 2.734 21.437 -18.607 1.00 94.22 C 5.015 18.136 -14.856 1.00 95.11 N 4.996 17.223 -13.718 1.00 95.11 C 5.339 17.943 -12.403 1.00 95.11 C 4.674 17.712 -11.395 1.00 95.11 O 5.955 16.062 -14.007 1.00 95.11 C 6.334 18.838 -12.411 1.00 95.40 N 6.704 19.670 -11.262 1.00 95.40 C 5.585 20.652 -10.892 1.00 95.40 C 5.264 20.797 -9.712 1.00 95.40 O 8.012 20.422 -11.560 1.00 95.40 C 9.273 19.538 -11.562 1.00 95.40 C 10.471 20.362 -12.035 1.00 95.40 C 9.603 18.979 -10.173 1.00 95.40 C 4.952 21.274 -11.887 1.00 95.59 N 3.776 22.115 -11.673 1.00 95.59 C 2.622 21.300 -11.074 1.00 95.59 C 2.021 21.715 -10.083 1.00 95.59 O 3.360 22.765 -12.999 1.00 95.59 C 2.265 23.813 -12.755 1.00 95.59 C 1.654 24.376 -14.039 1.00 95.59 C 0.544 24.942 -13.895 1.00 95.59 O 2.248 24.208 -15.124 1.00 95.59 O1- 2.368 20.102 -11.604 1.00 95.57 N 1.316 19.200 -11.123 1.00 95.57 C 1.479 18.876 -9.639 1.00 95.57 C 0.538 19.029 -8.864 1.00 95.57 O 1.338 17.875 -11.888 1.00 95.57 C 1.151 18.043 -13.270 1.00 95.57 O 2.678 18.457 -9.215 1.00 95.82 N 2.917 18.063 -7.818 1.00 95.82 C 2.978 19.248 -6.855 1.00 95.82 C 2.830 19.039 -5.655 1.00 95.82 O 4.158 17.167 -7.652 1.00 95.82 C 5.458 17.895 -8.045 1.00 95.82 C 3.946 15.866 -8.436 1.00 95.82 C 6.734 17.090 -7.790 1.00 95.82 C 3.155 20.482 -7.341 1.00 95.59 N 3.091 21.680 -6.488 1.00 95.59 C 1.702 21.896 -5.872 1.00 95.59 C 1.585 22.504 -4.811 1.00 95.59 O 3.532 22.924 -7.267 1.00 95.59 C 2.529 23.387 -8.149 1.00 95.59 O 0.659 21.351 -6.515 1.00 95.45 N -0.744 21.412 -6.077 1.00 95.45 C -1.171 20.180 -5.271 1.00 95.45 C -2.291 20.139 -4.776 1.00 95.45 O -1.647 21.607 -7.307 1.00 95.45 C -1.237 22.805 -8.184 1.00 95.45 C -2.150 22.904 -9.409 1.00 95.45 C -1.625 23.843 -10.422 1.00 95.45 N -2.245 24.206 -11.533 1.00 95.45 C -3.448 23.785 -11.807 1.00 95.45 N1+ -1.696 24.992 -12.410 1.00 95.45 N -0.297 19.179 -5.149 1.00 97.84 N -0.568 17.926 -4.435 1.00 97.84 C -0.197 18.079 -2.965 1.00 97.84 C 0.891 18.549 -2.624 1.00 97.84 O 0.181 16.751 -5.089 1.00 97.84 C 0.106 15.451 -4.281 1.00 97.84 C -0.380 16.473 -6.487 1.00 97.84 C -1.073 17.624 -2.070 1.00 97.84 N -0.776 17.562 -0.636 1.00 97.84 C 0.097 16.341 -0.338 1.00 97.84 C -0.200 15.237 -0.778 1.00 97.84 O -2.100 17.572 0.131 1.00 97.84 C -1.921 17.629 1.654 1.00 97.84 C -3.308 17.711 2.302 1.00 97.84 C -3.268 17.439 3.810 1.00 97.84 C -4.365 16.510 4.168 1.00 97.84 N1+ 1.170 16.517 0.433 1.00 97.90 N 2.056 15.417 0.839 1.00 97.90 C 2.025 15.200 2.351 1.00 97.90 C 2.270 16.129 3.127 1.00 97.90 O 3.492 15.659 0.352 1.00 97.90 C 3.683 15.450 -1.136 1.00 97.90 C 4.183 14.228 -1.628 1.00 97.90 C 3.351 16.477 -2.036 1.00 97.90 C 4.355 14.040 -3.011 1.00 97.90 C 3.510 16.284 -3.416 1.00 97.90 C 4.012 15.069 -3.905 1.00 97.90 C 1.819 13.950 2.768 1.00 95.98 N 1.918 13.516 4.156 1.00 95.98 C 2.914 12.345 4.280 1.00 95.98 C 2.595 11.233 3.862 1.00 95.98 O 0.521 13.155 4.669 1.00 95.98 C 0.634 12.905 6.465 1.00 95.98 S 4.124 12.544 4.840 1.00 95.56 N 4.679 13.792 5.368 1.00 95.56 C 5.162 14.755 4.267 1.00 95.56 C 5.542 14.330 3.177 1.00 95.56 O 5.840 13.335 6.257 1.00 95.56 C 6.348 12.072 5.560 1.00 95.56 C 5.073 11.453 5.007 1.00 95.56 C 5.273 16.054 4.593 1.00 94.53 N 5.698 17.120 3.656 1.00 94.53 C 7.008 16.824 2.910 1.00 94.53 C 7.154 17.209 1.757 1.00 94.53 O 5.833 18.466 4.393 1.00 94.53 C 4.490 19.064 4.844 1.00 94.53 C 4.691 20.473 5.432 1.00 94.53 C 3.347 21.100 5.832 1.00 94.53 C 3.506 22.489 6.344 1.00 94.53 N1+ 7.948 16.097 3.534 1.00 94.15 N 9.222 15.681 2.909 1.00 94.15 C 9.052 14.846 1.629 1.00 94.15 C 9.984 14.789 0.829 1.00 94.15 O 10.118 14.950 3.930 1.00 94.15 C 9.526 13.623 4.441 1.00 94.15 C 10.499 12.874 5.361 1.00 94.15 C 9.953 11.575 5.822 1.00 94.15 N 10.617 10.639 6.487 1.00 94.15 C 11.874 10.784 6.807 1.00 94.15 N1+ 10.044 9.527 6.855 1.00 94.15 N 7.892 14.210 1.430 1.00 95.02 N 7.594 13.449 0.214 1.00 95.02 C 7.646 14.313 -1.050 1.00 95.02 C 8.193 13.876 -2.062 1.00 95.02 O 7.214 15.579 -0.956 1.00 96.31 N 7.289 16.539 -2.060 1.00 96.31 C 8.728 16.737 -2.541 1.00 96.31 C 9.013 16.589 -3.729 1.00 96.31 O 6.712 17.891 -1.622 1.00 96.31 C 6.891 18.972 -2.671 1.00 96.31 C 7.947 19.902 -2.563 1.00 96.31 C 6.025 19.021 -3.778 1.00 96.31 C 8.125 20.887 -3.554 1.00 96.31 C 6.205 20.000 -4.770 1.00 96.31 C 7.250 20.936 -4.662 1.00 96.31 C 7.393 21.894 -5.613 1.00 96.31 O 9.653 17.027 -1.620 1.00 95.19 N 11.063 17.257 -1.952 1.00 95.19 C 11.692 16.028 -2.603 1.00 95.19 C 12.460 16.152 -3.556 1.00 95.19 O 11.864 17.621 -0.697 1.00 95.19 C 11.254 18.706 -0.025 1.00 95.19 O 11.332 14.833 -2.120 1.00 93.16 N 11.852 13.565 -2.632 1.00 93.16 C 11.363 13.283 -4.053 1.00 93.16 C 12.194 13.045 -4.925 1.00 93.16 O 11.508 12.455 -1.629 1.00 93.16 C 12.309 11.178 -1.901 1.00 93.16 C 12.137 10.186 -0.745 1.00 93.16 C 13.028 9.019 -0.892 1.00 93.16 N 13.311 8.121 0.038 1.00 93.16 C 12.809 8.184 1.240 1.00 93.16 N1+ 14.117 7.130 -0.219 1.00 93.16 N 10.053 13.370 -4.304 1.00 94.30 N 9.497 13.181 -5.650 1.00 94.30 C 9.996 14.264 -6.619 1.00 94.30 C 10.412 13.947 -7.729 1.00 94.30 O 7.957 13.146 -5.583 1.00 94.30 C 7.268 12.846 -6.930 1.00 94.30 C 7.700 11.513 -7.541 1.00 94.30 C 5.756 12.784 -6.721 1.00 94.30 C 10.034 15.527 -6.181 1.00 94.73 N 10.539 16.650 -6.983 1.00 94.73 C 11.998 16.460 -7.396 1.00 94.73 C 12.352 16.754 -8.534 1.00 94.73 O 10.451 17.968 -6.208 1.00 94.73 C 9.123 18.300 -5.891 1.00 94.73 O 12.851 15.967 -6.492 1.00 91.93 N 14.262 15.696 -6.787 1.00 91.93 C 14.414 14.625 -7.872 1.00 91.93 C 15.073 14.866 -8.882 1.00 91.93 O 14.991 15.276 -5.510 1.00 91.93 C 16.368 15.149 -5.785 1.00 91.93 O 13.711 13.494 -7.728 1.00 88.53 N 13.707 12.434 -8.743 1.00 88.53 C 13.144 12.904 -10.085 1.00 88.53 C 13.614 12.478 -11.139 1.00 88.53 O 12.895 11.231 -8.243 1.00 88.53 C 13.510 10.475 -7.083 1.00 88.53 C 14.853 10.056 -7.145 1.00 88.53 C 12.724 10.123 -5.971 1.00 88.53 C 15.416 9.324 -6.088 1.00 88.53 C 13.281 9.369 -4.922 1.00 88.53 C 14.632 8.982 -4.973 1.00 88.53 C 12.156 13.802 -10.065 1.00 87.38 N 11.657 14.399 -11.296 1.00 87.38 C 12.680 15.312 -11.963 1.00 87.38 C 12.795 15.297 -13.182 1.00 87.38 O 10.335 15.152 -11.062 1.00 87.38 C 9.124 14.226 -10.899 1.00 87.38 C 9.015 12.833 -12.063 1.00 87.38 S 9.496 13.572 -13.655 1.00 87.38 C 13.454 16.081 -11.195 1.00 88.35 N 14.468 16.990 -11.741 1.00 88.35 C 15.682 16.267 -12.315 1.00 88.35 C 16.245 16.773 -13.281 1.00 88.35 O 14.906 17.988 -10.667 1.00 88.35 C 13.831 19.054 -10.435 1.00 88.35 C 14.231 19.966 -9.275 1.00 88.35 C 13.117 20.984 -9.020 1.00 88.35 C 13.516 21.972 -7.989 1.00 88.35 N1+ 16.071 15.105 -11.793 1.00 82.61 N 17.244 14.371 -12.291 1.00 82.61 C 16.979 13.584 -13.583 1.00 82.61 C 17.875 13.430 -14.405 1.00 82.61 O 17.788 13.443 -11.201 1.00 82.61 C 16.814 12.493 -10.818 1.00 82.61 O 15.744 13.128 -13.824 1.00 78.34 N 15.442 12.145 -14.881 1.00 78.34 C 15.013 12.767 -16.214 1.00 78.34 C 13.869 13.180 -16.345 1.00 78.34 O 14.373 11.200 -14.318 1.00 78.34 C 14.194 9.963 -15.200 1.00 78.34 C 13.143 9.049 -14.572 1.00 78.34 C 13.104 7.755 -15.260 1.00 78.34 N 12.403 6.701 -14.882 1.00 78.34 C 11.593 6.701 -13.858 1.00 78.34 N1+ 12.513 5.589 -15.541 1.00 78.34 N 15.902 12.838 -17.207 1.00 81.67 N 15.584 13.417 -18.530 1.00 81.67 C 14.802 12.474 -19.454 1.00 81.67 C 13.980 12.930 -20.239 1.00 81.67 O 16.884 13.870 -19.216 1.00 81.67 C 17.533 15.061 -18.538 1.00 81.67 C 18.834 15.186 -18.615 1.00 81.67 N 16.886 15.879 -17.903 1.00 81.67 O 15.045 11.169 -19.354 1.00 87.83 N 14.420 10.161 -20.210 1.00 87.83 C 14.084 8.910 -19.396 1.00 87.83 C 14.684 8.628 -18.351 1.00 87.83 O 15.344 9.800 -21.387 1.00 87.83 C 15.570 10.972 -22.354 1.00 87.83 C 16.455 10.553 -23.528 1.00 87.83 C 16.002 10.665 -24.686 1.00 87.83 O 17.595 10.111 -23.239 1.00 87.83 O1- 13.122 8.134 -19.882 1.00 89.74 N 12.733 6.855 -19.302 1.00 89.74 C 12.854 5.748 -20.343 1.00 89.74 C 12.089 5.721 -21.296 1.00 89.74 O 11.313 6.988 -18.746 1.00 89.74 C 10.650 5.767 -18.181 1.00 89.74 C 11.196 4.546 -17.950 1.00 89.74 C 9.247 5.639 -17.802 1.00 89.74 C 9.037 4.325 -17.292 1.00 89.74 C 8.124 6.495 -17.862 1.00 89.74 C 10.261 3.706 -17.386 1.00 89.74 N 7.788 3.886 -16.851 1.00 89.74 C 6.860 6.062 -17.416 1.00 89.74 C 6.694 4.764 -16.901 1.00 89.74 C 13.790 4.815 -20.137 1.00 91.04 N 13.871 3.580 -20.922 1.00 91.04 C 12.657 2.685 -20.628 1.00 91.04 C 12.568 2.087 -19.549 1.00 91.04 O 15.186 2.861 -20.596 1.00 91.04 C 15.357 1.441 -21.710 1.00 91.04 S 11.725 2.618 -21.576 1.00 93.45 N 10.451 1.908 -21.432 1.00 93.45 C 10.467 0.513 -22.055 1.00 93.45 C 9.541 -0.238 -21.801 1.00 93.45 O 9.264 2.729 -21.980 1.00 93.45 C 9.468 3.106 -23.461 1.00 93.45 C 9.010 3.966 -21.101 1.00 93.45 C 8.187 3.600 -24.129 1.00 93.45 C 11.471 0.138 -22.850 1.00 93.61 N 11.560 -1.206 -23.439 1.00 93.61 C 12.267 -2.213 -22.534 1.00 93.61 C 13.174 -1.871 -21.770 1.00 93.61 O 12.223 -1.168 -24.817 1.00 93.61 C 13.368 -0.348 -24.806 1.00 93.61 O 11.855 -3.477 -22.639 1.00 91.68 N 12.450 -4.660 -22.005 1.00 91.68 C 12.447 -5.823 -22.998 1.00 91.68 C 11.466 -6.025 -23.706 1.00 91.68 O 11.649 -5.039 -20.742 1.00 91.68 C 11.650 -3.982 -19.625 1.00 91.68 C 13.063 -3.735 -19.073 1.00 91.68 C 13.067 -2.775 -17.959 1.00 91.68 N 12.900 -1.471 -18.033 1.00 91.68 C 12.829 -0.806 -19.154 1.00 91.68 N1+ 12.778 -0.828 -16.917 1.00 91.68 N 13.513 -6.620 -23.014 1.00 90.49 N 13.694 -7.732 -23.962 1.00 90.49 C 13.123 -9.032 -23.388 1.00 90.49 C 13.851 -9.998 -23.160 1.00 90.49 O 15.176 -7.873 -24.357 1.00 90.49 C 15.655 -6.742 -25.272 1.00 90.49 C 15.674 -5.387 -24.582 1.00 90.49 C 15.000 -4.413 -25.153 1.00 90.49 N 16.264 -5.201 -23.524 1.00 90.49 O 11.826 -9.033 -23.065 1.00 88.63 N 11.147 -10.132 -22.364 1.00 88.63 C 9.869 -10.532 -23.085 1.00 88.63 C 9.307 -9.758 -23.843 1.00 88.63 O 10.842 -9.730 -20.909 1.00 88.63 C 12.071 -9.328 -20.077 1.00 88.63 C 13.172 -10.392 -19.982 1.00 88.63 C 12.770 -11.596 -19.232 1.00 88.63 N 13.594 -12.348 -18.526 1.00 88.63 C 14.866 -12.090 -18.404 1.00 88.63 N1+ 13.167 -13.413 -17.924 1.00 88.63 N 9.388 -11.744 -22.818 1.00 90.69 N 8.124 -12.217 -23.393 1.00 90.69 C 6.919 -11.911 -22.502 1.00 90.69 C 5.802 -11.831 -23.015 1.00 90.69 O 8.190 -13.717 -23.685 1.00 90.69 C 9.300 -14.030 -24.501 1.00 90.69 O 7.101 -11.766 -21.180 1.00 94.32 N 6.010 -11.518 -20.230 1.00 94.32 C 5.836 -10.033 -19.877 1.00 94.32 C 6.358 -9.532 -18.880 1.00 94.32 O 6.179 -12.397 -18.988 1.00 94.32 C 5.014 -12.342 -18.048 1.00 94.32 C 5.054 -11.884 -16.778 1.00 94.32 C 3.618 -12.698 -18.300 1.00 94.32 C 2.871 -12.464 -17.113 1.00 94.32 C 2.897 -13.174 -19.415 1.00 94.32 C 3.796 -11.984 -16.221 1.00 94.32 N 1.488 -12.672 -17.034 1.00 94.32 C 1.510 -13.402 -19.351 1.00 94.32 C 0.803 -13.138 -18.165 1.00 94.32 C 5.041 -9.351 -20.696 1.00 94.83 N 4.617 -7.965 -20.511 1.00 94.83 C 3.739 -7.499 -21.668 1.00 94.83 C 3.376 -8.300 -22.543 1.00 94.83 O 3.413 -6.210 -21.684 1.00 96.44 N 2.652 -5.595 -22.775 1.00 96.44 C 3.611 -5.203 -23.906 1.00 96.44 C 4.625 -4.576 -23.615 1.00 96.44 O 1.824 -4.405 -22.252 1.00 96.44 C 0.970 -4.883 -21.054 1.00 96.44 C 0.987 -3.781 -23.390 1.00 96.44 C -0.245 -4.015 -20.770 1.00 96.44 C 3.361 -5.568 -25.177 1.00 95.88 N 4.309 -5.321 -26.258 1.00 95.88 C 4.410 -3.835 -26.613 1.00 95.88 C 3.423 -3.100 -26.562 1.00 95.88 O 3.803 -6.141 -27.445 1.00 95.88 C 2.297 -6.209 -27.216 1.00 95.88 C 2.162 -6.203 -25.697 1.00 95.88 C 5.592 -3.413 -27.062 1.00 95.92 N 5.753 -2.163 -27.808 1.00 95.92 C 5.344 -2.434 -29.257 1.00 95.92 C 5.964 -3.244 -29.946 1.00 95.92 O 7.188 -1.613 -27.679 1.00 95.92 C 7.439 -1.240 -26.200 1.00 95.92 C 7.381 -0.391 -28.599 1.00 95.92 C 8.836 -0.693 -25.917 1.00 95.92 C 4.293 -1.754 -29.720 1.00 95.40 N 3.658 -1.997 -31.020 1.00 95.40 C 4.445 -1.376 -32.182 1.00 95.40 C 4.004 -0.422 -32.820 1.00 95.40 O 2.199 -1.516 -30.990 1.00 95.40 C 1.322 -2.104 -29.882 1.00 95.40 C -0.109 -1.606 -30.080 1.00 95.40 C 1.311 -3.626 -29.868 1.00 95.40 C 5.625 -1.925 -32.450 1.00 93.93 N 6.508 -1.511 -33.539 1.00 93.93 C 6.827 -2.665 -34.490 1.00 93.93 C 6.759 -3.841 -34.117 1.00 93.93 O 7.770 -0.862 -32.965 1.00 93.93 C 8.468 -1.717 -32.083 1.00 93.93 O 7.162 -2.320 -35.737 1.00 94.01 N 7.482 -3.275 -36.796 1.00 94.01 C 8.893 -3.020 -37.325 1.00 94.01 C 9.204 -1.909 -37.748 1.00 94.01 O 6.438 -3.183 -37.916 1.00 94.01 C 5.028 -3.515 -37.479 1.00 94.01 C 4.509 -4.806 -37.688 1.00 94.01 C 4.235 -2.535 -36.852 1.00 94.01 C 3.201 -5.111 -37.277 1.00 94.01 C 2.938 -2.851 -36.417 1.00 94.01 C 2.416 -4.133 -36.641 1.00 94.01 C 9.744 -4.041 -37.315 1.00 90.99 N 11.127 -3.967 -37.780 1.00 90.99 C 11.241 -4.467 -39.212 1.00 90.99 C 10.623 -5.471 -39.573 1.00 90.99 O 12.042 -4.766 -36.843 1.00 90.99 C 12.035 -4.264 -35.412 1.00 90.99 C 12.355 -2.921 -35.157 1.00 90.99 C 11.712 -5.118 -34.339 1.00 90.99 C 12.292 -2.415 -33.845 1.00 90.99 C 11.744 -4.630 -33.013 1.00 90.99 C 12.011 -3.267 -32.760 1.00 90.99 C 12.038 -2.751 -31.493 1.00 90.99 O 12.041 -3.787 -40.032 1.00 91.16 N 12.350 -4.268 -41.378 1.00 91.16 C 13.335 -5.437 -41.286 1.00 91.16 C 14.398 -5.314 -40.689 1.00 91.16 O 12.870 -3.098 -42.223 1.00 91.16 C 12.871 -3.475 -43.704 1.00 91.16 C 13.150 -2.269 -44.610 1.00 91.16 C 13.052 -2.784 -46.047 1.00 91.16 C 12.656 -1.753 -47.028 1.00 91.16 N1+ 13.017 -6.579 -41.902 1.00 88.23 N 13.838 -7.806 -41.837 1.00 88.23 C 15.249 -7.610 -42.396 1.00 88.23 C 16.186 -8.226 -41.902 1.00 88.23 O 13.144 -8.938 -42.607 1.00 88.23 C 11.878 -9.448 -41.908 1.00 88.23 C 11.144 -10.429 -42.829 1.00 88.23 C 9.870 -10.923 -42.144 1.00 88.23 C 8.905 -11.462 -43.128 1.00 88.23 N1+ 15.390 -6.775 -43.426 1.00 87.16 N 16.680 -6.472 -44.058 1.00 87.16 C 17.510 -5.445 -43.287 1.00 87.16 C 18.714 -5.364 -43.498 1.00 87.16 O 16.445 -5.958 -45.483 1.00 87.16 C 15.707 -4.746 -45.464 1.00 87.16 O 16.872 -4.638 -42.438 1.00 85.25 N 17.493 -3.522 -41.725 1.00 85.25 C 16.839 -3.394 -40.337 1.00 85.25 C 15.880 -2.637 -40.171 1.00 85.25 O 17.358 -2.251 -42.575 1.00 85.25 C 18.195 -1.097 -42.007 1.00 85.25 C 18.119 0.149 -42.900 1.00 85.25 C 19.125 0.887 -42.950 1.00 85.25 O 17.045 0.360 -43.518 1.00 85.25 O1- 17.314 -4.156 -39.333 1.00 71.69 N 16.663 -4.265 -38.019 1.00 71.69 C 16.533 -2.941 -37.243 1.00 71.69 C 15.700 -2.804 -36.336 1.00 71.69 O 17.523 -5.269 -37.242 1.00 71.69 C 18.163 -6.128 -38.330 1.00 71.69 C 18.395 -5.125 -39.452 1.00 71.69 C 17.345 -1.945 -37.595 1.00 75.47 N 17.280 -0.607 -37.008 1.00 75.47 C 16.149 0.245 -37.603 1.00 75.47 C 15.639 1.148 -36.933 1.00 75.47 O 18.652 0.063 -37.127 1.00 75.47 C 19.695 -0.654 -36.262 1.00 75.47 C 19.319 -1.109 -35.153 1.00 75.47 O 20.853 -0.741 -36.716 1.00 75.47 O1- 15.681 -0.097 -38.806 1.00 85.81 N 14.571 0.566 -39.483 1.00 85.81 C 13.232 0.118 -38.898 1.00 85.81 C 12.873 -1.065 -38.920 1.00 85.81 O 14.650 0.295 -40.984 1.00 85.81 C 13.762 1.132 -41.696 1.00 85.81 O 12.486 1.084 -38.354 1.00 90.92 N 11.201 0.852 -37.685 1.00 90.92 C 10.068 1.503 -38.452 1.00 90.92 C 10.081 2.706 -38.703 1.00 90.92 O 11.176 1.372 -36.240 1.00 90.92 C 9.918 0.884 -35.512 1.00 90.92 C 12.385 0.889 -35.453 1.00 90.92 C 9.034 0.718 -38.727 1.00 92.54 N 7.743 1.207 -39.171 1.00 92.54 C 6.805 1.340 -37.962 1.00 92.54 C 6.385 0.351 -37.360 1.00 92.54 O 7.241 0.269 -40.278 1.00 92.54 C 5.874 0.666 -40.841 1.00 92.54 C 5.916 2.019 -41.559 1.00 92.54 C 5.369 -0.390 -41.821 1.00 92.54 C 6.490 2.583 -37.594 1.00 93.67 N 5.534 2.917 -36.538 1.00 93.67 C 4.939 4.301 -36.810 1.00 93.67 C 5.674 5.227 -37.139 1.00 93.67 O 6.242 2.871 -35.172 1.00 93.67 C 5.258 2.835 -34.000 1.00 93.67 C 6.053 2.414 -32.426 1.00 93.67 S 6.602 4.042 -31.905 1.00 93.67 C 3.617 4.431 -36.703 1.00 94.36 N 2.890 5.702 -36.712 1.00 94.36 C 1.516 5.524 -36.049 1.00 94.36 C 1.112 4.403 -35.740 1.00 94.36 O 2.776 6.262 -38.142 1.00 94.36 C 2.008 5.368 -39.093 1.00 94.36 C 2.580 5.092 -40.238 1.00 94.36 N 0.899 4.937 -38.830 1.00 94.36 O 0.784 6.617 -35.849 1.00 95.15 N -0.496 6.615 -35.133 1.00 95.15 C -1.559 5.694 -35.733 1.00 95.15 C -2.299 5.058 -34.986 1.00 95.15 O -1.055 8.034 -35.106 1.00 95.15 C -0.058 8.911 -34.635 1.00 95.15 O -1.630 5.595 -37.062 1.00 96.36 N -2.585 4.726 -37.762 1.00 96.36 C -2.235 3.248 -37.563 1.00 96.36 C -3.102 2.441 -37.233 1.00 96.36 O -2.574 5.098 -39.249 1.00 96.36 C -3.622 4.357 -40.094 1.00 96.36 C -3.409 4.638 -41.587 1.00 96.36 C -3.719 3.772 -42.428 1.00 96.36 O -2.810 5.688 -41.917 1.00 96.36 O1- -0.948 2.907 -37.685 1.00 96.47 N -0.438 1.555 -37.426 1.00 96.47 C -0.688 1.155 -35.972 1.00 96.47 C -1.166 0.052 -35.717 1.00 96.47 O 1.059 1.474 -37.788 1.00 96.47 C 1.232 1.634 -39.312 1.00 96.47 C 1.685 0.156 -37.302 1.00 96.47 C 2.694 1.669 -39.749 1.00 96.47 C -0.416 2.055 -35.022 1.00 97.11 N -0.691 1.824 -33.605 1.00 97.11 C -2.183 1.577 -33.368 1.00 97.11 C -2.536 0.593 -32.726 1.00 97.11 O -0.196 3.018 -32.765 1.00 97.11 C 1.334 3.154 -32.669 1.00 97.11 C 1.692 4.437 -31.924 1.00 97.11 C 1.960 1.988 -31.916 1.00 97.11 C -3.064 2.420 -33.915 1.00 97.43 N -4.509 2.256 -33.771 1.00 97.43 C -4.998 0.906 -34.323 1.00 97.43 C -5.751 0.198 -33.651 1.00 97.43 O -5.206 3.429 -34.470 1.00 97.43 C -4.529 0.517 -35.513 1.00 97.07 N -4.877 -0.764 -36.130 1.00 97.07 C -4.370 -1.953 -35.308 1.00 97.07 C -5.131 -2.876 -35.021 1.00 97.07 O -4.324 -0.793 -37.557 1.00 97.07 C -4.704 -2.038 -38.313 1.00 97.07 C -3.993 -3.199 -38.340 1.00 97.07 C -5.803 -2.162 -39.161 1.00 97.07 N -5.703 -3.380 -39.712 1.00 97.07 C -4.634 -4.034 -39.226 1.00 97.07 N -3.111 -1.916 -34.865 1.00 96.03 N -2.528 -2.965 -34.035 1.00 96.03 C -3.262 -3.116 -32.690 1.00 96.03 C -3.528 -4.242 -32.265 1.00 96.03 O -1.039 -2.657 -33.841 1.00 96.03 C -3.649 -2.007 -32.048 1.00 97.61 N -4.453 -2.017 -30.815 1.00 97.61 C -5.808 -2.680 -31.061 1.00 97.61 C -6.215 -3.538 -30.278 1.00 97.61 O -4.618 -0.585 -30.252 1.00 97.61 C -3.259 -0.093 -29.718 1.00 97.61 C -5.657 -0.535 -29.113 1.00 97.61 C -3.207 1.398 -29.359 1.00 97.61 C -6.494 -2.343 -32.154 1.00 97.50 N -7.783 -2.952 -32.492 1.00 97.50 C -7.642 -4.460 -32.772 1.00 97.50 C -8.444 -5.266 -32.295 1.00 97.50 O -8.410 -2.175 -33.661 1.00 97.50 C -9.819 -2.649 -34.047 1.00 97.50 C -10.831 -2.691 -32.883 1.00 97.50 C -11.673 -3.621 -32.890 1.00 97.50 O -10.775 -1.836 -31.965 1.00 97.50 O1- -6.561 -4.890 -33.436 1.00 95.07 N -6.258 -6.320 -33.617 1.00 95.07 C -5.965 -7.035 -32.302 1.00 95.07 C -6.478 -8.135 -32.089 1.00 95.07 O -5.103 -6.500 -34.618 1.00 95.07 C -5.473 -6.104 -36.055 1.00 95.07 C -6.584 -6.988 -36.633 1.00 95.07 C -6.928 -6.549 -38.052 1.00 95.07 C -8.026 -7.388 -38.582 1.00 95.07 N1+ -5.219 -6.416 -31.387 1.00 95.54 N -4.997 -6.954 -30.035 1.00 95.54 C -6.313 -7.027 -29.259 1.00 95.54 C -6.580 -8.022 -28.586 1.00 95.54 O -3.928 -6.126 -29.285 1.00 95.54 C -2.553 -6.443 -29.907 1.00 95.54 C -3.917 -6.443 -27.777 1.00 95.54 C -1.409 -5.585 -29.371 1.00 95.54 C -7.188 -6.031 -29.393 1.00 96.50 N -8.519 -6.047 -28.783 1.00 96.50 C -9.375 -7.190 -29.327 1.00 96.50 C -10.157 -7.762 -28.575 1.00 96.50 O -9.168 -4.684 -29.023 1.00 96.50 C -10.487 -4.502 -28.265 1.00 96.50 C -11.045 -3.141 -28.675 1.00 96.50 C -12.424 -2.863 -28.088 1.00 96.50 C -12.953 -1.636 -28.727 1.00 96.50 N1+ -9.229 -7.577 -30.588 1.00 95.16 N -9.973 -8.700 -31.167 1.00 95.16 C -9.372 -10.058 -30.776 1.00 95.16 C -10.085 -10.923 -30.270 1.00 95.16 O -10.049 -8.517 -32.688 1.00 95.16 C -10.955 -7.326 -33.047 1.00 95.16 C -10.861 -6.903 -34.508 1.00 95.16 C -11.383 -5.741 -34.827 1.00 95.16 N -10.334 -7.591 -35.375 1.00 95.16 O -8.058 -10.236 -30.956 1.00 92.81 N -7.368 -11.530 -30.805 1.00 92.81 C -6.801 -11.812 -29.410 1.00 92.81 C -6.473 -12.956 -29.099 1.00 92.81 O -6.231 -11.607 -31.827 1.00 92.81 C -6.698 -11.719 -33.284 1.00 92.81 C -5.465 -12.001 -34.156 1.00 92.81 C -5.837 -12.678 -35.469 1.00 92.81 C -4.621 -12.980 -36.276 1.00 92.81 N1+ -6.664 -10.786 -28.578 1.00 92.67 N -5.917 -10.829 -27.325 1.00 92.67 C -4.413 -10.616 -27.523 1.00 92.67 C -3.839 -10.919 -28.570 1.00 92.67 O -3.755 -10.130 -26.472 1.00 93.13 N -2.342 -9.727 -26.486 1.00 93.13 C -1.373 -10.860 -26.850 1.00 93.13 C -0.340 -10.631 -27.472 1.00 93.13 O -2.033 -9.117 -25.107 1.00 93.13 C -0.758 -8.261 -25.150 1.00 93.13 C -1.997 -10.209 -24.019 1.00 93.13 C -0.675 -7.367 -23.910 1.00 93.13 C -1.719 -12.109 -26.521 1.00 92.90 N -0.876 -13.266 -26.818 1.00 92.90 C -0.706 -13.480 -28.326 1.00 92.90 C 0.327 -13.992 -28.740 1.00 92.90 O -1.462 -14.519 -26.144 1.00 92.90 C -1.319 -14.510 -24.633 1.00 92.90 C -2.156 -15.234 -23.931 1.00 92.90 N -0.452 -13.872 -24.058 1.00 92.90 O -1.671 -13.061 -29.151 1.00 92.43 N -1.560 -13.187 -30.600 1.00 92.43 C -0.385 -12.378 -31.175 1.00 92.43 C 0.187 -12.790 -32.184 1.00 92.43 O -2.894 -12.781 -31.223 1.00 92.43 C 0.028 -11.291 -30.508 1.00 93.62 N 1.208 -10.504 -30.885 1.00 93.62 C 2.508 -11.323 -30.832 1.00 93.62 C 3.370 -11.178 -31.691 1.00 93.62 O 1.315 -9.280 -29.970 1.00 93.62 C 2.372 -8.314 -30.396 1.00 93.62 C 3.666 -8.333 -30.004 1.00 93.62 C 2.267 -7.232 -31.370 1.00 93.62 C 3.549 -6.617 -31.500 1.00 93.62 C 1.225 -6.734 -32.184 1.00 93.62 C 4.366 -7.338 -30.656 1.00 93.62 N 3.780 -5.547 -32.373 1.00 93.62 C 1.451 -5.668 -33.075 1.00 93.62 C 2.720 -5.066 -33.161 1.00 93.62 C 2.617 -12.239 -29.865 1.00 91.98 N 3.801 -13.077 -29.625 1.00 91.98 C 3.730 -14.445 -30.320 1.00 91.98 C 4.483 -15.359 -29.984 1.00 91.98 O 3.996 -13.240 -28.112 1.00 91.98 C 4.251 -11.942 -27.381 1.00 91.98 C 5.562 -11.438 -27.284 1.00 91.98 C 3.177 -11.228 -26.815 1.00 91.98 C 5.801 -10.234 -26.600 1.00 91.98 C 3.417 -10.017 -26.148 1.00 91.98 C 4.728 -9.528 -26.030 1.00 91.98 C 2.773 -14.643 -31.229 1.00 87.76 N 2.630 -15.907 -31.936 1.00 87.76 C 3.526 -15.949 -33.179 1.00 87.76 C 3.148 -15.430 -34.228 1.00 87.76 O 1.151 -16.151 -32.266 1.00 87.76 C 0.921 -17.517 -32.894 1.00 87.76 C -0.295 -17.797 -33.291 1.00 87.76 N 1.802 -18.357 -33.018 1.00 87.76 O 4.656 -16.648 -33.077 1.00 73.47 N 5.632 -16.818 -34.167 1.00 73.47 C 5.087 -17.588 -35.383 1.00 73.47 C 5.689 -17.574 -36.455 1.00 73.47 O 6.867 -17.563 -33.634 1.00 73.47 C 7.501 -16.909 -32.405 1.00 73.47 C 7.429 -15.666 -32.299 1.00 73.47 O 7.981 -17.685 -31.549 1.00 73.47 O1- 3.953 -18.288 -35.236 1.00 71.07 N 3.289 -18.980 -36.353 1.00 71.07 C 2.390 -18.052 -37.175 1.00 71.07 C 2.028 -18.412 -38.289 1.00 71.07 O 2.508 -20.200 -35.845 1.00 71.07 C 3.415 -21.234 -35.161 1.00 71.07 C 2.619 -22.498 -34.820 1.00 71.07 C 3.546 -23.536 -34.183 1.00 71.07 C 2.838 -24.819 -33.951 1.00 71.07 N1+ 2.032 -16.886 -36.636 1.00 66.23 N 1.166 -15.889 -37.274 1.00 66.23 C 2.027 -14.782 -37.912 1.00 66.23 C 2.145 -13.674 -37.390 1.00 66.23 O 0.132 -15.381 -36.243 1.00 66.23 C -1.037 -14.606 -36.869 1.00 66.23 C -1.051 -14.498 -38.109 1.00 66.23 O -1.933 -14.176 -36.092 1.00 66.23 O1- 2.733 -15.132 -38.994 1.00 69.02 N 3.734 -14.267 -39.636 1.00 69.02 C 3.188 -13.389 -40.770 1.00 69.02 C 3.972 -12.658 -41.383 1.00 69.02 O 4.939 -15.117 -40.094 1.00 69.02 C 5.898 -15.431 -38.963 1.00 69.02 C 6.694 -16.462 -39.103 1.00 69.02 N 5.972 -14.747 -37.957 1.00 69.02 O 1.886 -13.431 -41.064 1.00 84.87 N 1.319 -12.528 -42.064 1.00 84.87 C 1.153 -11.121 -41.477 1.00 84.87 C 0.207 -10.808 -40.753 1.00 84.87 O 0.023 -13.064 -42.686 1.00 84.87 C -0.393 -12.214 -43.900 1.00 84.87 C 0.338 -11.245 -44.231 1.00 84.87 O -1.416 -12.550 -44.530 1.00 84.87 O1- 2.109 -10.247 -41.786 1.00 91.30 N 2.085 -8.861 -41.326 1.00 91.30 C 0.944 -8.048 -41.936 1.00 91.30 C 0.624 -7.001 -41.378 1.00 91.30 O 3.422 -8.182 -41.621 1.00 91.30 C 4.610 -8.736 -40.837 1.00 91.30 C 4.462 -8.724 -39.027 1.00 91.30 S 3.819 -10.398 -38.737 1.00 91.30 C 0.299 -8.509 -43.022 1.00 92.71 N -0.873 -7.823 -43.588 1.00 92.71 C -1.988 -7.699 -42.562 1.00 92.71 C -2.674 -6.696 -42.510 1.00 92.71 O -1.407 -8.571 -44.815 1.00 92.71 C -0.428 -8.523 -45.990 1.00 92.71 C -1.031 -9.211 -47.216 1.00 92.71 C -0.084 -9.012 -48.401 1.00 92.71 C -0.644 -9.562 -49.655 1.00 92.71 N1+ -2.139 -8.676 -41.676 1.00 91.98 N -3.165 -8.578 -40.648 1.00 91.98 C -2.869 -7.493 -39.601 1.00 91.98 C -3.784 -6.830 -39.103 1.00 91.98 O -3.330 -9.948 -40.006 1.00 91.98 C -4.439 -9.829 -38.969 1.00 91.98 C -4.982 -11.161 -38.525 1.00 91.98 C -6.003 -11.101 -37.809 1.00 91.98 O -4.369 -12.224 -38.746 1.00 91.98 O1- -1.593 -7.318 -39.264 1.00 93.66 N -1.130 -6.421 -38.206 1.00 93.66 C -0.875 -4.995 -38.685 1.00 93.66 C -0.726 -4.097 -37.857 1.00 93.66 O 0.124 -7.029 -37.580 1.00 93.66 C -0.123 -8.336 -36.906 1.00 93.66 C 0.125 -9.561 -37.422 1.00 93.66 C -0.777 -8.561 -35.625 1.00 93.66 C -0.893 -9.967 -35.422 1.00 93.66 C -1.314 -7.715 -34.631 1.00 93.66 C -0.332 -10.530 -36.551 1.00 93.66 N -1.477 -10.509 -34.268 1.00 93.66 C -1.914 -8.249 -33.476 1.00 93.66 C -1.982 -9.640 -33.284 1.00 93.66 C -0.844 -4.783 -39.997 1.00 95.37 N -0.655 -3.485 -40.622 1.00 95.37 C -1.951 -3.017 -41.307 1.00 95.37 C -2.728 -3.842 -41.779 1.00 95.37 O 0.517 -3.569 -41.613 1.00 95.37 C 1.895 -3.796 -40.962 1.00 95.37 C 2.934 -4.115 -42.038 1.00 95.37 C 2.368 -2.551 -40.205 1.00 95.37 C -2.193 -1.698 -41.392 1.00 95.59 N -3.255 -1.149 -42.228 1.00 95.59 C -3.111 -1.558 -43.701 1.00 95.59 C -1.998 -1.762 -44.193 1.00 95.59 O -3.163 0.373 -42.070 1.00 95.59 C -2.448 0.567 -40.734 1.00 95.59 C -1.536 -0.652 -40.631 1.00 95.59 C -4.231 -1.570 -44.427 1.00 94.79 N -4.328 -2.048 -45.816 1.00 94.79 C -3.290 -1.423 -46.760 1.00 94.79 C -2.674 -2.119 -47.565 1.00 94.79 O -5.760 -1.791 -46.303 1.00 94.79 C -6.055 -2.418 -47.674 1.00 94.79 C -7.529 -2.286 -48.090 1.00 94.79 C -7.881 -2.897 -49.123 1.00 94.79 O -8.296 -1.607 -47.369 1.00 94.79 O1- -2.995 -0.128 -46.592 1.00 95.17 N -2.009 0.605 -47.404 1.00 95.17 C -0.572 0.073 -47.316 1.00 95.17 C 0.260 0.439 -48.137 1.00 95.17 O -2.069 2.096 -47.042 1.00 95.17 C -1.437 2.404 -45.676 1.00 95.17 C -1.611 3.882 -45.331 1.00 95.17 C -0.797 4.174 -44.081 1.00 95.17 C -0.889 5.584 -43.669 1.00 95.17 N1+ -0.256 -0.744 -46.311 1.00 94.98 N 1.062 -1.360 -46.140 1.00 94.98 C 1.099 -2.820 -46.592 1.00 94.98 C 2.149 -3.452 -46.484 1.00 94.98 O 1.503 -1.245 -44.681 1.00 94.98 C 1.705 0.171 -44.195 1.00 94.98 C 2.845 0.891 -44.598 1.00 94.98 C 0.762 0.757 -43.336 1.00 94.98 C 3.031 2.214 -44.161 1.00 94.98 C 0.968 2.061 -42.854 1.00 94.98 C 2.088 2.800 -43.294 1.00 94.98 C 2.237 4.097 -42.921 1.00 94.98 O -0.006 -3.383 -47.090 1.00 94.75 N -0.069 -4.800 -47.446 1.00 94.75 C 0.990 -5.215 -48.477 1.00 94.75 C 1.529 -6.319 -48.370 1.00 94.75 O -1.469 -5.144 -47.966 1.00 94.75 C -2.534 -5.321 -46.912 1.00 94.75 C -2.435 -5.156 -45.554 1.00 94.75 C -3.827 -5.713 -47.177 1.00 94.75 N -4.487 -5.802 -46.013 1.00 94.75 C -3.678 -5.474 -45.002 1.00 94.75 N 1.328 -4.343 -49.427 1.00 94.31 N 2.313 -4.640 -50.474 1.00 94.31 C 3.728 -4.823 -49.907 1.00 94.31 C 4.463 -5.712 -50.333 1.00 94.31 O 2.282 -3.529 -51.534 1.00 94.31 C 0.946 -3.465 -52.284 1.00 94.31 C 0.254 -4.509 -52.334 1.00 94.31 O 0.630 -2.364 -52.778 1.00 94.31 O1- 4.082 -4.054 -48.873 1.00 93.12 N 5.399 -4.106 -48.211 1.00 93.12 C 5.400 -4.940 -46.930 1.00 93.12 C 6.455 -5.174 -46.351 1.00 93.12 O 5.958 -2.696 -47.951 1.00 93.12 C 6.187 -1.946 -49.268 1.00 93.12 C 5.050 -1.852 -47.043 1.00 93.12 C 4.244 -5.430 -46.474 1.00 92.49 N 4.092 -6.113 -45.187 1.00 92.49 C 5.068 -7.292 -45.008 1.00 92.49 C 5.602 -7.511 -43.921 1.00 92.49 O 2.634 -6.577 -45.086 1.00 92.49 C 5.358 -8.019 -46.089 1.00 91.29 N 6.281 -9.153 -46.095 1.00 91.29 C 7.732 -8.782 -45.718 1.00 91.29 C 8.470 -9.649 -45.234 1.00 91.29 O 6.202 -9.824 -47.474 1.00 91.29 C 6.775 -8.994 -48.597 1.00 91.29 C 8.024 -9.147 -49.136 1.00 91.29 C 6.177 -7.943 -49.270 1.00 91.29 N 7.053 -7.478 -50.175 1.00 91.29 C 8.184 -8.197 -50.140 1.00 91.29 N 8.128 -7.513 -45.874 1.00 92.26 N 9.445 -6.984 -45.493 1.00 92.26 C 9.593 -6.772 -43.981 1.00 92.26 C 10.715 -6.618 -43.497 1.00 92.26 O 9.727 -5.646 -46.199 1.00 92.26 C 9.708 -5.735 -47.732 1.00 92.26 C 10.098 -4.412 -48.417 1.00 92.26 C 9.762 -4.252 -49.606 1.00 92.26 O 10.770 -3.558 -47.780 1.00 92.26 O1- 8.493 -6.782 -43.225 1.00 92.48 N 8.479 -6.429 -41.808 1.00 92.48 C 8.244 -7.636 -40.889 1.00 92.48 C 7.767 -8.696 -41.306 1.00 92.48 O 7.470 -5.295 -41.569 1.00 92.48 C 7.860 -3.989 -42.241 1.00 92.48 C 8.727 -3.090 -41.590 1.00 92.48 C 7.390 -3.690 -43.533 1.00 92.48 C 9.136 -1.905 -42.233 1.00 92.48 C 7.791 -2.506 -44.180 1.00 92.48 C 8.663 -1.609 -43.530 1.00 92.48 C 9.043 -0.458 -44.145 1.00 92.48 O 8.593 -7.479 -39.615 1.00 90.65 N 8.223 -8.367 -38.516 1.00 90.65 C 7.850 -7.554 -37.265 1.00 90.65 C 8.294 -6.422 -37.091 1.00 90.65 O 9.353 -9.375 -38.243 1.00 90.65 C 10.894 -8.536 -37.771 1.00 90.65 S 7.020 -8.123 -36.386 1.00 91.89 N 6.628 -7.485 -35.117 1.00 91.89 C 7.795 -7.441 -34.132 1.00 91.89 C 8.574 -8.391 -34.044 1.00 91.89 O 5.452 -8.237 -34.479 1.00 91.89 C 4.140 -8.034 -35.252 1.00 91.89 C 3.040 -8.987 -34.773 1.00 91.89 C 3.383 -10.393 -35.062 1.00 91.89 N 2.686 -11.461 -34.725 1.00 91.89 C 1.507 -11.362 -34.197 1.00 91.89 N1+ 3.178 -12.647 -34.917 1.00 91.89 N 7.855 -6.370 -33.347 1.00 90.40 N 8.755 -6.274 -32.202 1.00 90.40 C 8.423 -7.303 -31.122 1.00 90.40 C 7.256 -7.603 -30.862 1.00 90.40 O 8.716 -4.866 -31.611 1.00 90.40 C 9.618 -4.787 -30.523 1.00 90.40 O 9.475 -7.809 -30.479 1.00 88.37 N 9.402 -8.685 -29.308 1.00 88.37 C 9.604 -7.918 -27.992 1.00 88.37 C 9.518 -8.517 -26.924 1.00 88.37 O 10.442 -9.811 -29.448 1.00 88.37 C 10.229 -10.683 -30.695 1.00 88.37 C 8.898 -11.432 -30.694 1.00 88.37 C 8.287 -11.612 -31.844 1.00 88.37 N 8.398 -11.886 -29.675 1.00 88.37 O 9.889 -6.612 -28.053 1.00 92.65 N 10.079 -5.795 -26.858 1.00 92.65 C 8.755 -5.617 -26.108 1.00 92.65 C 7.712 -5.319 -26.698 1.00 92.65 O 10.663 -4.414 -27.198 1.00 92.65 C 12.071 -4.450 -27.798 1.00 92.65 C 12.954 -5.121 -27.212 1.00 92.65 O 12.271 -3.731 -28.807 1.00 92.65 O1- 8.814 -5.724 -24.786 1.00 95.38 N 7.717 -5.371 -23.883 1.00 95.38 C 7.980 -4.041 -23.196 1.00 95.38 C 9.124 -3.607 -23.072 1.00 95.38 O 7.451 -6.463 -22.839 1.00 95.38 C 6.903 -7.732 -23.486 1.00 95.38 C 8.618 -6.775 -22.110 1.00 95.38 O 6.922 -3.406 -22.709 1.00 95.00 N 6.997 -2.217 -21.879 1.00 95.00 C 7.492 -2.542 -20.462 1.00 95.00 C 7.330 -3.651 -19.951 1.00 95.00 O 5.649 -1.481 -21.871 1.00 95.00 C 5.396 -0.821 -23.233 1.00 95.00 C 3.936 0.251 -23.302 1.00 95.00 S 2.679 -0.986 -23.672 1.00 95.00 C 8.125 -1.551 -19.843 1.00 92.38 N 8.521 -1.532 -18.441 1.00 92.38 C 7.291 -1.707 -17.536 1.00 92.38 C 6.281 -1.033 -17.709 1.00 92.38 O 9.238 -0.194 -18.177 1.00 92.38 C 9.832 -0.029 -16.776 1.00 92.38 C 9.677 -0.928 -15.925 1.00 92.38 O 10.521 0.998 -16.560 1.00 92.38 O1- 7.408 -2.544 -16.509 1.00 92.24 N 6.393 -2.750 -15.459 1.00 92.24 C 6.018 -1.475 -14.703 1.00 92.24 C 4.913 -1.343 -14.171 1.00 92.24 O 6.906 -3.765 -14.431 1.00 92.24 C 6.907 -5.167 -15.023 1.00 92.24 C 8.329 -3.451 -13.922 1.00 92.24 C 6.914 -0.489 -14.655 1.00 92.78 N 6.556 0.826 -14.128 1.00 92.78 C 5.593 1.576 -15.050 1.00 92.78 C 4.832 2.408 -14.571 1.00 92.78 O 7.817 1.633 -13.838 1.00 92.78 C 8.657 1.062 -12.744 1.00 92.78 C 9.891 0.539 -12.906 1.00 92.78 C 8.311 0.863 -11.339 1.00 92.78 C 9.426 0.250 -10.690 1.00 92.78 C 7.158 1.101 -10.555 1.00 92.78 C 10.357 0.070 -11.693 1.00 92.78 N 9.412 -0.077 -9.326 1.00 92.78 C 7.126 0.754 -9.190 1.00 92.78 C 8.253 0.182 -8.573 1.00 92.78 C 5.579 1.284 -16.350 1.00 95.65 N 4.554 1.790 -17.260 1.00 95.65 C 3.223 1.093 -16.990 1.00 95.65 C 2.197 1.770 -16.902 1.00 95.65 O 5.011 1.628 -18.714 1.00 95.65 C 4.308 2.566 -19.671 1.00 95.65 C 2.958 2.359 -20.006 1.00 95.65 C 5.002 3.659 -20.223 1.00 95.65 C 2.308 3.217 -20.909 1.00 95.65 C 4.351 4.522 -21.122 1.00 95.65 C 3.008 4.297 -21.470 1.00 95.65 C 3.252 -0.223 -16.758 1.00 95.70 N 2.071 -0.993 -16.376 1.00 95.70 C 1.420 -0.399 -15.141 1.00 95.70 C 0.341 0.181 -15.233 1.00 95.70 O 2.370 -2.485 -16.157 1.00 95.70 C 2.787 -3.258 -17.406 1.00 95.70 C 3.309 -2.657 -18.368 1.00 95.70 O 2.604 -4.491 -17.386 1.00 95.70 O1- 2.099 -0.449 -14.000 1.00 95.68 N 1.581 0.105 -12.750 1.00 95.68 C 1.311 1.614 -12.843 1.00 95.68 C 0.302 2.080 -12.315 1.00 95.68 O 2.535 -0.236 -11.603 1.00 95.68 C 3.837 0.248 -11.869 1.00 95.68 O 2.141 2.379 -13.559 1.00 96.49 N 1.947 3.812 -13.784 1.00 96.49 C 0.659 4.143 -14.536 1.00 96.49 C 0.045 5.168 -14.274 1.00 96.49 O 0.182 3.264 -15.413 1.00 97.94 N -1.077 3.458 -16.141 1.00 97.94 C -2.334 3.090 -15.338 1.00 97.94 C -3.452 3.234 -15.841 1.00 97.94 O -1.018 2.725 -17.480 1.00 97.94 C -1.009 1.328 -17.314 1.00 97.94 O -2.201 2.671 -14.072 1.00 98.19 N -3.329 2.161 -13.280 1.00 98.19 C -4.380 3.217 -12.933 1.00 98.19 C -5.513 2.859 -12.615 1.00 98.19 O -2.835 1.459 -12.014 1.00 98.19 C -2.353 2.399 -11.080 1.00 98.19 O -4.070 4.514 -13.049 1.00 97.90 N -5.075 5.582 -12.948 1.00 97.90 C -6.172 5.459 -14.022 1.00 97.90 C -7.272 5.986 -13.837 1.00 97.90 O -4.390 6.953 -13.015 1.00 97.90 C -3.599 7.219 -14.260 1.00 97.90 C -2.258 7.101 -14.362 1.00 97.90 C -4.061 7.614 -15.590 1.00 97.90 C -2.929 7.685 -16.459 1.00 97.90 C -5.324 7.912 -16.152 1.00 97.90 C -1.858 7.356 -15.655 1.00 97.90 N -3.044 8.028 -17.813 1.00 97.90 C -5.449 8.254 -17.513 1.00 97.90 C -4.314 8.311 -18.343 1.00 97.90 C -5.917 4.722 -15.111 1.00 97.53 N -6.928 4.382 -16.118 1.00 97.53 C -8.081 3.549 -15.549 1.00 97.53 C -9.196 3.659 -16.043 1.00 97.53 O -6.303 3.645 -17.303 1.00 97.53 C -5.801 2.387 -16.905 1.00 97.53 O -7.873 2.799 -14.459 1.00 98.02 N -8.946 2.072 -13.754 1.00 98.02 C -9.977 3.043 -13.175 1.00 98.02 C -11.177 2.773 -13.208 1.00 98.02 O -8.353 1.194 -12.632 1.00 98.02 C -9.428 0.455 -11.823 1.00 98.02 C -7.404 0.133 -13.206 1.00 98.02 C -9.519 4.191 -12.668 1.00 98.18 N -10.394 5.240 -12.133 1.00 98.18 C -11.086 5.992 -13.276 1.00 98.18 C -12.283 6.265 -13.199 1.00 98.18 O -9.602 6.195 -11.212 1.00 98.18 C -8.785 5.472 -10.115 1.00 98.18 C -10.558 7.211 -10.569 1.00 98.18 C -9.571 4.454 -9.280 1.00 98.18 C -10.361 6.264 -14.370 1.00 97.20 N -10.946 6.815 -15.603 1.00 97.20 C -12.079 5.919 -16.123 1.00 97.20 C -13.185 6.404 -16.333 1.00 97.20 O -9.838 7.026 -16.648 1.00 97.20 C -10.383 7.588 -17.967 1.00 97.20 C -9.271 7.812 -19.002 1.00 97.20 C -9.912 8.230 -20.330 1.00 97.20 C -8.956 8.290 -21.465 1.00 97.20 N1+ -11.840 4.615 -16.227 1.00 97.03 N -12.831 3.626 -16.656 1.00 97.03 C -14.050 3.574 -15.732 1.00 97.03 C -15.176 3.412 -16.200 1.00 97.03 O -12.185 2.231 -16.683 1.00 97.03 C -11.526 1.874 -18.011 1.00 97.03 C -11.462 2.700 -18.938 1.00 97.03 O -11.216 0.678 -18.202 1.00 97.03 O1- -13.862 3.724 -14.421 1.00 97.45 N -14.987 3.821 -13.498 1.00 97.45 C -15.883 5.025 -13.839 1.00 97.45 C -17.094 4.859 -14.002 1.00 97.45 O -14.466 3.851 -12.060 1.00 97.45 C -15.545 4.158 -11.050 1.00 97.45 C -15.575 5.416 -10.423 1.00 97.45 C -16.553 3.213 -10.780 1.00 97.45 C -16.602 5.719 -9.518 1.00 97.45 C -17.571 3.515 -9.858 1.00 97.45 C -17.590 4.766 -9.219 1.00 97.45 C -15.305 6.210 -14.049 1.00 97.68 N -16.071 7.398 -14.436 1.00 97.68 C -16.730 7.270 -15.819 1.00 97.68 C -17.916 7.563 -15.968 1.00 97.68 O -15.159 8.631 -14.389 1.00 97.68 C -14.691 9.047 -13.005 1.00 97.68 C -15.624 9.237 -11.969 1.00 97.68 C -13.329 9.303 -12.765 1.00 97.68 C -15.203 9.639 -10.688 1.00 97.68 C -12.907 9.747 -11.498 1.00 97.68 C -13.839 9.903 -10.452 1.00 97.68 C -13.430 10.355 -9.239 1.00 97.68 O -15.994 6.810 -16.830 1.00 96.00 N -16.475 6.771 -18.218 1.00 96.00 C -17.415 5.593 -18.477 1.00 96.00 C -18.470 5.759 -19.083 1.00 96.00 O -15.289 6.693 -19.192 1.00 96.00 C -14.441 7.969 -19.158 1.00 96.00 C -13.245 7.953 -20.119 1.00 96.00 C -12.712 9.048 -20.417 1.00 96.00 O -12.780 6.856 -20.500 1.00 96.00 O1- -17.062 4.389 -18.018 1.00 95.60 N -17.812 3.164 -18.331 1.00 95.60 C -18.900 2.886 -17.300 1.00 95.60 C -20.008 2.512 -17.680 1.00 95.60 O -16.867 1.958 -18.491 1.00 95.60 C -15.760 2.165 -19.543 1.00 95.60 C -14.817 0.951 -19.605 1.00 95.60 C -13.700 1.176 -20.635 1.00 95.60 C -12.615 0.165 -20.518 1.00 95.60 N1+ -18.604 3.073 -16.009 1.00 95.34 N -19.569 2.760 -14.940 1.00 95.34 C -20.517 3.928 -14.670 1.00 95.34 C -21.725 3.718 -14.596 1.00 95.34 O -18.890 2.291 -13.645 1.00 95.34 C -17.905 1.310 -13.919 1.00 95.34 O -19.998 5.160 -14.581 1.00 96.40 N -20.815 6.362 -14.335 1.00 96.40 C -21.265 7.095 -15.603 1.00 96.40 C -22.102 7.994 -15.511 1.00 96.40 O -20.114 7.308 -13.342 1.00 96.40 C -19.720 6.677 -11.998 1.00 96.40 C -19.273 7.763 -11.021 1.00 96.40 C -20.872 5.934 -11.329 1.00 96.40 C -20.767 6.693 -16.782 1.00 94.87 N -21.131 7.274 -18.088 1.00 94.87 C -20.954 8.793 -18.130 1.00 94.87 C -21.782 9.512 -18.689 1.00 94.87 O -22.524 6.801 -18.528 1.00 94.87 C -22.614 5.273 -18.630 1.00 94.87 C -24.007 4.874 -19.121 1.00 94.87 C -24.111 3.350 -19.171 1.00 94.87 C -25.465 2.922 -19.601 1.00 94.87 N1+ -19.885 9.285 -17.507 1.00 94.33 N -19.555 10.703 -17.496 1.00 94.33 C -18.855 11.116 -18.789 1.00 94.33 C -17.901 10.479 -19.222 1.00 94.33 O -18.678 11.029 -16.281 1.00 94.33 C -19.423 10.969 -14.942 1.00 94.33 C -18.426 11.233 -13.822 1.00 94.33 C -20.532 12.024 -14.856 1.00 94.33 C -19.294 12.236 -19.360 1.00 89.24 N -18.621 12.889 -20.489 1.00 89.24 C -17.461 13.791 -20.056 1.00 89.24 C -16.578 14.089 -20.856 1.00 89.24 O -19.647 13.707 -21.275 1.00 89.24 C -20.317 14.619 -20.418 1.00 89.24 O -17.454 14.232 -18.792 1.00 93.39 N -16.417 15.074 -18.188 1.00 93.39 C -15.906 14.417 -16.913 1.00 93.39 C -16.696 14.029 -16.057 1.00 93.39 O -16.989 16.477 -17.937 1.00 93.39 C -15.959 17.449 -17.339 1.00 93.39 C -16.578 18.846 -17.202 1.00 93.39 C -15.643 19.808 -16.463 1.00 93.39 C -16.340 21.085 -16.156 1.00 93.39 N1+ -14.585 14.316 -16.790 1.00 93.96 N -13.935 13.665 -15.655 1.00 93.96 C -13.663 14.653 -14.512 1.00 93.96 C -13.274 15.795 -14.781 1.00 93.96 O -12.633 12.984 -16.108 1.00 93.96 C -12.820 11.955 -17.234 1.00 93.96 C -11.473 11.329 -17.589 1.00 93.96 C -13.780 10.844 -16.829 1.00 93.96 C -13.791 14.213 -13.248 1.00 94.39 N -13.212 14.914 -12.109 1.00 94.39 C -11.695 15.077 -12.259 1.00 94.39 C -11.016 14.265 -12.891 1.00 94.39 O -13.571 14.086 -10.872 1.00 94.39 C -14.805 13.309 -11.321 1.00 94.39 C -14.512 13.034 -12.792 1.00 94.39 C -11.165 16.148 -11.675 1.00 92.08 N -9.748 16.496 -11.740 1.00 92.08 C -9.298 17.088 -10.399 1.00 92.08 C -9.782 18.172 -10.063 1.00 92.08 O -9.554 17.494 -12.883 1.00 92.08 C -8.257 18.040 -12.863 1.00 92.08 O -8.359 16.461 -9.659 1.00 95.95 N -7.704 15.165 -9.920 1.00 95.95 C -8.674 13.971 -10.014 1.00 95.95 C -9.846 14.090 -9.668 1.00 95.95 O -6.712 14.972 -8.764 1.00 95.95 C -6.436 16.395 -8.285 1.00 95.95 C -7.796 17.059 -8.461 1.00 95.95 C -8.196 12.814 -10.494 1.00 97.37 N -9.043 11.623 -10.682 1.00 97.37 C -9.439 10.972 -9.348 1.00 97.37 C -10.540 10.429 -9.238 1.00 97.37 O -8.325 10.589 -11.576 1.00 97.37 C -8.167 10.980 -13.055 1.00 97.37 C -7.318 9.926 -13.772 1.00 97.37 C -9.510 11.066 -13.784 1.00 97.37 C -8.550 11.002 -8.354 1.00 98.22 N -8.777 10.417 -7.032 1.00 98.22 C -8.104 11.221 -5.916 1.00 98.22 C -7.114 11.918 -6.137 1.00 98.22 O -8.314 8.954 -7.028 1.00 98.22 C -6.890 8.701 -7.482 1.00 98.22 C -6.621 8.464 -8.843 1.00 98.22 C -5.853 8.608 -6.538 1.00 98.22 C -5.317 8.157 -9.265 1.00 98.22 C -4.557 8.257 -6.955 1.00 98.22 C -4.275 8.070 -8.324 1.00 98.22 C -3.022 7.739 -8.732 1.00 98.22 O -8.637 11.116 -4.698 1.00 98.34 N -8.192 11.937 -3.576 1.00 98.34 C -6.889 11.426 -2.964 1.00 98.34 C -5.980 12.217 -2.739 1.00 98.34 O -9.283 12.044 -2.500 1.00 98.34 C -10.510 12.852 -2.961 1.00 98.34 C -11.557 12.051 -3.732 1.00 98.34 C -12.697 12.641 -4.010 1.00 98.34 N -11.401 10.878 -4.037 1.00 98.34 O -6.768 10.120 -2.698 1.00 98.34 N -5.618 9.586 -1.947 1.00 98.34 C -4.847 8.526 -2.725 1.00 98.34 C -5.408 7.572 -3.262 1.00 98.34 O -6.026 9.105 -0.540 1.00 98.34 C -4.863 8.455 0.225 1.00 98.34 C -6.502 10.296 0.305 1.00 98.34 C -3.527 8.682 -2.701 1.00 96.61 N -2.522 7.711 -3.102 1.00 96.61 C -1.659 7.379 -1.872 1.00 96.61 C -1.049 8.289 -1.311 1.00 96.61 O -1.699 8.401 -4.193 1.00 96.61 C -0.630 7.220 -5.029 1.00 96.61 S -1.608 6.122 -1.415 1.00 98.28 N -0.869 5.746 -0.198 1.00 98.28 C 0.048 4.556 -0.445 1.00 98.28 C -0.453 3.460 -0.654 1.00 98.28 O -1.849 5.494 0.965 1.00 98.28 C -1.170 5.218 2.329 1.00 98.28 C -2.168 5.475 3.457 1.00 98.28 C -0.685 3.780 2.536 1.00 98.28 C 1.365 4.742 -0.328 1.00 97.49 N 2.352 3.658 -0.456 1.00 97.49 C 3.619 3.867 0.398 1.00 97.49 C 3.763 4.854 1.124 1.00 97.49 O 2.765 3.437 -1.921 1.00 97.49 C 1.673 3.096 -2.942 1.00 97.49 C 0.895 1.823 -2.600 1.00 97.49 C -0.277 1.714 -3.019 1.00 97.49 O 1.431 0.961 -1.867 1.00 97.49 O1- 4.550 2.912 0.322 1.00 94.19 N 5.852 2.972 0.978 1.00 94.19 C 6.786 4.032 0.389 1.00 94.19 C 6.647 4.482 -0.750 1.00 94.19 O 7.783 4.440 1.177 1.00 91.54 N 8.730 5.497 0.786 1.00 91.54 C 9.543 5.217 -0.487 1.00 91.54 C 9.970 6.165 -1.150 1.00 91.54 O 9.649 5.832 1.960 1.00 91.54 C 10.558 4.786 2.230 1.00 91.54 O 9.708 3.956 -0.875 1.00 88.48 N 10.309 3.521 -2.138 1.00 88.48 C 9.487 3.907 -3.376 1.00 88.48 C 10.055 4.068 -4.455 1.00 88.48 O 10.534 2.001 -2.097 1.00 88.48 C 9.263 1.185 -1.797 1.00 88.48 C 8.578 1.502 -0.798 1.00 88.48 O 8.994 0.235 -2.556 1.00 88.48 O1- 8.183 4.153 -3.236 1.00 94.01 N 7.313 4.454 -4.376 1.00 94.01 C 7.485 5.868 -4.947 1.00 94.01 C 7.012 6.139 -6.050 1.00 94.01 O 5.855 4.128 -4.025 1.00 94.01 C 5.667 2.639 -3.679 1.00 94.01 C 6.216 1.701 -4.742 1.00 94.01 C 6.940 0.664 -4.394 1.00 94.01 N 6.041 1.917 -5.932 1.00 94.01 O 8.264 6.741 -4.293 1.00 92.65 N 8.677 8.035 -4.864 1.00 92.65 C 9.509 7.892 -6.142 1.00 92.65 C 9.493 8.796 -6.968 1.00 92.65 O 9.516 8.827 -3.855 1.00 92.65 C 8.733 9.297 -2.671 1.00 92.65 C 8.198 10.542 -2.485 1.00 92.65 C 8.418 8.544 -1.572 1.00 92.65 N 7.678 9.312 -0.763 1.00 92.65 C 7.549 10.549 -1.254 1.00 92.65 N 10.240 6.780 -6.295 1.00 87.83 N 10.979 6.434 -7.523 1.00 87.83 C 10.271 5.367 -8.369 1.00 87.83 C 10.843 4.876 -9.332 1.00 87.83 O 12.426 6.030 -7.184 1.00 87.83 C 12.512 4.726 -6.371 1.00 87.83 C 13.943 4.194 -6.295 1.00 87.83 C 13.985 2.874 -5.635 1.00 87.83 N 15.071 2.150 -5.422 1.00 87.83 C 16.270 2.608 -5.653 1.00 87.83 N1+ 14.975 0.925 -4.992 1.00 87.83 N 9.078 4.956 -7.945 1.00 90.41 N 8.318 3.848 -8.513 1.00 90.41 C 6.926 4.307 -8.921 1.00 90.41 C 6.770 5.098 -9.856 1.00 90.41 O 5.904 3.826 -8.213 1.00 95.45 N 4.513 3.997 -8.623 1.00 95.45 C 4.004 5.446 -8.600 1.00 95.45 C 3.302 5.858 -9.524 1.00 95.45 O 3.629 3.090 -7.773 1.00 95.45 C 2.224 3.055 -8.263 1.00 95.45 C 1.851 2.697 -9.509 1.00 95.45 C 1.004 3.453 -7.577 1.00 95.45 C -0.089 3.284 -8.475 1.00 95.45 C 0.709 3.940 -6.288 1.00 95.45 C 0.491 2.849 -9.645 1.00 95.45 N -1.406 3.561 -8.099 1.00 95.45 C -0.620 4.165 -5.886 1.00 95.45 C -1.678 3.993 -6.792 1.00 95.45 C 4.393 6.259 -7.608 1.00 96.15 N 3.990 7.673 -7.569 1.00 96.15 C 4.523 8.425 -8.791 1.00 96.15 C 3.786 9.147 -9.461 1.00 96.15 O 4.498 8.358 -6.289 1.00 96.15 C 4.033 7.794 -4.959 1.00 96.15 C 2.812 7.101 -4.838 1.00 96.15 C 4.812 8.029 -3.808 1.00 96.15 C 2.368 6.673 -3.576 1.00 96.15 C 4.370 7.592 -2.548 1.00 96.15 C 3.138 6.934 -2.432 1.00 96.15 C 5.803 8.208 -9.105 1.00 94.80 N 6.470 8.853 -10.229 1.00 94.80 C 5.871 8.415 -11.565 1.00 94.80 C 5.526 9.255 -12.389 1.00 94.80 O 7.973 8.536 -10.186 1.00 94.80 C 8.716 9.391 -11.218 1.00 94.80 C 10.210 9.109 -11.312 1.00 94.80 C 11.019 10.127 -11.512 1.00 94.80 N 10.681 7.984 -11.275 1.00 94.80 O 5.747 7.110 -11.786 1.00 94.91 N 5.233 6.572 -13.048 1.00 94.91 C 3.764 6.930 -13.284 1.00 94.91 C 3.398 7.262 -14.412 1.00 94.91 O 5.428 5.062 -13.099 1.00 94.91 C 4.928 4.461 -11.924 1.00 94.91 O 2.936 6.968 -12.235 1.00 97.06 N 1.540 7.418 -12.340 1.00 97.06 C 1.433 8.889 -12.727 1.00 97.06 C 0.652 9.249 -13.607 1.00 97.06 O 0.776 7.177 -11.037 1.00 97.06 C 0.762 5.806 -10.714 1.00 97.06 O 2.255 9.745 -12.115 1.00 96.77 N 2.353 11.153 -12.491 1.00 96.77 C 2.813 11.312 -13.944 1.00 96.77 C 2.184 12.033 -14.716 1.00 96.77 O 3.335 11.832 -11.526 1.00 96.77 C 3.631 13.304 -11.848 1.00 96.77 C 2.404 14.184 -11.622 1.00 96.77 C 4.774 13.766 -10.948 1.00 96.77 C 3.904 10.635 -14.307 1.00 95.63 N 4.520 10.750 -15.623 1.00 95.63 C 3.571 10.304 -16.724 1.00 95.63 C 3.329 11.072 -17.645 1.00 95.63 O 5.822 9.934 -15.669 1.00 95.63 C 7.016 10.632 -15.001 1.00 95.63 C 8.246 9.728 -15.107 1.00 95.63 C 7.294 11.976 -15.679 1.00 95.63 C 2.992 9.110 -16.619 1.00 96.28 N 2.060 8.608 -17.638 1.00 96.28 C 0.815 9.488 -17.747 1.00 96.28 C 0.370 9.749 -18.863 1.00 96.28 O 1.630 7.165 -17.362 1.00 96.28 C 2.775 6.157 -17.461 1.00 96.28 C 1.075 7.104 -16.076 1.00 96.28 O 0.277 10.023 -16.638 1.00 96.76 N -0.889 10.921 -16.673 1.00 96.76 C -0.581 12.247 -17.369 1.00 96.76 C -1.341 12.665 -18.238 1.00 96.76 O -1.420 11.156 -15.247 1.00 96.76 C -2.656 12.075 -15.203 1.00 96.76 C -3.905 11.410 -15.801 1.00 96.76 C -5.018 12.434 -16.036 1.00 96.76 C -4.887 13.059 -17.374 1.00 96.76 N1+ 0.510 12.908 -16.992 1.00 95.75 N 0.880 14.230 -17.527 1.00 95.75 C 1.415 14.115 -18.960 1.00 95.75 C 1.104 14.947 -19.818 1.00 95.75 O 1.894 14.906 -16.583 1.00 95.75 C 2.393 16.246 -17.128 1.00 95.75 C 1.267 15.190 -15.209 1.00 95.75 C 2.176 13.057 -19.255 1.00 95.34 N 2.728 12.788 -20.580 1.00 95.34 C 1.677 12.316 -21.593 1.00 95.34 C 1.835 12.578 -22.779 1.00 95.34 O 3.844 11.751 -20.480 1.00 95.34 C 0.583 11.683 -21.172 1.00 94.76 N -0.529 11.394 -22.087 1.00 94.76 C -1.404 12.625 -22.309 1.00 94.76 C -1.571 13.061 -23.443 1.00 94.76 O -1.365 10.211 -21.607 1.00 94.76 C -1.757 10.370 -20.255 1.00 94.76 O -1.895 13.268 -21.240 1.00 92.87 N -2.912 14.319 -21.392 1.00 92.87 C -2.386 15.714 -21.725 1.00 92.87 C -3.183 16.565 -22.097 1.00 92.87 O -3.850 14.371 -20.186 1.00 92.87 C -3.232 14.799 -18.980 1.00 92.87 O -1.089 15.985 -21.557 1.00 93.25 N -0.492 17.322 -21.720 1.00 93.25 C -1.115 18.408 -20.826 1.00 93.25 C -1.230 19.567 -21.211 1.00 93.25 O -0.470 17.732 -23.205 1.00 93.25 C 0.553 18.825 -23.464 1.00 93.25 C 0.347 19.645 -24.464 1.00 93.25 N 1.577 18.916 -22.803 1.00 93.25 O -1.541 18.021 -19.626 1.00 91.88 N -2.161 18.922 -18.649 1.00 91.88 C -1.363 18.813 -17.351 1.00 91.88 C -1.082 17.683 -16.940 1.00 91.88 O -3.653 18.589 -18.443 1.00 91.88 C -4.310 19.485 -17.391 1.00 91.88 C -4.465 18.778 -19.728 1.00 91.88 C -1.007 19.934 -16.691 1.00 94.58 N -0.248 19.935 -15.440 1.00 94.58 C -1.142 19.571 -14.241 1.00 94.58 C -1.322 20.344 -13.299 1.00 94.58 O 0.375 21.331 -15.353 1.00 94.58 C -0.682 22.210 -16.016 1.00 94.58 C -1.219 21.312 -17.131 1.00 94.58 C -1.744 18.382 -14.295 1.00 95.63 N -2.581 17.824 -13.235 1.00 95.63 C -2.144 16.393 -12.934 1.00 95.63 C -2.171 15.515 -13.800 1.00 95.63 O -4.071 17.905 -13.607 1.00 95.63 C -4.930 17.165 -12.579 1.00 95.63 C -4.563 19.359 -13.649 1.00 95.63 C -1.783 16.156 -11.673 1.00 97.25 N -1.504 14.824 -11.157 1.00 97.25 C -2.799 13.990 -11.087 1.00 97.25 C -3.881 14.547 -10.898 1.00 97.25 O -0.841 14.962 -9.780 1.00 97.25 C -2.725 12.652 -11.196 1.00 97.60 N -3.920 11.819 -11.080 1.00 97.60 C -4.492 11.801 -9.647 1.00 97.60 C -5.675 11.517 -9.478 1.00 97.60 O -3.473 10.443 -11.577 1.00 97.60 C -1.982 10.391 -11.251 1.00 97.60 C -1.532 11.842 -11.413 1.00 97.60 C -3.677 12.154 -8.647 1.00 98.03 N -4.006 12.200 -7.221 1.00 98.03 C -4.040 13.629 -6.656 1.00 98.03 C -3.264 14.482 -7.085 1.00 98.03 O -2.995 11.349 -6.439 1.00 98.03 C -1.546 11.464 -6.880 1.00 98.03 C -0.954 10.445 -7.654 1.00 98.03 C -0.792 12.594 -6.524 1.00 98.03 C 0.392 10.544 -8.056 1.00 98.03 C 0.551 12.700 -6.925 1.00 98.03 C 1.149 11.669 -7.675 1.00 98.03 C 2.458 11.767 -8.012 1.00 98.03 O -4.873 13.865 -5.640 1.00 98.03 N -4.896 15.108 -4.847 1.00 98.03 C -3.904 15.081 -3.667 1.00 98.03 C -3.217 16.068 -3.391 1.00 98.03 O -6.333 15.331 -4.348 1.00 98.03 C -6.558 16.704 -3.699 1.00 98.03 C -7.969 16.850 -3.103 1.00 98.03 C -8.128 17.727 -2.224 1.00 98.03 O -8.875 16.084 -3.507 1.00 98.03 O1- -3.784 13.938 -2.988 1.00 98.11 N -2.923 13.741 -1.823 1.00 98.11 C -2.070 12.464 -1.940 1.00 98.11 C -2.551 11.387 -2.300 1.00 98.11 O -3.768 13.791 -0.530 1.00 98.11 C -2.925 13.582 0.740 1.00 98.11 C -3.566 14.102 2.035 1.00 98.11 C -2.819 14.588 2.916 1.00 98.11 O -4.799 14.072 2.236 1.00 98.11 O1- -0.785 12.586 -1.591 1.00 98.43 N 0.177 11.480 -1.486 1.00 98.43 C 0.534 11.252 -0.022 1.00 98.43 C 1.139 12.105 0.635 1.00 98.43 O 1.439 11.731 -2.330 1.00 98.43 C 2.496 10.631 -2.146 1.00 98.43 C 1.095 11.777 -3.820 1.00 98.43 C 0.205 10.063 0.476 1.00 98.38 N 0.534 9.602 1.822 1.00 98.38 C 1.658 8.573 1.724 1.00 98.38 C 1.598 7.621 0.951 1.00 98.38 O -0.706 9.065 2.564 1.00 98.38 C -1.828 10.127 2.580 1.00 98.38 C -0.316 8.648 3.997 1.00 98.38 C -3.123 9.647 3.236 1.00 98.38 C 2.709 8.762 2.512 1.00 98.00 N 3.859 7.859 2.538 1.00 98.00 C 4.029 7.232 3.907 1.00 98.00 C 4.138 7.948 4.905 1.00 98.00 O 5.143 8.582 2.153 1.00 98.00 C 6.330 7.624 2.075 1.00 98.00 C 4.983 9.189 0.895 1.00 98.00 O 4.163 5.906 3.932 1.00 96.93 N 4.599 5.181 5.120 1.00 96.93 C 6.066 4.721 5.047 1.00 96.93 C 6.658 4.592 3.969 1.00 96.93 O 3.619 4.048 5.445 1.00 96.93 C 3.602 2.935 4.436 1.00 96.93 C 2.680 2.749 3.447 1.00 96.93 C 4.495 1.895 4.357 1.00 96.93 N 4.113 1.095 3.350 1.00 96.93 C 2.999 1.567 2.767 1.00 96.93 N 6.667 4.490 6.215 1.00 93.32 N 7.980 3.868 6.363 1.00 93.32 C 7.957 2.357 6.125 1.00 93.32 C 6.939 1.769 5.747 1.00 93.32 O 9.104 1.723 6.334 1.00 92.22 N 9.274 0.275 6.267 1.00 92.22 C 9.015 -0.395 7.616 1.00 92.22 C 8.997 0.245 8.662 1.00 92.22 O 10.677 -0.046 5.739 1.00 92.22 C 10.788 0.142 4.243 1.00 92.22 C 10.435 -0.917 3.385 1.00 92.22 C 11.200 1.377 3.709 1.00 92.22 C 10.484 -0.740 1.993 1.00 92.22 C 11.264 1.547 2.314 1.00 92.22 C 10.896 0.491 1.463 1.00 92.22 C 8.829 -1.712 7.593 1.00 91.07 N 8.747 -2.531 8.806 1.00 91.07 C 10.128 -3.066 9.177 1.00 91.07 C 10.806 -3.661 8.331 1.00 91.07 O 7.741 -3.674 8.640 1.00 91.07 C 6.324 -3.125 8.468 1.00 91.07 C 8.047 -4.449 7.495 1.00 91.07 O 10.513 -2.877 10.434 1.00 89.97 N 11.770 -3.314 11.035 1.00 89.97 C 11.493 -4.364 12.111 1.00 89.97 C 10.419 -4.361 12.721 1.00 89.97 O 12.508 -2.113 11.653 1.00 89.97 C 12.751 -0.921 10.714 1.00 89.97 C 13.415 0.219 11.486 1.00 89.97 C 13.624 -1.280 9.513 1.00 89.97 C 12.457 -5.249 12.345 1.00 87.58 N 12.416 -6.153 13.495 1.00 87.58 C 12.642 -5.407 14.822 1.00 87.58 C 12.847 -4.190 14.850 1.00 87.58 O 13.384 -7.330 13.280 1.00 87.58 C 14.878 -6.991 13.360 1.00 87.58 C 15.248 -5.899 13.841 1.00 87.58 O 15.666 -7.854 12.919 1.00 87.58 O1- 12.597 -6.137 15.938 1.00 85.53 N 12.784 -5.580 17.285 1.00 85.53 C 14.141 -4.897 17.510 1.00 85.53 C 14.246 -4.037 18.382 1.00 85.53 O 12.546 -6.676 18.331 1.00 85.53 C 13.594 -7.803 18.309 1.00 85.53 C 13.302 -8.903 19.338 1.00 85.53 C 14.075 -9.884 19.351 1.00 85.53 O 12.293 -8.777 20.075 1.00 85.53 O1- 15.148 -5.230 16.698 1.00 84.36 N 16.492 -4.660 16.759 1.00 84.36 C 16.664 -3.468 15.802 1.00 84.36 C 17.760 -2.923 15.680 1.00 84.36 O 17.509 -5.781 16.491 1.00 84.36 C 17.413 -6.886 17.526 1.00 84.36 C 17.249 -8.118 17.106 1.00 84.36 N 17.473 -6.654 18.720 1.00 84.36 O 15.600 -3.059 15.102 1.00 84.76 N 15.642 -1.974 14.125 1.00 84.76 C 16.268 -2.370 12.785 1.00 84.76 C 16.568 -1.496 11.971 1.00 84.76 O 16.460 -3.665 12.517 1.00 82.40 N 16.982 -4.142 11.241 1.00 82.40 C 15.850 -4.317 10.228 1.00 82.40 C 14.731 -4.729 10.547 1.00 82.40 O 17.780 -5.442 11.424 1.00 82.40 C 19.017 -5.320 12.330 1.00 82.40 C 19.590 -6.712 12.592 1.00 82.40 C 20.109 -4.467 11.677 1.00 82.40 C 16.152 -4.032 8.958 1.00 77.67 N 15.202 -4.236 7.861 1.00 77.67 C 14.837 -5.717 7.763 1.00 77.67 C 15.714 -6.573 7.643 1.00 77.67 O 15.782 -3.677 6.556 1.00 77.67 C 14.749 -3.691 5.419 1.00 77.67 C 15.340 -3.059 4.155 1.00 77.67 C 14.303 -3.053 3.027 1.00 77.67 C 14.856 -2.434 1.797 1.00 77.67 N1+ 13.538 -6.012 7.763 1.00 79.51 N 13.065 -7.386 7.612 1.00 79.51 C 13.384 -7.924 6.212 1.00 79.51 C 13.021 -7.315 5.201 1.00 79.51 O 11.566 -7.492 7.899 1.00 79.51 C 11.223 -7.255 9.371 1.00 79.51 C 9.489 -7.658 9.729 1.00 79.51 S 9.486 -7.368 11.515 1.00 79.51 C 14.037 -9.083 6.140 1.00 70.78 N 14.285 -9.790 4.881 1.00 70.78 C 14.298 -11.305 5.070 1.00 70.78 C 14.653 -11.821 6.131 1.00 70.78 O 15.594 -9.317 4.240 1.00 70.78 C 16.701 -9.807 4.957 1.00 70.78 O 13.930 -12.045 4.016 1.00 68.72 N 13.952 -13.515 4.056 1.00 68.72 C 15.366 -14.073 4.218 1.00 68.72 C 15.522 -15.101 4.857 1.00 68.72 O 13.287 -14.118 2.812 1.00 68.72 C 11.764 -13.951 2.848 1.00 68.72 C 11.099 -14.710 1.693 1.00 68.72 C 9.581 -14.546 1.818 1.00 68.72 C 8.844 -15.332 0.800 1.00 68.72 N1+ 16.374 -13.402 3.660 1.00 64.94 N 17.777 -13.823 3.749 1.00 64.94 C 18.350 -13.701 5.160 1.00 64.94 C 19.185 -14.512 5.531 1.00 64.94 O 18.628 -13.007 2.770 1.00 64.94 C 18.297 -11.629 2.838 1.00 64.94 O 17.898 -12.715 5.944 1.00 68.14 N 18.324 -12.520 7.344 1.00 68.14 C 17.498 -13.380 8.313 1.00 68.14 C 17.907 -13.601 9.445 1.00 68.14 O 18.287 -11.016 7.699 1.00 68.14 C 18.671 -10.697 9.148 1.00 68.14 C 19.269 -10.229 6.814 1.00 68.14 C 16.344 -13.901 7.881 1.00 74.50 N 15.489 -14.766 8.702 1.00 74.50 C 14.642 -14.025 9.745 1.00 74.50 C 13.893 -14.657 10.476 1.00 74.50 O 14.684 -12.692 9.774 1.00 81.87 N 13.962 -11.837 10.726 1.00 81.87 C 12.573 -11.382 10.225 1.00 81.87 C 12.041 -10.362 10.660 1.00 81.87 O 14.867 -10.648 11.097 1.00 81.87 C 15.116 -9.679 9.950 1.00 81.87 C 15.571 -8.488 10.243 1.00 81.87 N 14.920 -9.978 8.775 1.00 81.87 O 11.987 -12.083 9.249 1.00 81.57 N 10.707 -11.669 8.654 1.00 81.57 C 9.531 -12.179 9.475 1.00 81.57 C 9.331 -13.384 9.585 1.00 81.57 O 10.564 -12.149 7.205 1.00 81.57 C 9.301 -11.607 6.529 1.00 81.57 C 11.646 -11.685 6.432 1.00 81.57 O 8.681 -11.266 9.943 1.00 87.37 N 7.404 -11.614 10.570 1.00 87.37 C 6.298 -11.603 9.509 1.00 87.37 C 6.084 -10.606 8.808 1.00 87.37 O 7.111 -10.695 11.773 1.00 87.37 C 8.261 -10.790 12.807 1.00 87.37 C 5.762 -11.082 12.401 1.00 87.37 C 8.083 -9.910 14.050 1.00 87.37 C 5.585 -12.724 9.378 1.00 91.35 N 4.417 -12.804 8.499 1.00 91.35 C 3.167 -12.232 9.190 1.00 91.35 C 3.026 -12.355 10.407 1.00 91.35 O 4.179 -14.229 7.986 1.00 91.35 C 3.565 -15.044 8.961 1.00 91.35 O 2.216 -11.640 8.445 1.00 94.16 N 0.942 -11.206 9.019 1.00 94.16 C 0.161 -12.351 9.681 1.00 94.16 C -0.460 -12.156 10.723 1.00 94.16 O 0.169 -10.606 7.843 1.00 94.16 C 1.270 -10.139 6.892 1.00 94.16 C 2.324 -11.225 7.056 1.00 94.16 C 0.235 -13.559 9.117 1.00 93.73 N -0.457 -14.734 9.655 1.00 93.73 C 0.118 -15.168 11.014 1.00 93.73 C -0.649 -15.537 11.903 1.00 93.73 O -0.391 -15.874 8.626 1.00 93.73 C -1.432 -16.979 8.880 1.00 93.73 C -2.893 -16.559 8.611 1.00 93.73 C -3.800 -17.370 8.911 1.00 93.73 O -3.158 -15.457 8.087 1.00 93.73 O1- 1.437 -15.040 11.211 1.00 93.45 N 2.091 -15.287 12.500 1.00 93.45 C 1.577 -14.343 13.601 1.00 93.45 C 1.446 -14.744 14.750 1.00 93.45 O 3.610 -15.156 12.323 1.00 93.45 C 1.202 -13.106 13.264 1.00 94.72 N 0.609 -12.159 14.226 1.00 94.72 C -0.840 -12.544 14.550 1.00 94.72 C -1.275 -12.491 15.703 1.00 94.72 O 0.707 -10.720 13.674 1.00 94.72 C 2.192 -10.328 13.523 1.00 94.72 C -0.020 -9.726 14.600 1.00 94.72 C 2.419 -9.064 12.695 1.00 94.72 C -1.604 -12.945 13.531 1.00 96.41 N -3.014 -13.319 13.686 1.00 96.41 C -3.143 -14.594 14.529 1.00 96.41 C -3.975 -14.643 15.437 1.00 96.41 O -3.684 -13.458 12.298 1.00 96.41 C -3.774 -12.067 11.625 1.00 96.41 C -5.087 -14.089 12.396 1.00 96.41 C -4.217 -12.106 10.157 1.00 96.41 C -2.336 -15.619 14.237 1.00 95.51 N -2.418 -16.943 14.879 1.00 95.51 C -1.496 -17.122 16.079 1.00 95.51 C -1.744 -18.028 16.868 1.00 95.51 O -2.127 -18.042 13.852 1.00 95.51 C -3.172 -18.065 12.738 1.00 95.51 C -3.005 -19.327 11.894 1.00 95.51 C -3.910 -19.269 10.749 1.00 95.51 N -5.161 -19.641 10.636 1.00 95.51 C -5.747 -20.411 11.510 1.00 95.51 N1+ -5.824 -19.193 9.613 1.00 95.51 N -0.492 -16.264 16.230 1.00 93.40 N 0.638 -16.493 17.124 1.00 93.40 C 1.708 -17.355 16.453 1.00 93.40 C 1.431 -18.096 15.507 1.00 93.40 O 2.933 -17.243 16.953 1.00 92.48 N 4.073 -18.055 16.533 1.00 92.48 C 5.006 -18.249 17.730 1.00 92.48 C 5.680 -17.315 18.170 1.00 92.48 O 4.791 -17.393 15.347 1.00 92.48 C 5.867 -18.286 14.713 1.00 92.48 C 6.445 -19.145 15.422 1.00 92.48 O 6.099 -18.105 13.497 1.00 92.48 O1- 5.014 -19.463 18.280 1.00 89.21 N 5.807 -19.804 19.463 1.00 89.21 C 7.313 -19.703 19.201 1.00 89.21 C 8.048 -19.273 20.089 1.00 89.21 O 5.450 -21.219 19.948 1.00 89.21 C 4.008 -21.310 20.475 1.00 89.21 C 3.640 -22.691 21.046 1.00 89.21 C 2.523 -22.787 21.610 1.00 89.21 O 4.445 -23.639 20.911 1.00 89.21 O1- 7.774 -20.005 17.980 1.00 86.62 N 9.201 -19.946 17.636 1.00 86.62 C 9.726 -18.510 17.653 1.00 86.62 C 10.897 -18.272 17.934 1.00 86.62 O 9.426 -20.541 16.241 1.00 86.62 C 9.013 -21.991 16.142 1.00 86.62 C 8.221 -22.325 15.152 1.00 86.62 N 9.389 -22.837 16.933 1.00 86.62 O 8.848 -17.557 17.348 1.00 84.50 N 9.145 -16.131 17.363 1.00 84.50 C 8.714 -15.456 18.675 1.00 84.50 C 8.849 -14.243 18.797 1.00 84.50 O 8.494 -15.493 16.123 1.00 84.50 C 9.004 -15.997 14.761 1.00 84.50 C 8.215 -15.296 13.652 1.00 84.50 C 10.492 -15.707 14.554 1.00 84.50 C 8.164 -16.198 19.644 1.00 88.23 N 7.650 -15.645 20.903 1.00 88.23 C 6.439 -14.715 20.733 1.00 88.23 C 6.206 -13.844 21.575 1.00 88.23 O 5.675 -14.859 19.645 1.00 90.37 N 4.570 -13.962 19.303 1.00 90.37 C 3.236 -14.512 19.831 1.00 90.37 C 2.847 -15.627 19.469 1.00 90.37 O 4.503 -13.705 17.785 1.00 90.37 C 5.830 -13.272 17.139 1.00 90.37 C 5.648 -13.123 15.628 1.00 90.37 C 6.436 -11.977 17.682 1.00 90.37 C 2.484 -13.743 20.643 1.00 92.55 N 1.150 -14.147 21.064 1.00 92.55 C 0.155 -14.077 19.897 1.00 92.55 C 0.283 -13.247 18.999 1.00 92.55 O 0.779 -13.181 22.193 1.00 92.55 C 1.522 -11.901 21.809 1.00 92.55 C 2.807 -12.422 21.168 1.00 92.55 C -0.897 -14.895 19.954 1.00 93.99 N -2.015 -14.802 19.020 1.00 93.99 C -2.824 -13.522 19.276 1.00 93.99 C -3.575 -13.440 20.252 1.00 93.99 O -2.879 -16.061 19.157 1.00 93.99 C -2.678 -12.520 18.406 1.00 95.41 N -3.396 -11.249 18.540 1.00 95.41 C -4.714 -11.218 17.751 1.00 95.41 C -5.588 -10.395 18.032 1.00 95.41 O -2.469 -10.085 18.151 1.00 95.41 C -1.188 -9.920 18.982 1.00 95.41 C -0.496 -8.631 18.533 1.00 95.41 C -1.506 -9.802 20.475 1.00 95.41 C -4.889 -12.119 16.782 1.00 96.04 N -6.031 -12.113 15.871 1.00 96.04 C -5.985 -10.972 14.847 1.00 96.04 C -5.023 -10.210 14.758 1.00 96.04 O -7.054 -10.857 14.058 1.00 97.56 N -7.156 -9.907 12.933 1.00 97.56 C -7.089 -8.456 13.400 1.00 97.56 C -6.235 -7.694 12.955 1.00 97.56 O -8.444 -10.174 12.137 1.00 97.56 C -8.681 -9.116 11.053 1.00 97.56 C -8.359 -11.581 11.529 1.00 97.56 C -7.932 -8.083 14.358 1.00 98.02 N -7.892 -6.746 14.958 1.00 98.02 C -6.612 -6.508 15.774 1.00 98.02 C -6.186 -5.369 15.924 1.00 98.02 O -9.143 -6.559 15.813 1.00 98.02 C -10.378 -6.171 15.002 1.00 98.02 C -10.297 -5.869 13.791 1.00 98.02 O -11.451 -6.194 15.625 1.00 98.02 O1- -5.953 -7.582 16.216 1.00 97.35 N -4.575 -7.602 16.703 1.00 97.35 C -3.578 -6.965 15.755 1.00 97.35 C -2.906 -5.988 16.087 1.00 97.35 O -3.521 -7.519 14.546 1.00 97.54 N -2.689 -7.010 13.463 1.00 97.54 C -3.045 -5.555 13.130 1.00 97.54 C -2.155 -4.726 12.955 1.00 97.54 O -2.875 -7.948 12.258 1.00 97.54 C -2.145 -7.502 10.983 1.00 97.54 C -0.627 -7.505 11.154 1.00 97.54 C -2.521 -8.444 9.841 1.00 97.54 C -4.337 -5.221 13.080 1.00 98.43 N -4.782 -3.859 12.753 1.00 98.43 C -4.409 -2.842 13.824 1.00 98.43 C -3.922 -1.764 13.490 1.00 98.43 O -6.285 -3.837 12.483 1.00 98.43 C -6.675 -4.710 11.279 1.00 98.43 C -8.187 -4.690 11.071 1.00 98.43 C -8.623 -3.338 10.702 1.00 98.43 N -8.825 -2.867 9.493 1.00 98.43 C -8.684 -3.586 8.419 1.00 98.43 N1+ -9.212 -1.641 9.318 1.00 98.43 N -4.566 -3.200 15.095 1.00 98.15 N -4.154 -2.368 16.219 1.00 98.15 C -2.642 -2.135 16.213 1.00 98.15 C -2.209 -1.000 16.395 1.00 98.15 O -4.595 -3.030 17.527 1.00 98.15 C -4.581 -2.097 18.719 1.00 98.15 C -3.370 -1.684 19.312 1.00 98.15 C -5.805 -1.624 19.224 1.00 98.15 C -3.382 -0.798 20.405 1.00 98.15 C -5.825 -0.742 20.310 1.00 98.15 C -4.618 -0.326 20.895 1.00 98.15 C -4.692 0.542 21.925 1.00 98.15 O -1.846 -3.182 15.948 1.00 96.78 N -0.388 -3.081 15.822 1.00 96.78 C 0.016 -2.034 14.777 1.00 96.78 C 0.914 -1.242 15.036 1.00 96.78 O 0.193 -4.466 15.471 1.00 96.78 C 1.710 -4.471 15.194 1.00 96.78 C 2.522 -4.174 16.452 1.00 96.78 C 2.134 -5.833 14.654 1.00 96.78 C -0.658 -2.009 13.625 1.00 97.39 N -0.402 -1.010 12.582 1.00 97.39 C -0.859 0.387 13.018 1.00 97.39 C -0.111 1.354 12.879 1.00 97.39 O -1.062 -1.452 11.256 1.00 97.39 C -0.454 -2.756 10.684 1.00 97.39 C -0.995 -0.327 10.211 1.00 97.39 C 1.077 -2.819 10.613 1.00 97.39 C -2.075 0.505 13.552 1.00 98.01 N -2.668 1.792 13.896 1.00 98.01 C -1.957 2.500 15.061 1.00 98.01 C -1.913 3.726 15.078 1.00 98.01 O -4.150 1.564 14.194 1.00 98.01 C -1.382 1.766 16.020 1.00 96.67 N -0.675 2.379 17.153 1.00 96.67 C 0.675 2.999 16.767 1.00 96.67 C 1.241 3.774 17.537 1.00 96.67 O -0.504 1.373 18.298 1.00 96.67 C 0.513 0.270 17.972 1.00 96.67 C 0.918 -0.559 19.175 1.00 96.67 C 1.868 -1.443 18.991 1.00 96.67 N 0.411 -0.442 20.279 1.00 96.67 O 1.221 2.650 15.603 1.00 93.39 N 2.534 3.107 15.163 1.00 93.39 C 2.444 4.432 14.406 1.00 93.39 C 1.505 4.680 13.649 1.00 93.39 O 3.194 2.028 14.306 1.00 93.39 C 3.360 0.845 15.064 1.00 93.39 O 3.459 5.291 14.553 1.00 94.46 N 3.631 6.417 13.636 1.00 94.46 C 4.131 5.888 12.286 1.00 94.46 C 5.330 5.719 12.085 1.00 94.46 O 4.586 7.468 14.226 1.00 94.46 C 4.799 8.632 13.266 1.00 94.46 C 5.742 9.496 13.549 1.00 94.46 N 4.127 8.792 12.253 1.00 94.46 O 3.213 5.641 11.355 1.00 95.66 N 3.567 5.052 10.067 1.00 95.66 C 4.412 5.963 9.172 1.00 95.66 C 4.969 5.480 8.195 1.00 95.66 O 2.301 4.602 9.334 1.00 95.66 C 1.426 5.742 8.844 1.00 95.66 C 0.262 6.088 9.550 1.00 95.66 C 1.774 6.462 7.683 1.00 95.66 C -0.551 7.133 9.083 1.00 95.66 C 0.985 7.536 7.245 1.00 95.66 C -0.184 7.870 7.944 1.00 95.66 C 4.513 7.269 9.451 1.00 94.20 N 5.319 8.194 8.624 1.00 94.20 C 6.830 7.962 8.767 1.00 94.20 C 7.627 8.481 7.973 1.00 94.20 O 4.994 9.665 8.917 1.00 94.20 C 3.510 9.991 8.749 1.00 94.20 C 5.381 10.036 10.221 1.00 94.20 O 7.216 7.168 9.769 1.00 92.35 N 8.559 6.646 10.030 1.00 92.35 C 8.567 5.124 9.912 1.00 92.35 C 7.518 4.501 9.745 1.00 92.35 O 9.050 7.076 11.424 1.00 92.35 C 9.175 8.597 11.519 1.00 92.35 C 8.166 6.682 12.447 1.00 92.35 O 9.749 4.519 9.990 1.00 92.57 N 9.852 3.063 10.041 1.00 92.57 C 9.214 2.516 11.331 1.00 92.57 C 9.229 3.168 12.379 1.00 92.57 O 11.310 2.621 9.868 1.00 92.57 C 11.902 2.960 8.493 1.00 92.57 C 11.124 3.205 7.537 1.00 92.57 O 13.144 2.989 8.386 1.00 92.57 O1- 8.605 1.334 11.231 1.00 91.03 N 7.779 0.725 12.275 1.00 91.03 C 8.449 -0.547 12.771 1.00 91.03 C 8.630 -1.496 12.010 1.00 91.03 O 6.351 0.437 11.768 1.00 91.03 C 5.671 1.737 11.286 1.00 91.03 C 5.533 -0.246 12.883 1.00 91.03 C 4.302 1.499 10.645 1.00 91.03 C 8.758 -0.577 14.063 1.00 90.44 N 9.308 -1.750 14.745 1.00 90.44 C 8.185 -2.711 15.129 1.00 90.44 C 7.187 -2.305 15.730 1.00 90.44 O 10.133 -1.314 15.969 1.00 90.44 C 10.573 -2.507 16.820 1.00 90.44 C 11.381 -0.543 15.516 1.00 90.44 C 8.364 -3.994 14.816 1.00 89.34 N 7.463 -5.062 15.228 1.00 89.34 C 8.240 -6.244 15.819 1.00 89.34 C 9.172 -6.761 15.209 1.00 89.34 O 6.601 -5.480 14.036 1.00 89.34 C 7.801 -6.693 16.995 1.00 88.64 N 8.382 -7.822 17.716 1.00 88.64 C 7.549 -8.223 18.940 1.00 88.64 C 6.528 -7.578 19.222 1.00 88.64 O 7.976 -9.257 19.684 1.00 90.43 N 7.245 -9.839 20.815 1.00 90.43 C 6.793 -8.815 21.856 1.00 90.43 C 5.627 -8.800 22.261 1.00 90.43 O 8.217 -10.850 21.439 1.00 90.43 C 9.075 -11.282 20.257 1.00 90.43 C 9.201 -10.006 19.438 1.00 90.43 C 7.690 -7.903 22.244 1.00 92.16 N 7.412 -6.872 23.253 1.00 92.16 C 6.263 -5.969 22.824 1.00 92.16 C 5.309 -5.778 23.577 1.00 92.16 O 8.671 -6.036 23.527 1.00 92.16 C 8.465 -5.004 24.635 1.00 92.16 C 9.683 -6.911 23.952 1.00 92.16 O 6.309 -5.444 21.598 1.00 93.05 N 5.257 -4.567 21.064 1.00 93.05 C 3.931 -5.325 20.967 1.00 93.05 C 2.887 -4.802 21.351 1.00 93.05 O 5.671 -3.992 19.694 1.00 93.05 C 4.594 -3.072 19.119 1.00 93.05 C 6.962 -3.170 19.802 1.00 93.05 C 3.967 -6.583 20.525 1.00 93.77 N 2.769 -7.411 20.385 1.00 93.77 C 2.096 -7.726 21.722 1.00 93.77 C 0.869 -7.691 21.807 1.00 93.77 O 3.127 -8.699 19.641 1.00 93.77 C 3.420 -8.378 18.178 1.00 93.77 C 3.607 -9.849 17.164 1.00 93.77 S 4.662 -9.150 15.870 1.00 93.77 C 2.864 -7.966 22.791 1.00 93.88 N 2.297 -8.170 24.131 1.00 93.88 C 1.502 -6.946 24.605 1.00 93.88 C 0.366 -7.103 25.052 1.00 93.88 O 3.422 -8.548 25.101 1.00 93.88 C 2.858 -8.928 26.476 1.00 93.88 C 3.987 -9.319 27.430 1.00 93.88 C 3.401 -9.571 28.820 1.00 93.88 C 4.474 -9.845 29.805 1.00 93.88 N1+ 2.050 -5.741 24.427 1.00 94.73 N 1.354 -4.493 24.764 1.00 94.73 C 0.064 -4.315 23.949 1.00 94.73 C -0.973 -3.949 24.505 1.00 94.73 O 2.287 -3.295 24.544 1.00 94.73 C 3.435 -3.230 25.518 1.00 94.73 C 3.430 -2.633 26.750 1.00 94.73 C 4.695 -3.745 25.329 1.00 94.73 N 5.434 -3.462 26.412 1.00 94.73 C 4.704 -2.784 27.306 1.00 94.73 N 0.090 -4.645 22.652 1.00 96.49 N -1.115 -4.639 21.800 1.00 96.49 C -2.181 -5.592 22.342 1.00 96.49 C -3.350 -5.217 22.446 1.00 96.49 O -0.766 -4.997 20.342 1.00 96.49 C -2.014 -5.196 19.476 1.00 96.49 C 0.062 -3.889 19.700 1.00 96.49 C -1.792 -6.809 22.733 1.00 95.61 N -2.709 -7.790 23.315 1.00 95.61 C -3.374 -7.298 24.606 1.00 95.61 C -4.580 -7.479 24.796 1.00 95.61 O -2.618 -6.631 25.478 1.00 95.65 N -3.137 -6.037 26.716 1.00 95.65 C -4.110 -4.881 26.442 1.00 95.65 C -5.192 -4.832 27.039 1.00 95.65 O -1.971 -5.570 27.599 1.00 95.65 C -1.193 -6.758 28.192 1.00 95.65 C 0.064 -6.343 28.975 1.00 95.65 C 0.803 -7.270 29.391 1.00 95.65 O 0.254 -5.125 29.180 1.00 95.65 O1- -3.777 -3.992 25.502 1.00 96.22 N -4.643 -2.883 25.110 1.00 96.22 C -5.966 -3.377 24.495 1.00 96.22 C -7.046 -2.944 24.907 1.00 96.22 O -3.867 -1.972 24.155 1.00 96.22 C -5.911 -4.357 23.588 1.00 96.51 N -7.105 -4.966 22.990 1.00 96.51 C -7.990 -5.659 24.020 1.00 96.51 C -9.217 -5.558 23.954 1.00 96.51 O -6.677 -5.983 21.925 1.00 96.51 C -6.303 -5.299 20.609 1.00 96.51 C -5.600 -6.297 19.714 1.00 96.51 C -7.537 -4.803 19.850 1.00 96.51 C -7.386 -6.334 25.004 1.00 96.32 N -8.131 -6.941 26.108 1.00 96.32 C -8.916 -5.884 26.885 1.00 96.32 C -10.082 -6.126 27.190 1.00 96.32 O -7.162 -7.724 27.000 1.00 96.32 C -7.882 -8.468 28.132 1.00 96.32 C -6.852 -9.179 29.013 1.00 96.32 C -7.532 -9.852 30.209 1.00 96.32 C -6.521 -10.387 31.156 1.00 96.32 N1+ -8.323 -4.719 27.173 1.00 96.07 N -9.024 -3.612 27.848 1.00 96.07 C -10.204 -3.102 27.023 1.00 96.07 C -11.312 -3.047 27.547 1.00 96.07 O -8.063 -2.462 28.171 1.00 96.07 C -7.076 -2.794 29.299 1.00 96.07 C -6.211 -1.558 29.572 1.00 96.07 C -5.274 -1.751 30.768 1.00 96.07 C -4.638 -0.459 31.132 1.00 96.07 N1+ -10.003 -2.826 25.731 1.00 97.62 N -11.082 -2.385 24.823 1.00 97.62 C -12.235 -3.394 24.804 1.00 97.62 C -13.400 -3.030 24.972 1.00 97.62 O -10.539 -2.153 23.398 1.00 97.62 C -11.655 -1.813 22.405 1.00 97.62 C -9.539 -0.989 23.375 1.00 97.62 C -11.920 -4.687 24.677 1.00 97.41 N -12.928 -5.751 24.662 1.00 97.41 C -13.688 -5.861 25.984 1.00 97.41 C -14.902 -6.053 25.976 1.00 97.41 O -12.242 -7.066 24.281 1.00 97.41 C -13.289 -8.139 23.990 1.00 97.41 C -12.642 -9.405 23.438 1.00 97.41 C -13.689 -10.366 23.067 1.00 97.41 N -14.267 -10.516 21.891 1.00 97.41 C -13.917 -9.855 20.832 1.00 97.41 N1+ -15.240 -11.354 21.768 1.00 97.41 N -12.998 -5.743 27.118 1.00 96.28 N -13.633 -5.765 28.438 1.00 96.28 C -14.541 -4.551 28.659 1.00 96.28 C -15.605 -4.717 29.250 1.00 96.28 O -12.564 -5.866 29.535 1.00 96.28 C -11.891 -7.246 29.638 1.00 96.28 C -10.745 -7.173 30.649 1.00 96.28 C -12.857 -8.346 30.091 1.00 96.28 C -14.186 -3.382 28.123 1.00 96.94 N -15.060 -2.201 28.120 1.00 96.94 C -16.346 -2.468 27.347 1.00 96.94 C -17.427 -2.315 27.910 1.00 96.94 O -14.318 -0.977 27.570 1.00 96.94 C -15.197 0.262 27.405 1.00 96.94 C -13.303 -0.660 28.486 1.00 96.94 O -16.271 -2.974 26.111 1.00 97.57 N -17.483 -3.354 25.372 1.00 97.57 C -18.303 -4.420 26.098 1.00 97.57 C -19.530 -4.338 26.140 1.00 97.57 O -17.126 -3.863 23.975 1.00 97.57 C -16.772 -2.782 22.978 1.00 97.57 C -17.671 -1.724 22.740 1.00 97.57 C -15.587 -2.873 22.226 1.00 97.57 C -17.386 -0.761 21.757 1.00 97.57 C -15.314 -1.921 21.228 1.00 97.57 C -16.214 -0.868 20.993 1.00 97.57 C -17.639 -5.403 26.717 1.00 96.82 N -18.324 -6.414 27.522 1.00 96.82 C -19.069 -5.776 28.692 1.00 96.82 C -20.224 -6.133 28.891 1.00 96.82 O -17.333 -7.493 27.980 1.00 96.82 C -18.081 -8.657 28.640 1.00 96.82 C -17.139 -9.807 28.994 1.00 96.82 C -17.766 -10.749 29.942 1.00 96.82 N -18.631 -11.712 29.678 1.00 96.82 C -19.063 -12.000 28.496 1.00 96.82 N1+ -19.138 -12.432 30.633 1.00 96.82 N -18.442 -4.850 29.422 1.00 96.06 N -19.072 -4.122 30.525 1.00 96.06 C -20.312 -3.367 30.041 1.00 96.06 C -21.387 -3.573 30.605 1.00 96.06 O -18.066 -3.178 31.202 1.00 96.06 C -18.676 -2.356 32.325 1.00 96.06 C -19.247 -1.100 32.040 1.00 96.06 C -18.702 -2.851 33.646 1.00 96.06 C -19.851 -0.351 33.064 1.00 96.06 C -19.271 -2.080 34.683 1.00 96.06 C -19.844 -0.821 34.390 1.00 96.06 C -20.383 -0.039 35.361 1.00 96.06 O -20.193 -2.594 28.954 1.00 96.20 N -21.312 -1.859 28.355 1.00 96.20 C -22.478 -2.804 28.033 1.00 96.20 C -23.551 -2.676 28.613 1.00 96.20 O -20.838 -1.106 27.094 1.00 96.20 C -19.799 0.004 27.344 1.00 96.20 C -19.303 0.565 26.014 1.00 96.20 C -20.370 1.143 28.178 1.00 96.20 C -22.242 -3.824 27.200 1.00 95.26 N -23.275 -4.776 26.777 1.00 95.26 C -23.896 -5.542 27.947 1.00 95.26 C -25.087 -5.825 27.945 1.00 95.26 O -22.656 -5.795 25.807 1.00 95.26 C -22.233 -5.242 24.437 1.00 95.26 C -21.579 -6.390 23.667 1.00 95.26 C -23.421 -4.720 23.638 1.00 95.26 C -23.088 -5.909 28.943 1.00 94.94 N -23.545 -6.713 30.075 1.00 94.94 C -24.509 -5.985 31.008 1.00 94.94 C -25.231 -6.641 31.756 1.00 94.94 O -22.339 -7.264 30.829 1.00 94.94 C -21.562 -6.265 31.456 1.00 94.94 O -24.538 -4.655 30.943 1.00 94.13 N -25.433 -3.810 31.725 1.00 94.13 C -26.682 -3.369 30.942 1.00 94.13 C -27.536 -2.674 31.492 1.00 94.13 O -24.607 -2.644 32.279 1.00 94.13 C -23.698 -3.122 33.391 1.00 94.13 C -22.399 -3.082 33.218 1.00 94.13 N -24.152 -3.576 34.424 1.00 94.13 O -26.829 -3.808 29.687 1.00 90.13 N -28.026 -3.605 28.874 1.00 90.13 C -28.891 -4.872 28.930 1.00 90.13 C -28.430 -5.978 28.651 1.00 90.13 O -27.626 -3.220 27.437 1.00 90.13 C -26.719 -1.978 27.323 1.00 90.13 C -26.375 -1.729 25.856 1.00 90.13 C -27.339 -0.712 27.915 1.00 90.13 C -30.160 -4.728 29.305 1.00 80.71 N -31.118 -5.839 29.391 1.00 80.71 C -32.048 -5.854 28.181 1.00 80.71 C -32.264 -4.810 27.577 1.00 80.71 O -31.874 -5.770 30.723 1.00 80.71 C -32.801 -4.542 30.868 1.00 80.71 C -33.078 -4.184 32.324 1.00 80.71 C -33.906 -3.197 32.593 1.00 80.71 N -32.452 -4.694 33.239 1.00 80.71 O -32.630 -7.007 27.829 1.00 74.20 N -33.690 -7.034 26.808 1.00 74.20 C -34.851 -6.146 27.264 1.00 74.20 C -35.317 -6.299 28.390 1.00 74.20 O -34.197 -8.458 26.543 1.00 74.20 C -33.229 -9.301 25.699 1.00 74.20 C -33.958 -10.551 25.182 1.00 74.20 C -33.110 -11.329 24.168 1.00 74.20 C -33.944 -11.817 23.037 1.00 74.20 N1+ -35.298 -5.247 26.398 1.00 69.42 N -36.418 -4.344 26.655 1.00 69.42 C -37.148 -4.118 25.342 1.00 69.42 C -36.485 -3.877 24.346 1.00 69.42 O -35.888 -3.014 27.195 1.00 69.42 C -36.967 -2.164 27.523 1.00 69.42 O -38.476 -4.216 25.312 1.00 61.86 N -39.242 -3.911 24.094 1.00 61.86 C -39.555 -2.411 23.968 1.00 61.86 C -39.635 -1.916 22.853 1.00 61.86 O -40.491 -4.804 24.010 1.00 61.86 C -40.097 -6.263 23.709 1.00 61.86 C -41.279 -7.177 23.391 1.00 61.86 C -41.040 -8.337 22.817 1.00 61.86 N -42.434 -6.909 23.652 1.00 61.86 O -39.595 -1.676 25.087 1.00 63.04 N -40.060 -0.277 25.131 1.00 63.04 C -38.970 0.709 25.593 1.00 63.04 C -39.226 1.634 26.371 1.00 63.04 O -41.316 -0.184 26.013 1.00 63.04 C -42.437 -1.121 25.568 1.00 63.04 C -42.659 -1.236 24.345 1.00 63.04 O -43.034 -1.746 26.472 1.00 63.04 O1- -37.709 0.494 25.197 1.00 69.65 N -36.636 1.392 25.632 1.00 69.65 C -36.450 2.579 24.684 1.00 69.65 C -35.879 2.434 23.610 1.00 69.65 O -35.317 0.658 25.892 1.00 69.65 C -34.438 1.468 26.824 1.00 69.65 C -33.712 2.572 26.340 1.00 69.65 C -34.444 1.193 28.205 1.00 69.65 C -33.026 3.402 27.242 1.00 69.65 C -33.698 1.988 29.092 1.00 69.65 C -32.987 3.099 28.608 1.00 69.65 C -36.818 3.772 25.153 1.00 78.28 N -36.387 5.037 24.555 1.00 78.28 C -35.238 5.633 25.375 1.00 78.28 C -35.348 5.710 26.608 1.00 78.28 O -37.586 5.993 24.438 1.00 78.28 C -38.606 5.506 23.423 1.00 78.28 C -39.866 5.823 23.599 1.00 78.28 N -38.292 4.844 22.455 1.00 78.28 O -34.165 6.063 24.699 1.00 86.02 N -33.118 6.876 25.327 1.00 86.02 C -33.761 8.129 25.936 1.00 86.02 C -34.634 8.745 25.324 1.00 86.02 O -32.010 7.262 24.323 1.00 86.02 C -31.169 6.113 23.731 1.00 86.02 C -30.030 6.678 22.882 1.00 86.02 C -30.481 5.216 24.760 1.00 86.02 C -33.360 8.463 27.162 1.00 90.01 N -33.798 9.697 27.805 1.00 90.01 C -33.107 10.904 27.143 1.00 90.01 C -31.943 10.778 26.755 1.00 90.01 O -33.500 9.645 29.313 1.00 90.01 C -34.249 8.544 30.084 1.00 90.01 C -33.762 8.515 31.532 1.00 90.01 C -35.765 8.756 30.091 1.00 90.01 C -33.781 12.065 27.042 1.00 90.66 N -33.128 13.324 26.690 1.00 90.66 C -31.955 13.623 27.632 1.00 90.66 C -32.016 13.280 28.817 1.00 90.66 O -34.213 14.401 26.789 1.00 90.66 C -35.517 13.621 26.635 1.00 90.66 C -35.197 12.280 27.287 1.00 90.66 C -30.901 14.270 27.122 1.00 90.76 N -29.665 14.534 27.881 1.00 90.76 C -29.965 15.365 29.137 1.00 90.76 C -29.400 15.110 30.198 1.00 90.76 O -28.599 15.200 26.973 1.00 90.76 C -28.155 14.192 25.882 1.00 90.76 C -27.382 15.682 27.789 1.00 90.76 C -27.130 14.729 24.874 1.00 90.76 C -30.924 16.285 29.058 1.00 90.87 N -31.342 17.168 30.150 1.00 90.87 C -32.025 16.405 31.293 1.00 90.87 C -32.060 16.878 32.426 1.00 90.87 O -32.319 18.243 29.633 1.00 90.87 C -31.869 19.016 28.379 1.00 90.87 C -31.970 18.208 27.071 1.00 90.87 C -31.304 18.600 26.095 1.00 90.87 O -32.653 17.153 27.062 1.00 90.87 O1- -32.565 15.216 31.007 1.00 92.45 N -33.158 14.327 32.006 1.00 92.45 C -32.135 13.373 32.625 1.00 92.45 C -32.501 12.569 33.484 1.00 92.45 O -34.314 13.522 31.398 1.00 92.45 C -35.467 14.406 30.917 1.00 92.45 C -36.653 13.593 30.412 1.00 92.45 C -37.612 14.238 29.787 1.00 92.45 N -36.756 12.382 30.552 1.00 92.45 O -30.874 13.400 32.192 1.00 93.65 N -29.808 12.615 32.804 1.00 93.65 C -29.274 13.322 34.050 1.00 93.65 C -29.378 14.540 34.184 1.00 93.65 O -28.700 12.324 31.782 1.00 93.65 C -29.175 11.628 30.497 1.00 93.65 C -27.976 11.374 29.588 1.00 93.65 C -29.849 10.285 30.790 1.00 93.65 C -28.677 12.561 34.970 1.00 93.20 N -28.063 13.138 36.174 1.00 93.20 C -26.838 13.953 35.792 1.00 93.20 C -26.217 13.711 34.757 1.00 93.20 O -27.679 12.049 37.176 1.00 93.20 C -28.884 11.173 37.548 1.00 93.20 C -28.477 10.005 38.438 1.00 93.20 C -27.494 9.159 37.739 1.00 93.20 N -26.461 8.566 38.286 1.00 93.20 C -26.306 8.536 39.582 1.00 93.20 N1+ -25.557 8.034 37.515 1.00 93.20 N -26.414 14.862 36.663 1.00 93.10 N -25.286 15.761 36.367 1.00 93.10 C -23.989 15.016 36.032 1.00 93.10 C -23.309 15.373 35.075 1.00 93.10 O -25.102 16.721 37.542 1.00 93.10 C -26.291 17.694 37.640 1.00 93.10 C -26.221 18.557 38.897 1.00 93.10 C -24.922 19.228 39.029 1.00 93.10 N -24.528 20.384 38.552 1.00 93.10 C -25.308 21.156 37.847 1.00 93.10 N1+ -23.320 20.774 38.822 1.00 93.10 N -23.699 13.916 36.731 1.00 94.30 N -22.533 13.059 36.438 1.00 94.30 C -22.632 12.334 35.091 1.00 94.30 C -21.628 12.120 34.412 1.00 94.30 O -22.307 12.059 37.584 1.00 94.30 C -23.417 11.002 37.728 1.00 94.30 C -20.957 11.359 37.432 1.00 94.30 C -23.848 11.974 34.683 1.00 94.84 N -24.112 11.341 33.395 1.00 94.84 C -23.899 12.366 32.266 1.00 94.84 C -23.184 12.080 31.307 1.00 94.84 O -25.541 10.771 33.395 1.00 94.84 C -25.807 9.650 34.413 1.00 94.84 C -24.939 8.777 34.629 1.00 94.84 O -26.904 9.613 35.013 1.00 94.84 O1- -24.424 13.588 32.424 1.00 94.85 N -24.211 14.701 31.490 1.00 94.85 C -22.726 15.076 31.368 1.00 94.85 C -22.213 15.204 30.257 1.00 94.85 O -25.021 15.930 31.931 1.00 94.85 C -26.542 15.711 31.897 1.00 94.85 C -27.311 16.977 32.263 1.00 94.85 C -28.441 16.883 32.924 1.00 94.85 N -26.895 18.086 31.979 1.00 94.85 O -22.007 15.169 32.493 1.00 94.74 N -20.558 15.388 32.510 1.00 94.74 C -19.801 14.300 31.734 1.00 94.74 C -18.914 14.586 30.930 1.00 94.74 O -20.073 15.424 33.964 1.00 94.74 C -18.570 15.564 34.072 1.00 94.74 C -17.753 14.451 34.365 1.00 94.74 C -17.989 16.816 33.817 1.00 94.74 C -16.352 14.606 34.433 1.00 94.74 C -16.596 16.968 33.867 1.00 94.74 C -15.775 15.874 34.201 1.00 94.74 C -14.435 16.068 34.302 1.00 94.74 O -20.190 13.037 31.920 1.00 95.69 N -19.578 11.911 31.204 1.00 95.69 C -19.829 12.003 29.698 1.00 95.69 C -18.919 11.753 28.908 1.00 95.69 O -20.098 10.578 31.752 1.00 95.69 C -19.438 9.370 31.085 1.00 95.69 C -19.810 10.503 33.128 1.00 95.69 O -21.036 12.394 29.276 1.00 95.39 N -21.338 12.605 27.857 1.00 95.39 C -20.556 13.775 27.257 1.00 95.39 C -20.115 13.668 26.114 1.00 95.39 O -22.847 12.798 27.643 1.00 95.39 C -23.708 11.563 27.944 1.00 95.39 C -25.146 11.827 27.506 1.00 95.39 C -23.223 10.301 27.228 1.00 95.39 C -20.308 14.835 28.027 1.00 95.03 N -19.412 15.913 27.612 1.00 95.03 C -17.986 15.397 27.354 1.00 95.03 C -17.444 15.627 26.274 1.00 95.03 O -19.438 17.034 28.654 1.00 95.03 C -18.400 18.102 28.391 1.00 95.03 C -17.135 18.022 29.000 1.00 95.03 C -18.686 19.154 27.505 1.00 95.03 C -16.149 18.978 28.688 1.00 95.03 C -17.713 20.124 27.211 1.00 95.03 C -16.430 20.021 27.781 1.00 95.03 C -15.451 20.883 27.408 1.00 95.03 O -17.404 14.608 28.271 1.00 95.23 N -16.071 13.997 28.065 1.00 95.23 C -16.025 13.052 26.861 1.00 95.23 C -15.030 13.010 26.135 1.00 95.23 O -15.598 13.279 29.348 1.00 95.23 C -15.334 14.200 30.555 1.00 95.23 C -14.384 15.347 30.193 1.00 95.23 C -14.043 16.245 31.376 1.00 95.23 C -13.289 17.445 30.938 1.00 95.23 N1+ -17.123 12.347 26.586 1.00 96.48 N -17.272 11.553 25.360 1.00 96.48 C -17.292 12.446 24.112 1.00 96.48 C -16.691 12.071 23.102 1.00 96.48 O -18.528 10.658 25.446 1.00 96.48 C -18.357 9.532 26.487 1.00 96.48 C -18.910 10.056 24.082 1.00 96.48 C -17.465 8.366 26.036 1.00 96.48 C -17.948 13.610 24.155 1.00 95.35 N -17.936 14.555 23.040 1.00 95.35 C -16.525 15.121 22.790 1.00 95.35 C -16.061 15.089 21.650 1.00 95.35 O -18.997 15.652 23.239 1.00 95.35 C -19.192 16.410 21.934 1.00 95.35 C -18.805 17.665 21.893 1.00 95.35 N -19.595 15.829 20.931 1.00 95.35 O -15.787 15.501 23.843 1.00 94.75 N -14.377 15.924 23.731 1.00 94.75 C -13.504 14.832 23.080 1.00 94.75 C -12.677 15.104 22.198 1.00 94.75 O -13.785 16.274 25.116 1.00 94.75 C -14.370 17.545 25.749 1.00 94.75 C -13.611 17.996 27.016 1.00 94.75 C -13.210 19.178 27.086 1.00 94.75 O -13.466 17.203 27.980 1.00 94.75 O1- -13.713 13.567 23.467 1.00 97.67 N -13.042 12.419 22.855 1.00 97.67 C -13.389 12.291 21.361 1.00 97.67 C -12.491 12.061 20.542 1.00 97.67 O -13.403 11.143 23.644 1.00 97.67 C -12.910 9.842 22.988 1.00 97.67 C -11.387 9.715 23.019 1.00 97.67 C -13.522 8.615 23.658 1.00 97.67 C -14.667 12.409 20.991 1.00 97.38 N -15.124 12.321 19.600 1.00 97.38 C -14.503 13.422 18.736 1.00 97.38 C -14.008 13.133 17.648 1.00 97.38 O -16.661 12.408 19.546 1.00 97.38 C -17.372 11.111 19.960 1.00 97.38 C -18.832 11.406 20.299 1.00 97.38 C -17.343 10.083 18.823 1.00 97.38 C -14.480 14.663 19.212 1.00 96.16 N -13.880 15.789 18.492 1.00 96.16 C -12.372 15.601 18.306 1.00 96.16 C -11.873 15.614 17.176 1.00 96.16 O -14.194 17.094 19.229 1.00 96.16 C -15.682 17.445 19.080 1.00 96.16 C -16.092 18.714 19.834 1.00 96.16 C -17.286 19.062 19.696 1.00 96.16 O -15.225 19.316 20.502 1.00 96.16 O1- -11.658 15.294 19.390 1.00 97.70 N -10.200 15.106 19.365 1.00 97.70 C -9.790 13.949 18.448 1.00 97.70 C -8.848 14.051 17.655 1.00 97.70 O -9.676 14.840 20.784 1.00 97.70 C -8.149 14.752 20.822 1.00 97.70 C -10.030 15.881 21.655 1.00 97.70 O -10.499 12.820 18.517 1.00 98.34 N -10.200 11.659 17.664 1.00 98.34 C -10.556 11.913 16.202 1.00 98.34 C -9.806 11.479 15.323 1.00 98.34 O -10.877 10.375 18.150 1.00 98.34 C -10.293 9.884 19.473 1.00 98.34 C -12.257 10.552 18.309 1.00 98.34 O -11.629 12.665 15.916 1.00 97.10 N -11.980 13.101 14.557 1.00 97.10 C -10.855 13.932 13.944 1.00 97.10 C -10.430 13.633 12.828 1.00 97.10 O -13.315 13.864 14.602 1.00 97.10 C -13.883 14.177 13.213 1.00 97.10 C -15.168 15.015 13.289 1.00 97.10 C -16.284 14.289 13.938 1.00 97.10 N -16.907 14.609 15.067 1.00 97.10 C -16.581 15.644 15.790 1.00 97.10 N1+ -17.906 13.887 15.494 1.00 97.10 N -10.304 14.895 14.683 1.00 98.03 N -9.146 15.665 14.218 1.00 98.03 C -7.927 14.785 13.924 1.00 98.03 C -7.216 14.988 12.936 1.00 98.03 O -8.678 16.658 15.276 1.00 98.03 C -9.582 17.872 15.486 1.00 98.03 C -8.837 18.948 16.288 1.00 98.03 C -9.516 19.841 16.822 1.00 98.03 O -7.569 18.935 16.252 1.00 98.03 O1- -7.646 13.810 14.791 1.00 98.41 N -6.528 12.896 14.590 1.00 98.41 C -6.713 12.033 13.339 1.00 98.41 C -5.760 11.897 12.573 1.00 98.41 O -6.308 12.053 15.847 1.00 98.41 C -5.774 12.826 17.024 1.00 98.41 C -5.890 12.480 18.342 1.00 98.41 C -5.103 14.028 16.977 1.00 98.41 N -4.836 14.399 18.239 1.00 98.41 C -5.252 13.465 19.100 1.00 98.41 N -7.919 11.525 13.069 1.00 98.34 N -8.219 10.824 11.816 1.00 98.34 C -8.019 11.712 10.583 1.00 98.34 C -7.352 11.288 9.639 1.00 98.34 O -9.651 10.278 11.838 1.00 98.34 C -9.790 8.916 12.482 1.00 98.34 C -9.193 7.802 11.865 1.00 98.34 C -10.557 8.746 13.650 1.00 98.34 C -9.341 6.523 12.426 1.00 98.34 C -10.740 7.460 14.194 1.00 98.34 C -10.130 6.348 13.578 1.00 98.34 C -10.320 5.098 14.061 1.00 98.34 O -8.515 12.954 10.605 1.00 96.56 N -8.341 13.922 9.508 1.00 96.56 C -6.864 14.245 9.228 1.00 96.56 C -6.486 14.532 8.093 1.00 96.56 O -9.071 15.223 9.862 1.00 96.56 C -10.598 15.076 9.838 1.00 96.56 C -11.315 16.293 10.414 1.00 96.56 C -12.611 16.405 10.226 1.00 96.56 N -10.731 17.161 11.039 1.00 96.56 O -6.017 14.181 10.262 1.00 96.63 N -4.561 14.381 10.182 1.00 96.63 C -3.784 13.068 9.958 1.00 96.63 C -2.559 13.077 10.061 1.00 96.63 O -4.095 15.158 11.434 1.00 96.63 C -4.646 16.601 11.501 1.00 96.63 C -4.453 17.252 12.888 1.00 96.63 C -5.108 18.650 12.943 1.00 96.63 C -5.369 19.164 14.327 1.00 96.63 N1+ -4.468 11.952 9.683 1.00 97.61 N -3.905 10.599 9.544 1.00 97.61 C -3.050 10.143 10.738 1.00 97.61 C -2.071 9.421 10.582 1.00 97.61 O -3.172 10.436 8.204 1.00 97.61 C -3.940 10.932 7.001 1.00 97.61 C -5.149 10.314 6.633 1.00 97.61 C -3.453 12.022 6.259 1.00 97.61 C -5.865 10.774 5.512 1.00 97.61 C -4.172 12.481 5.143 1.00 97.61 C -5.376 11.858 4.756 1.00 97.61 C -6.066 12.274 3.661 1.00 97.61 O -3.389 10.573 11.952 1.00 97.32 N -2.651 10.241 13.165 1.00 97.32 C -3.373 9.166 13.989 1.00 97.32 C -3.899 9.424 15.073 1.00 97.32 O -2.316 11.528 13.928 1.00 97.32 C -1.158 11.279 14.873 1.00 97.32 C -0.314 12.258 15.090 1.00 97.32 N -0.939 10.198 15.382 1.00 97.32 O -3.406 7.945 13.457 1.00 98.30 N -4.123 6.819 14.069 1.00 98.30 C -3.530 6.396 15.421 1.00 98.30 C -4.264 5.947 16.301 1.00 98.30 O -4.152 5.641 13.085 1.00 98.30 C -4.498 6.022 11.655 1.00 98.30 C -5.611 6.843 11.382 1.00 98.30 C -3.670 5.599 10.597 1.00 98.30 C -5.874 7.260 10.065 1.00 98.30 C -3.950 6.002 9.280 1.00 98.30 C -5.042 6.839 9.018 1.00 98.30 C -2.229 6.619 15.636 1.00 97.52 N -1.595 6.326 16.921 1.00 97.52 C -2.132 7.239 18.016 1.00 97.52 C -2.501 6.760 19.089 1.00 97.52 O -0.074 6.420 16.818 1.00 97.52 C 0.356 7.728 16.501 1.00 97.52 O -2.283 8.538 17.727 1.00 98.09 N -2.922 9.475 18.654 1.00 98.09 C -4.395 9.156 18.893 1.00 98.09 C -4.829 9.291 20.029 1.00 98.09 O -2.743 10.925 18.206 1.00 98.09 C -1.314 11.431 18.437 1.00 98.09 C -1.271 12.950 18.241 1.00 98.09 C 0.159 13.461 18.429 1.00 98.09 C 0.199 14.943 18.477 1.00 98.09 N1+ -5.142 8.659 17.898 1.00 98.67 N -6.518 8.164 18.127 1.00 98.67 C -6.530 7.105 19.235 1.00 98.67 C -7.292 7.222 20.194 1.00 98.67 O -7.169 7.587 16.848 1.00 98.67 C -8.545 6.968 17.123 1.00 98.67 C -7.356 8.656 15.769 1.00 98.67 C -5.660 6.094 19.136 1.00 98.35 N -5.601 5.007 20.115 1.00 98.35 C -5.072 5.453 21.482 1.00 98.35 C -5.529 4.932 22.497 1.00 98.35 O -4.749 3.856 19.558 1.00 98.35 C -5.377 3.127 18.358 1.00 98.35 C -4.418 2.037 17.892 1.00 98.35 C -6.721 2.482 18.708 1.00 98.35 C -4.129 6.397 21.532 1.00 97.98 N -3.618 6.958 22.792 1.00 97.98 C -4.728 7.727 23.519 1.00 97.98 C -4.994 7.441 24.688 1.00 97.98 O -2.370 7.833 22.533 1.00 97.98 C -1.177 6.945 22.105 1.00 97.98 C -1.986 8.652 23.781 1.00 97.98 C -0.022 7.728 21.468 1.00 97.98 C -5.416 8.642 22.829 1.00 98.34 N -6.506 9.444 23.407 1.00 98.34 C -7.654 8.551 23.883 1.00 98.34 C -8.136 8.703 25.005 1.00 98.34 O -7.008 10.485 22.391 1.00 98.34 C -8.021 11.456 22.989 1.00 98.34 C -5.922 11.272 21.956 1.00 98.34 O -8.035 7.545 23.087 1.00 98.45 N -9.056 6.568 23.472 1.00 98.45 C -8.661 5.766 24.719 1.00 98.45 C -9.492 5.550 25.600 1.00 98.45 O -9.288 5.618 22.289 1.00 98.45 C -10.390 4.578 22.555 1.00 98.45 C -11.782 5.199 22.468 1.00 98.45 C -10.281 3.457 21.537 1.00 98.45 C -7.414 5.292 24.796 1.00 97.52 N -6.934 4.530 25.950 1.00 97.52 C -6.905 5.383 27.217 1.00 97.52 C -7.285 4.889 28.278 1.00 97.52 O -5.528 3.987 25.688 1.00 97.52 C -5.513 2.726 24.823 1.00 97.52 C -4.067 2.349 24.544 1.00 97.52 C -3.555 2.600 23.365 1.00 97.52 N -3.347 1.886 25.408 1.00 97.52 O -6.471 6.642 27.119 1.00 97.70 N -6.510 7.576 28.242 1.00 97.70 C -7.945 7.739 28.754 1.00 97.70 C -8.207 7.472 29.926 1.00 97.70 O -5.901 8.918 27.817 1.00 97.70 C -5.916 9.950 28.926 1.00 97.70 C -7.053 10.759 29.120 1.00 97.70 C -4.806 10.080 29.784 1.00 97.70 C -7.092 11.679 30.183 1.00 97.70 C -4.835 11.020 30.835 1.00 97.70 C -5.983 11.818 31.038 1.00 97.70 C -6.029 12.706 32.060 1.00 97.70 O -8.883 8.055 27.856 1.00 98.08 N -10.295 8.215 28.201 1.00 98.08 C -10.897 6.929 28.799 1.00 98.08 C -11.571 6.959 29.826 1.00 98.08 O -11.045 8.665 26.941 1.00 98.08 C -12.506 8.902 27.203 1.00 98.08 C -13.116 10.108 27.430 1.00 98.08 C -13.472 7.928 27.323 1.00 98.08 N -14.617 8.530 27.667 1.00 98.08 C -14.459 9.853 27.711 1.00 98.08 N -10.614 5.764 28.203 1.00 97.61 N -11.087 4.470 28.705 1.00 97.61 C -10.604 4.206 30.135 1.00 97.61 C -11.399 3.773 30.969 1.00 97.61 O -10.636 3.360 27.732 1.00 97.61 C -11.106 1.927 28.069 1.00 97.61 C -10.982 1.057 26.813 1.00 97.61 C -10.274 1.212 29.142 1.00 97.61 C -9.314 4.410 30.411 1.00 96.11 N -8.747 4.091 31.719 1.00 96.11 C -9.191 5.102 32.790 1.00 96.11 C -9.591 4.672 33.868 1.00 96.11 O -7.213 3.995 31.631 1.00 96.11 C -6.680 2.821 30.815 1.00 96.11 C -5.803 3.087 29.879 1.00 96.11 N -6.959 1.645 31.023 1.00 96.11 O -9.145 6.405 32.493 1.00 95.70 N -9.319 7.460 33.496 1.00 95.70 C -10.781 7.903 33.646 1.00 95.70 C -11.317 7.840 34.747 1.00 95.70 O -8.382 8.630 33.158 1.00 95.70 C -6.923 8.213 33.147 1.00 95.70 C -6.169 8.650 32.172 1.00 95.70 N -6.431 7.463 33.973 1.00 95.70 O -11.446 8.265 32.547 1.00 95.80 N -12.811 8.818 32.591 1.00 95.80 C -13.865 7.723 32.805 1.00 95.80 C -14.808 7.874 33.582 1.00 95.80 O -13.116 9.590 31.291 1.00 95.80 C -12.084 10.669 30.926 1.00 95.80 C -11.866 11.710 32.030 1.00 95.80 C -10.735 12.242 32.073 1.00 95.80 O -12.806 11.932 32.823 1.00 95.80 O1- -13.696 6.573 32.141 1.00 97.25 N -14.662 5.477 32.233 1.00 97.25 C -14.323 4.487 33.344 1.00 97.25 C -15.082 4.351 34.298 1.00 97.25 O -14.846 4.780 30.879 1.00 97.25 C -15.370 5.688 29.756 1.00 97.25 C -15.617 4.820 28.522 1.00 97.25 C -16.679 6.391 30.117 1.00 97.25 C -13.217 3.750 33.222 1.00 95.26 N -12.958 2.608 34.102 1.00 95.26 C -12.681 3.012 35.548 1.00 95.26 C -13.150 2.315 36.446 1.00 95.26 O -11.792 1.766 33.583 1.00 95.26 C -11.679 0.583 34.357 1.00 95.26 O -11.886 4.062 35.771 1.00 93.64 N -11.502 4.506 37.111 1.00 93.64 C -12.568 5.380 37.788 1.00 93.64 C -12.605 5.427 39.013 1.00 93.64 O -10.156 5.232 37.019 1.00 93.64 C -13.433 6.039 37.010 1.00 95.27 N -14.453 6.947 37.528 1.00 95.27 C -15.871 6.453 37.222 1.00 95.27 C -16.496 5.812 38.071 1.00 95.27 O -14.155 8.372 37.040 1.00 95.27 C -15.161 9.404 37.505 1.00 95.27 C -15.898 10.157 36.570 1.00 95.27 C -15.361 9.610 38.883 1.00 95.27 C -16.828 11.113 37.015 1.00 95.27 C -16.296 10.560 39.325 1.00 95.27 C -17.025 11.316 38.392 1.00 95.27 C -16.381 6.695 36.009 1.00 97.45 N -17.810 6.551 35.722 1.00 97.45 C -18.353 5.124 35.911 1.00 97.45 C -19.404 4.918 36.522 1.00 97.45 O -18.095 7.044 34.301 1.00 97.45 C -19.576 7.041 33.996 1.00 97.45 C -20.130 6.097 33.109 1.00 97.45 C -20.406 7.973 34.646 1.00 97.45 C -21.520 6.085 32.885 1.00 97.45 C -21.791 7.968 34.417 1.00 97.45 C -22.350 7.012 33.547 1.00 97.45 C -23.689 6.970 33.347 1.00 97.45 O -17.641 4.108 35.420 1.00 96.63 N -18.046 2.709 35.574 1.00 96.63 C -17.976 2.236 37.017 1.00 96.63 C -18.671 1.281 37.359 1.00 96.63 O -17.156 1.790 34.729 1.00 96.63 C -17.295 1.877 33.223 1.00 96.63 C -18.333 2.602 32.600 1.00 96.63 C -16.374 1.168 32.434 1.00 96.63 C -18.441 2.617 31.200 1.00 96.63 C -16.480 1.184 31.036 1.00 96.63 C -17.514 1.908 30.417 1.00 96.63 C -17.135 2.839 37.851 1.00 93.18 N -17.008 2.427 39.240 1.00 93.18 C -18.173 2.961 40.076 1.00 93.18 C -18.893 2.168 40.686 1.00 93.18 O -15.623 2.811 39.770 1.00 93.18 C -15.237 1.926 40.952 1.00 93.18 C -15.408 0.682 40.819 1.00 93.18 O -14.756 2.478 41.956 1.00 93.18 O1- -18.460 4.264 39.969 1.00 94.22 N -19.596 4.903 40.656 1.00 94.22 C -20.950 4.354 40.176 1.00 94.22 C -21.892 4.209 40.951 1.00 94.22 O -19.529 6.445 40.526 1.00 94.22 C -19.718 6.922 39.071 1.00 94.22 C -18.212 6.977 41.123 1.00 94.22 C -19.767 8.438 38.904 1.00 94.22 C -21.049 3.961 38.902 1.00 95.13 N -22.304 3.477 38.313 1.00 95.13 C -22.689 2.058 38.746 1.00 95.13 C -23.851 1.671 38.600 1.00 95.13 O -22.215 3.534 36.789 1.00 95.13 C -22.108 4.871 36.354 1.00 95.13 O -21.751 1.254 39.276 1.00 94.09 N -22.008 -0.153 39.652 1.00 94.09 C -23.115 -0.285 40.683 1.00 94.09 C -23.955 -1.172 40.550 1.00 94.09 O -20.746 -0.795 40.241 1.00 94.09 C -19.760 -1.240 39.162 1.00 94.09 C -18.367 -1.422 39.768 1.00 94.09 C -17.297 -1.579 38.689 1.00 94.09 C -15.951 -1.467 39.302 1.00 94.09 N1+ -23.110 0.567 41.706 1.00 92.63 N -24.086 0.455 42.789 1.00 92.63 C -25.508 0.672 42.261 1.00 92.63 C -26.386 -0.150 42.510 1.00 92.63 O -23.736 1.418 43.927 1.00 92.63 C -24.679 1.227 45.117 1.00 92.63 C -24.980 0.074 45.510 1.00 92.63 O -25.168 2.226 45.684 1.00 92.63 O1- -25.713 1.689 41.424 1.00 94.02 N -27.000 1.943 40.764 1.00 94.02 C -27.384 0.779 39.851 1.00 94.02 C -28.499 0.262 39.931 1.00 94.02 O -26.918 3.247 39.954 1.00 94.02 C -26.679 4.442 40.893 1.00 94.02 C -28.177 3.466 39.093 1.00 94.02 C -26.121 5.608 40.094 1.00 94.02 C -26.465 0.344 38.983 1.00 94.51 N -26.738 -0.700 37.995 1.00 94.51 C -27.124 -2.029 38.648 1.00 94.51 C -28.009 -2.714 38.127 1.00 94.51 O -25.509 -0.883 37.088 1.00 94.51 C -25.343 0.239 36.049 1.00 94.51 C -23.957 0.143 35.412 1.00 94.51 C -26.401 0.143 34.942 1.00 94.51 C -26.471 -2.389 39.759 1.00 94.32 N -26.597 -3.706 40.387 1.00 94.32 C -27.629 -3.723 41.514 1.00 94.32 C -28.329 -4.728 41.674 1.00 94.32 O -25.232 -4.177 40.919 1.00 94.32 C -24.078 -4.238 39.930 1.00 94.32 C -24.278 -4.103 38.541 1.00 94.32 C -22.768 -4.397 40.426 1.00 94.32 C -23.179 -4.047 37.674 1.00 94.32 C -21.669 -4.418 39.547 1.00 94.32 C -21.875 -4.231 38.164 1.00 94.32 C -20.817 -4.247 37.310 1.00 94.32 O -27.723 -2.641 42.292 1.00 92.81 N -28.543 -2.583 43.502 1.00 92.81 C -29.929 -1.985 43.258 1.00 92.81 C -30.869 -2.409 43.930 1.00 92.81 O -27.841 -1.800 44.622 1.00 92.81 C -26.548 -2.305 44.909 1.00 92.81 O -30.115 -1.050 42.324 1.00 90.93 N -31.433 -0.429 42.146 1.00 90.93 C -32.428 -1.368 41.445 1.00 90.93 C -32.044 -2.347 40.798 1.00 90.93 O -31.327 0.933 41.444 1.00 90.93 C -30.625 1.998 42.267 1.00 90.93 C -30.760 3.242 41.876 1.00 90.93 N -29.996 1.740 43.280 1.00 90.93 O -33.722 -1.054 41.563 1.00 89.25 N -34.789 -1.730 40.820 1.00 89.25 C -34.537 -1.663 39.307 1.00 89.25 C -34.001 -0.678 38.785 1.00 89.25 O -36.148 -1.088 41.129 1.00 89.25 C -36.677 -1.363 42.547 1.00 89.25 C -37.883 -0.489 42.886 1.00 89.25 C -38.359 -0.498 44.108 1.00 89.25 N -38.394 0.215 42.035 1.00 89.25 O -34.968 -2.710 38.597 1.00 86.25 N -34.746 -2.883 37.153 1.00 86.25 C -35.334 -1.738 36.316 1.00 86.25 C -34.772 -1.404 35.272 1.00 86.25 O -35.275 -4.281 36.720 1.00 86.25 C -34.081 -5.102 36.205 1.00 86.25 C -36.425 -4.253 35.692 1.00 86.25 C -34.375 -6.582 35.939 1.00 86.25 C -36.435 -1.158 36.797 1.00 85.00 N -37.231 -0.088 36.190 1.00 85.00 C -36.917 1.304 36.752 1.00 85.00 C -37.506 2.281 36.296 1.00 85.00 O -38.718 -0.410 36.415 1.00 85.00 C -38.907 -0.765 37.776 1.00 85.00 O -36.004 1.422 37.725 1.00 90.27 N -35.726 2.709 38.376 1.00 90.27 C -35.164 3.752 37.404 1.00 90.27 C -34.346 3.438 36.532 1.00 90.27 O -34.794 2.561 39.584 1.00 90.27 C -33.513 2.099 39.202 1.00 90.27 O -35.559 5.016 37.602 1.00 91.56 N -35.106 6.140 36.778 1.00 91.56 C -33.579 6.279 36.799 1.00 91.56 C -32.970 6.316 35.735 1.00 91.56 O -35.803 7.431 37.245 1.00 91.56 C -35.377 8.691 36.463 1.00 91.56 C -35.690 8.580 34.968 1.00 91.56 C -36.098 9.913 37.024 1.00 91.56 C -32.959 6.244 37.984 1.00 92.15 N -31.503 6.316 38.136 1.00 92.15 C -30.775 5.251 37.303 1.00 92.15 C -29.793 5.534 36.618 1.00 92.15 O -31.161 6.189 39.624 1.00 92.15 C -31.293 4.017 37.299 1.00 92.39 N -30.714 2.942 36.493 1.00 92.39 C -30.905 3.188 34.998 1.00 92.39 C -29.972 2.963 34.229 1.00 92.39 O -31.285 1.606 36.969 1.00 92.39 C -30.550 0.448 36.306 1.00 92.39 C -30.980 -0.874 36.938 1.00 92.39 C -30.348 -1.999 36.236 1.00 92.39 N -30.766 -2.498 35.088 1.00 92.39 C -31.777 -1.991 34.442 1.00 92.39 N1+ -30.204 -3.556 34.585 1.00 92.39 N -32.075 3.682 34.586 1.00 91.70 N -32.367 4.040 33.190 1.00 91.70 C -31.487 5.189 32.682 1.00 91.70 C -31.046 5.136 31.533 1.00 91.70 O -33.863 4.370 33.072 1.00 91.70 C -34.263 4.599 31.613 1.00 91.70 C -35.771 4.775 31.460 1.00 91.70 C -36.136 4.996 30.049 1.00 91.70 N -37.360 5.150 29.580 1.00 91.70 C -38.411 5.081 30.351 1.00 91.70 N1+ -37.547 5.384 28.316 1.00 91.70 N -31.205 6.185 33.520 1.00 94.30 N -30.300 7.296 33.209 1.00 94.30 C -28.886 6.778 32.929 1.00 94.30 C -28.370 7.000 31.837 1.00 94.30 O -30.307 8.316 34.359 1.00 94.30 C -31.621 9.114 34.450 1.00 94.30 C -31.745 9.870 35.771 1.00 94.30 C -32.119 11.123 35.774 1.00 94.30 N -31.515 9.340 36.843 1.00 94.30 O -28.321 5.961 33.827 1.00 95.47 N -27.004 5.336 33.605 1.00 95.47 C -26.989 4.510 32.319 1.00 95.47 C -26.086 4.651 31.501 1.00 95.47 O -26.589 4.456 34.798 1.00 95.47 C -25.273 3.713 34.539 1.00 95.47 C -26.372 5.296 36.056 1.00 95.47 C -27.991 3.654 32.096 1.00 93.81 N -28.039 2.829 30.885 1.00 93.81 C -28.123 3.665 29.600 1.00 93.81 C -27.496 3.297 28.608 1.00 93.81 O -29.219 1.860 30.942 1.00 93.81 C -29.033 0.742 31.972 1.00 93.81 C -30.247 -0.176 31.999 1.00 93.81 C -30.068 -1.460 31.793 1.00 93.81 N -31.386 0.218 32.190 1.00 93.81 O -28.838 4.793 29.627 1.00 92.52 N -28.880 5.748 28.508 1.00 92.52 C -27.470 6.257 28.196 1.00 92.52 C -27.015 6.152 27.056 1.00 92.52 O -29.843 6.910 28.811 1.00 92.52 C -29.931 7.916 27.670 1.00 92.52 C -31.144 6.396 29.030 1.00 92.52 O -26.717 6.681 29.214 1.00 95.14 N -25.311 7.094 29.071 1.00 95.14 C -24.431 5.979 28.506 1.00 95.14 C -23.643 6.216 27.590 1.00 95.14 O -24.741 7.524 30.425 1.00 95.14 C -23.412 8.268 30.312 1.00 95.14 C -25.648 8.386 31.047 1.00 95.14 O -24.582 4.737 28.988 1.00 95.51 N -23.813 3.590 28.484 1.00 95.51 C -24.042 3.340 26.985 1.00 95.51 C -23.107 2.938 26.291 1.00 95.51 O -24.135 2.308 29.276 1.00 95.51 C -23.786 2.304 30.776 1.00 95.51 C -24.087 0.918 31.349 1.00 95.51 C -22.330 2.643 31.090 1.00 95.51 C -25.249 3.587 26.468 1.00 92.43 N -25.545 3.456 25.031 1.00 92.43 C -24.866 4.553 24.218 1.00 92.43 C -24.280 4.254 23.177 1.00 92.43 O -27.057 3.441 24.766 1.00 92.43 C -27.381 3.439 23.264 1.00 92.43 C -27.666 2.175 25.363 1.00 92.43 C -24.862 5.798 24.698 1.00 93.05 N -24.108 6.870 24.043 1.00 93.05 C -22.601 6.575 24.024 1.00 93.05 C -21.969 6.715 22.975 1.00 93.05 O -24.400 8.206 24.725 1.00 93.05 C -25.785 8.726 24.447 1.00 93.05 C -26.814 8.833 25.342 1.00 93.05 C -26.244 9.218 23.245 1.00 93.05 N -27.519 9.604 23.412 1.00 93.05 C -27.913 9.367 24.669 1.00 93.05 N -22.040 6.068 25.130 1.00 95.92 N -20.638 5.621 25.197 1.00 95.92 C -20.380 4.506 24.176 1.00 95.92 C -19.411 4.573 23.417 1.00 95.92 O -20.268 5.159 26.628 1.00 95.92 C -20.315 6.333 27.631 1.00 95.92 C -18.857 4.532 26.649 1.00 95.92 C -20.345 5.898 29.101 1.00 95.92 C -21.252 3.492 24.119 1.00 94.86 N -21.151 2.394 23.156 1.00 94.86 C -21.134 2.920 21.716 1.00 94.86 C -20.297 2.495 20.916 1.00 94.86 O -22.320 1.415 23.391 1.00 94.86 C -22.385 0.235 22.406 1.00 94.86 C -21.156 -0.666 22.516 1.00 94.86 C -23.619 -0.617 22.692 1.00 94.86 C -22.020 3.864 21.398 1.00 92.14 N -22.137 4.437 20.066 1.00 92.14 C -20.909 5.281 19.675 1.00 92.14 C -20.418 5.185 18.548 1.00 92.14 O -23.440 5.252 20.005 1.00 92.14 C -23.860 5.514 18.576 1.00 92.14 C -24.655 6.524 18.320 1.00 92.14 N -23.481 4.790 17.671 1.00 92.14 O -20.370 6.057 20.617 1.00 95.04 N -19.156 6.840 20.417 1.00 95.04 C -17.927 5.945 20.196 1.00 95.04 C -17.195 6.112 19.220 1.00 95.04 O -18.975 7.753 21.632 1.00 95.04 C -17.737 4.930 21.044 1.00 97.22 N -16.633 3.975 20.908 1.00 97.22 C -16.734 3.177 19.609 1.00 97.22 C -15.718 2.920 18.966 1.00 97.22 O -16.591 3.036 22.121 1.00 97.22 C -15.756 3.574 23.267 1.00 97.22 C -14.618 2.863 23.696 1.00 97.22 C -16.075 4.809 23.866 1.00 97.22 C -13.789 3.399 24.699 1.00 97.22 C -15.249 5.347 24.868 1.00 97.22 C -14.098 4.649 25.279 1.00 97.22 C -13.268 5.195 26.207 1.00 97.22 O -17.953 2.828 19.186 1.00 95.16 N -18.221 2.222 17.880 1.00 95.16 C -17.730 3.115 16.742 1.00 95.16 C -17.001 2.624 15.887 1.00 95.16 O -19.721 1.895 17.808 1.00 95.16 C -20.196 1.305 16.480 1.00 95.16 C -20.558 2.287 15.372 1.00 95.16 C -21.576 3.305 15.714 1.00 95.16 N -22.004 4.179 14.823 1.00 95.16 C -21.622 4.079 13.588 1.00 95.16 N1+ -22.768 5.179 15.131 1.00 95.16 N -18.082 4.401 16.745 1.00 94.89 N -17.665 5.344 15.705 1.00 94.89 C -16.134 5.510 15.640 1.00 94.89 C -15.553 5.462 14.556 1.00 94.89 O -18.378 6.677 15.955 1.00 94.89 C -15.473 5.620 16.798 1.00 98.02 N -14.015 5.795 16.884 1.00 98.02 C -13.269 4.526 16.464 1.00 98.02 C -12.247 4.615 15.784 1.00 98.02 O -13.607 6.230 18.311 1.00 98.02 C -14.216 7.611 18.635 1.00 98.02 C -12.070 6.284 18.456 1.00 98.02 C -14.159 7.968 20.122 1.00 98.02 C -13.743 3.347 16.876 1.00 98.30 N -13.027 2.088 16.675 1.00 98.30 C -13.379 1.371 15.376 1.00 98.30 C -12.532 0.628 14.901 1.00 98.30 O -13.242 1.154 17.876 1.00 98.30 C -12.483 1.590 19.141 1.00 98.30 C -12.919 0.701 20.303 1.00 98.30 C -10.969 1.453 18.931 1.00 98.30 C -14.556 1.569 14.774 1.00 97.34 N -14.948 0.856 13.550 1.00 97.34 C -13.913 0.956 12.406 1.00 97.34 C -13.670 -0.064 11.754 1.00 97.34 O -16.337 1.328 13.095 1.00 97.34 C -13.239 2.104 12.172 1.00 98.26 N -12.183 2.177 11.163 1.00 98.26 C -10.945 1.322 11.478 1.00 98.26 C -10.339 0.753 10.569 1.00 98.26 O -11.843 3.667 11.027 1.00 98.26 C -13.105 4.378 11.514 1.00 98.26 C -13.576 3.451 12.627 1.00 98.26 C -10.575 1.187 12.756 1.00 98.68 N -9.357 0.478 13.184 1.00 98.68 C -9.635 -0.996 13.508 1.00 98.68 C -8.877 -1.856 13.070 1.00 98.68 O -8.666 1.232 14.347 1.00 98.68 C -8.167 2.620 13.882 1.00 98.68 C -7.462 0.431 14.874 1.00 98.68 C -7.734 3.547 15.029 1.00 98.68 C -10.720 -1.299 14.224 1.00 98.43 N -11.106 -2.620 14.742 1.00 98.43 C -12.493 -3.056 14.214 1.00 98.43 C -13.433 -3.247 14.997 1.00 98.43 O -11.070 -2.607 16.286 1.00 98.43 C -9.799 -2.049 16.941 1.00 98.43 C -9.934 -2.157 18.463 1.00 98.43 C -8.523 -2.782 16.526 1.00 98.43 C -12.672 -3.175 12.885 1.00 98.13 N -13.977 -3.425 12.281 1.00 98.13 C -14.587 -4.760 12.720 1.00 98.13 C -15.804 -4.857 12.870 1.00 98.13 O -13.724 -3.392 10.769 1.00 98.13 C -12.254 -3.783 10.629 1.00 98.13 C -11.636 -3.144 11.867 1.00 98.13 C -13.762 -5.784 12.962 1.00 98.06 N -14.240 -7.125 13.323 1.00 98.06 C -14.817 -7.132 14.737 1.00 98.06 C -15.922 -7.630 14.945 1.00 98.06 O -13.107 -8.157 13.184 1.00 98.06 C -13.529 -9.555 13.646 1.00 98.06 C -12.626 -8.262 11.729 1.00 98.06 C -14.107 -6.560 15.708 1.00 97.94 N -14.537 -6.470 17.100 1.00 97.94 C -15.799 -5.630 17.205 1.00 97.94 C -16.733 -6.035 17.888 1.00 97.94 O -13.417 -5.875 17.970 1.00 97.94 C -13.815 -5.805 19.452 1.00 97.94 C -12.585 -5.088 20.582 1.00 97.94 S -11.139 -6.137 20.277 1.00 97.94 C -15.862 -4.496 16.506 1.00 97.10 N -17.065 -3.661 16.496 1.00 97.10 C -18.252 -4.410 15.879 1.00 97.10 C -19.343 -4.391 16.448 1.00 97.10 O -16.777 -2.332 15.784 1.00 97.10 C -18.066 -1.547 15.559 1.00 97.10 C -15.842 -1.460 16.633 1.00 97.10 C -18.049 -5.128 14.770 1.00 95.85 N -19.093 -5.956 14.161 1.00 95.85 C -19.564 -7.083 15.093 1.00 95.85 C -20.758 -7.394 15.138 1.00 95.85 O -18.562 -6.525 12.836 1.00 95.85 C -19.600 -7.349 12.063 1.00 95.85 C -20.813 -6.506 11.698 1.00 95.85 C -21.950 -6.721 12.319 1.00 95.85 N -20.740 -5.607 10.885 1.00 95.85 O -18.644 -7.691 15.844 1.00 96.60 N -18.965 -8.697 16.854 1.00 96.60 C -19.791 -8.088 17.987 1.00 96.60 C -20.840 -8.625 18.324 1.00 96.60 O -17.675 -9.321 17.409 1.00 96.60 C -17.956 -10.602 18.209 1.00 96.60 C -16.704 -11.185 18.882 1.00 96.60 C -16.817 -12.220 19.574 1.00 96.60 O -15.619 -10.562 18.865 1.00 96.60 O1- -19.359 -6.952 18.542 1.00 95.53 N -20.066 -6.222 19.607 1.00 95.53 C -21.501 -5.918 19.188 1.00 95.53 C -22.424 -6.175 19.960 1.00 95.53 O -19.298 -4.931 19.954 1.00 95.53 C -20.083 -3.919 20.798 1.00 95.53 C -18.032 -5.288 20.739 1.00 95.53 C -21.697 -5.460 17.950 1.00 92.32 N -23.014 -5.117 17.412 1.00 92.32 C -23.999 -6.290 17.427 1.00 92.32 C -25.165 -6.119 17.769 1.00 92.32 O -22.841 -4.583 15.990 1.00 92.32 C -23.854 -3.561 15.611 1.00 92.32 C -24.880 -3.712 14.744 1.00 92.32 C -23.918 -2.182 16.077 1.00 92.32 C -24.951 -1.520 15.357 1.00 92.32 C -23.167 -1.414 16.997 1.00 92.32 C -25.511 -2.497 14.564 1.00 92.32 N -25.192 -0.154 15.500 1.00 92.32 C -23.463 -0.054 17.209 1.00 92.32 C -24.455 0.583 16.445 1.00 92.32 C -23.519 -7.511 17.151 1.00 90.83 N -24.323 -8.748 17.201 1.00 90.83 C -24.855 -9.063 18.606 1.00 90.83 C -25.826 -9.806 18.735 1.00 90.83 O -23.461 -9.901 16.652 1.00 90.83 C -24.151 -11.276 16.629 1.00 90.83 C -23.210 -12.331 16.034 1.00 90.83 C -23.837 -13.730 16.073 1.00 90.83 C -22.979 -14.720 15.367 1.00 90.83 N1+ -24.211 -8.551 19.655 1.00 92.86 N -24.569 -8.821 21.049 1.00 92.86 C -25.314 -7.670 21.733 1.00 92.86 C -25.595 -7.780 22.930 1.00 92.86 O -23.322 -9.245 21.834 1.00 92.86 C -22.793 -10.616 21.468 1.00 92.86 C -23.404 -11.776 21.977 1.00 92.86 C -21.676 -10.728 20.629 1.00 92.86 C -22.882 -13.045 21.653 1.00 92.86 C -21.148 -11.988 20.298 1.00 92.86 C -21.749 -13.149 20.816 1.00 92.86 C -21.232 -14.367 20.512 1.00 92.86 O -25.657 -6.599 21.010 1.00 90.29 N -26.558 -5.565 21.529 1.00 90.29 C -27.942 -6.201 21.739 1.00 90.29 C -28.469 -6.820 20.811 1.00 90.29 O -26.605 -4.327 20.608 1.00 90.29 C -25.196 -3.698 20.536 1.00 90.29 C -27.621 -3.304 21.153 1.00 90.29 C -25.070 -2.503 19.588 1.00 90.29 C -28.536 -6.118 22.946 1.00 86.62 N -29.860 -6.678 23.178 1.00 86.62 C -30.922 -6.001 22.304 1.00 86.62 C -30.853 -4.803 22.036 1.00 86.62 O -30.146 -6.512 24.675 1.00 86.62 C -28.772 -6.269 25.295 1.00 86.62 C -27.977 -5.594 24.183 1.00 86.62 C -31.934 -6.768 21.899 1.00 80.13 N -33.090 -6.241 21.163 1.00 80.13 C -33.760 -5.082 21.921 1.00 80.13 C -33.801 -5.083 23.156 1.00 80.13 O -34.107 -7.365 20.915 1.00 80.13 C -33.607 -8.383 19.875 1.00 80.13 C -34.382 -9.708 19.910 1.00 80.13 C -34.402 -10.405 18.877 1.00 80.13 O -34.790 -10.133 21.026 1.00 80.13 O1- -34.263 -4.111 21.152 1.00 80.17 N -34.920 -2.889 21.627 1.00 80.17 C -34.017 -1.661 21.693 1.00 80.17 C -34.457 -0.571 21.362 1.00 80.17 O -32.727 -1.819 22.002 1.00 81.34 N -31.809 -0.673 22.149 1.00 81.34 C -31.435 0.027 20.838 1.00 81.34 C -30.915 1.137 20.862 1.00 81.34 O -30.546 -1.141 22.870 1.00 81.34 C -30.785 -1.513 24.292 1.00 81.34 C -31.039 -2.752 24.755 1.00 81.34 C -30.881 -0.631 25.442 1.00 81.34 C -31.147 -1.418 26.599 1.00 81.34 C -30.781 0.758 25.617 1.00 81.34 C -31.258 -2.699 26.114 1.00 81.34 N -31.279 -0.863 27.877 1.00 81.34 C -30.823 1.320 26.904 1.00 81.34 C -31.096 0.518 28.025 1.00 81.34 C -31.674 -0.629 19.702 1.00 71.40 N -31.436 -0.077 18.366 1.00 71.40 C -32.723 0.472 17.721 1.00 71.40 C -32.654 1.072 16.654 1.00 71.40 O -30.775 -1.159 17.483 1.00 71.40 C -29.445 -1.735 18.011 1.00 71.40 C -28.974 -2.880 17.112 1.00 71.40 C -28.325 -0.701 18.037 1.00 71.40 C -33.901 0.248 18.319 1.00 64.03 N -35.177 0.666 17.729 1.00 64.03 C -35.393 2.177 17.908 1.00 64.03 C -35.144 2.726 18.975 1.00 64.03 O -36.339 -0.159 18.313 1.00 64.03 C -36.361 -1.594 17.754 1.00 64.03 C -37.475 -2.459 18.339 1.00 64.03 C -37.822 -3.559 17.709 1.00 64.03 N -38.029 -2.211 19.388 1.00 64.03 O -35.847 2.857 16.848 1.00 58.55 N -36.212 4.283 16.882 1.00 58.55 C -35.047 5.282 16.837 1.00 58.55 C -35.279 6.485 16.874 1.00 58.55 O -33.799 4.823 16.739 1.00 59.39 N -32.627 5.694 16.637 1.00 59.39 C -32.288 5.952 15.158 1.00 59.39 C -31.545 5.175 14.563 1.00 59.39 O -31.460 5.029 17.386 1.00 59.39 C -31.627 4.982 18.915 1.00 59.39 C -31.130 6.251 19.592 1.00 59.39 C -31.978 6.930 20.330 1.00 59.39 N -29.985 6.657 19.456 1.00 59.39 O -32.785 7.048 14.566 1.00 52.37 N -32.527 7.414 13.151 1.00 52.37 C -31.032 7.434 12.774 1.00 52.37 C -30.664 7.241 11.617 1.00 52.37 O -33.087 8.814 12.843 1.00 52.37 C -34.616 8.873 12.727 1.00 52.37 C -35.111 10.230 12.190 1.00 52.37 C -36.276 10.271 11.736 1.00 52.37 O -34.320 11.202 12.214 1.00 52.37 O1- -30.149 7.667 13.746 1.00 51.54 N -28.704 7.768 13.530 1.00 51.54 C -27.944 6.449 13.692 1.00 51.54 C -26.753 6.384 13.366 1.00 51.54 O -28.153 8.847 14.464 1.00 51.54 C -28.810 10.184 14.247 1.00 51.54 C -29.262 11.035 15.217 1.00 51.54 C -29.140 10.741 13.030 1.00 51.54 N -29.771 11.903 13.266 1.00 51.54 C -29.847 12.128 14.583 1.00 51.54 N -28.599 5.402 14.193 1.00 53.96 N -27.992 4.086 14.348 1.00 53.96 C -28.367 3.256 13.124 1.00 53.96 C -29.315 2.476 13.125 1.00 53.96 O -28.334 3.454 15.711 1.00 53.96 C -27.854 4.365 16.868 1.00 53.96 C -27.606 2.114 15.800 1.00 53.96 C -28.138 3.813 18.272 1.00 53.96 C -27.602 3.473 12.056 1.00 57.13 N -27.662 2.648 10.855 1.00 57.13 C -27.520 1.164 11.242 1.00 57.13 C -26.757 0.817 12.154 1.00 57.13 O -26.565 3.120 9.885 1.00 57.13 C -26.826 2.765 8.422 1.00 57.13 C -27.746 1.955 8.172 1.00 57.13 O -26.051 3.274 7.581 1.00 57.13 O1- -28.258 0.277 10.567 1.00 66.73 N -28.322 -1.153 10.927 1.00 66.73 C -26.910 -1.762 10.907 1.00 66.73 C -26.595 -2.659 11.698 1.00 66.73 O -29.306 -1.906 9.993 1.00 66.73 C -30.742 -1.349 10.159 1.00 66.73 C -29.293 -3.425 10.264 1.00 66.73 C -31.763 -1.906 9.157 1.00 66.73 C -26.034 -1.233 10.044 1.00 85.02 N -24.638 -1.624 9.954 1.00 85.02 C -23.709 -0.700 10.778 1.00 85.02 C -23.581 0.491 10.463 1.00 85.02 O -24.240 -1.689 8.475 1.00 85.02 C -22.951 -2.464 8.307 1.00 85.02 C -22.946 -3.451 7.448 1.00 85.02 N -21.957 -2.225 8.980 1.00 85.02 O -22.946 -1.234 11.755 1.00 90.79 N -22.071 -0.420 12.600 1.00 90.79 C -20.961 0.300 11.824 1.00 90.79 C -20.427 1.299 12.307 1.00 90.79 O -21.457 -1.399 13.601 1.00 90.79 C -21.509 -2.750 12.890 1.00 90.79 C -22.786 -2.650 12.064 1.00 90.79 C -20.594 -0.197 10.639 1.00 92.61 N -19.522 0.372 9.818 1.00 92.61 C -19.944 1.643 9.070 1.00 92.61 C -19.074 2.405 8.656 1.00 92.61 O -19.038 -0.679 8.808 1.00 92.61 C -18.501 -1.971 9.437 1.00 92.61 C -17.022 -1.768 10.470 1.00 92.61 S -17.764 -1.817 12.120 1.00 92.61 C -21.254 1.866 8.883 1.00 88.93 N -21.808 2.996 8.114 1.00 88.93 C -22.457 4.071 8.977 1.00 88.93 C -22.596 5.202 8.524 1.00 88.93 O -22.831 2.483 7.093 1.00 88.93 C -22.179 1.640 5.991 1.00 88.93 C -23.218 1.159 4.973 1.00 88.93 C -23.793 2.270 4.190 1.00 88.93 N -24.686 2.144 3.225 1.00 88.93 C -25.172 0.993 2.866 1.00 88.93 N1+ -25.132 3.164 2.558 1.00 88.93 N -22.826 3.745 10.217 1.00 84.25 N -23.499 4.708 11.081 1.00 84.25 C -22.664 5.975 11.289 1.00 84.25 C -21.453 5.904 11.527 1.00 84.25 O -23.325 7.131 11.264 1.00 84.81 N -22.671 8.427 11.463 1.00 84.81 C -22.043 8.520 12.852 1.00 84.81 C -22.470 7.848 13.800 1.00 84.81 O -23.667 9.570 11.216 1.00 84.81 C -24.094 9.633 9.741 1.00 84.81 C -25.091 10.773 9.507 1.00 84.81 C -25.521 10.799 8.036 1.00 84.81 C -26.573 11.819 7.793 1.00 84.81 N1+ -21.019 9.361 12.959 1.00 91.37 N -20.452 9.730 14.250 1.00 91.37 C -21.509 10.486 15.057 1.00 91.37 C -22.110 11.414 14.512 1.00 91.37 O -19.191 10.578 14.068 1.00 91.37 C -17.970 9.797 13.699 1.00 91.37 C -17.888 8.862 12.725 1.00 91.37 C -16.652 9.831 14.328 1.00 91.37 C -15.817 8.873 13.676 1.00 91.37 C -16.078 10.567 15.387 1.00 91.37 C -16.624 8.315 12.712 1.00 91.37 N -14.484 8.656 14.048 1.00 91.37 C -14.742 10.352 15.771 1.00 91.37 C -13.947 9.403 15.109 1.00 91.37 C -21.753 10.107 16.322 1.00 89.73 N -22.707 10.826 17.146 1.00 89.73 C -22.214 12.252 17.410 1.00 89.73 C -21.010 12.501 17.514 1.00 89.73 O -22.864 9.996 18.422 1.00 89.73 C -21.531 9.257 18.533 1.00 89.73 C -21.108 9.043 17.081 1.00 89.73 C -23.171 13.164 17.525 1.00 86.46 N -22.992 14.481 18.116 1.00 86.46 C -23.795 14.486 19.413 1.00 86.46 C -24.963 14.092 19.407 1.00 86.46 O -23.462 15.555 17.129 1.00 86.46 C -23.311 16.961 17.670 1.00 86.46 C -24.432 17.657 18.164 1.00 86.46 C -22.037 17.556 17.725 1.00 86.46 C -24.277 18.945 18.704 1.00 86.46 C -21.883 18.844 18.267 1.00 86.46 C -23.004 19.538 18.755 1.00 86.46 C -23.148 14.832 20.522 1.00 85.67 N -23.784 14.878 21.832 1.00 85.67 C -23.822 16.339 22.248 1.00 85.67 C -22.780 16.904 22.573 1.00 85.67 O -23.008 14.005 22.833 1.00 85.67 C -22.906 12.519 22.456 1.00 85.67 C -22.013 11.804 23.467 1.00 85.67 C -24.261 11.809 22.435 1.00 85.67 C -25.010 16.937 22.192 1.00 78.62 N -25.186 18.303 22.664 1.00 78.62 C -24.930 18.344 24.174 1.00 78.62 C -25.406 17.491 24.930 1.00 78.62 O -26.571 18.842 22.280 1.00 78.62 C -26.650 20.371 22.372 1.00 78.62 C -25.614 20.996 22.698 1.00 78.62 O -27.733 20.901 22.046 1.00 78.62 O1- -24.106 19.289 24.605 1.00 74.89 N -23.609 19.344 25.972 1.00 74.89 C -23.715 20.759 26.506 1.00 74.89 C -23.144 21.689 25.938 1.00 74.89 O -22.174 18.819 26.054 1.00 74.89 C -21.291 19.613 25.286 1.00 74.89 O -24.397 20.909 27.639 1.00 82.27 N -24.481 22.182 28.335 1.00 82.27 C -23.167 22.452 29.089 1.00 82.27 C -22.903 21.877 30.149 1.00 82.27 O -25.731 22.176 29.228 1.00 82.27 C -25.963 23.528 29.878 1.00 82.27 C -27.178 23.847 30.247 1.00 82.27 N -25.051 24.310 30.074 1.00 82.27 O -22.345 23.343 28.535 1.00 84.13 N -21.036 23.721 29.084 1.00 84.13 C -21.120 24.330 30.486 1.00 84.13 C -20.178 24.173 31.268 1.00 84.13 O -20.326 24.710 28.146 1.00 84.13 C -19.833 24.029 26.870 1.00 84.13 C -21.213 25.733 27.755 1.00 84.13 O -22.238 24.959 30.860 1.00 87.28 N -22.441 25.490 32.213 1.00 87.28 C -22.587 24.368 33.243 1.00 87.28 C -21.965 24.424 34.304 1.00 87.28 O -23.682 26.388 32.295 1.00 87.28 C -23.600 27.641 31.415 1.00 87.28 C -24.821 28.559 31.589 1.00 87.28 C -24.722 29.725 31.145 1.00 87.28 O -25.837 28.106 32.168 1.00 87.28 O1- -23.356 23.317 32.929 1.00 86.20 N -23.526 22.160 33.823 1.00 86.20 C -22.189 21.448 34.024 1.00 86.20 C -21.860 21.079 35.148 1.00 86.20 O -24.620 21.194 33.308 1.00 86.20 C -25.988 21.910 33.375 1.00 86.20 C -24.632 19.887 34.132 1.00 86.20 C -27.171 21.106 32.825 1.00 86.20 C -21.394 21.313 32.962 1.00 86.48 N -20.057 20.705 33.011 1.00 86.48 C -19.113 21.530 33.880 1.00 86.48 C -18.521 21.001 34.817 1.00 86.48 O -19.499 20.575 31.588 1.00 86.48 C -18.045 20.094 31.550 1.00 86.48 C -20.362 19.606 30.773 1.00 86.48 C -19.023 22.837 33.622 1.00 90.06 N -18.174 23.750 34.403 1.00 90.06 C -18.609 23.776 35.868 1.00 90.06 C -17.780 23.823 36.777 1.00 90.06 O -18.238 25.172 33.825 1.00 90.06 C -17.278 26.130 34.531 1.00 90.06 C -17.887 25.172 32.463 1.00 90.06 O -19.917 23.713 36.119 1.00 91.73 N -20.473 23.571 37.460 1.00 91.73 C -20.048 22.243 38.095 1.00 91.73 C -19.531 22.265 39.205 1.00 91.73 O -21.994 23.730 37.395 1.00 91.73 C -22.587 23.538 38.665 1.00 91.73 O -20.165 21.113 37.395 1.00 94.31 N -19.772 19.796 37.909 1.00 94.31 C -18.286 19.729 38.299 1.00 94.31 C -17.926 19.211 39.359 1.00 94.31 O -20.128 18.723 36.871 1.00 94.31 C -19.982 17.312 37.399 1.00 94.31 C -18.768 16.615 37.260 1.00 94.31 C -21.060 16.707 38.068 1.00 94.31 C -18.635 15.318 37.786 1.00 94.31 C -20.926 15.416 38.602 1.00 94.31 C -19.712 14.722 38.466 1.00 94.31 C -17.410 20.305 37.472 1.00 93.66 N -15.971 20.367 37.750 1.00 93.66 C -15.654 21.241 38.974 1.00 93.66 C -14.812 20.885 39.801 1.00 93.66 O -15.208 20.867 36.508 1.00 93.66 C -15.274 19.863 35.340 1.00 93.66 C -14.434 20.245 34.108 1.00 93.66 C -14.121 19.312 33.313 1.00 93.66 O -14.094 21.440 33.973 1.00 93.66 O1- -16.356 22.366 39.128 1.00 93.77 N -16.122 23.312 40.219 1.00 93.77 C -16.767 22.922 41.552 1.00 93.77 C -16.422 23.518 42.574 1.00 93.77 O -16.600 24.698 39.774 1.00 93.77 C -15.593 25.359 38.863 1.00 93.77 C -16.014 25.835 37.721 1.00 93.77 N -14.423 25.476 39.189 1.00 93.77 O -17.701 21.976 41.547 1.00 94.83 N -18.464 21.583 42.722 1.00 94.83 C -18.188 20.114 43.064 1.00 94.83 C -17.362 19.830 43.933 1.00 94.83 O -19.945 21.916 42.500 1.00 94.83 C -20.338 23.374 42.634 1.00 94.83 C -21.118 23.804 43.724 1.00 94.83 C -19.975 24.298 41.637 1.00 94.83 C -21.522 25.148 43.815 1.00 94.83 C -20.388 25.634 41.716 1.00 94.83 C -21.164 26.057 42.804 1.00 94.83 C -18.825 19.177 42.365 1.00 95.15 N -18.771 17.744 42.660 1.00 95.15 C -17.346 17.172 42.607 1.00 95.15 C -16.953 16.442 43.519 1.00 95.15 O -19.687 16.964 41.697 1.00 95.15 C -21.193 17.217 41.894 1.00 95.15 C -21.768 18.360 41.038 1.00 95.15 C -22.863 18.201 40.459 1.00 95.15 O -21.169 19.447 40.947 1.00 95.15 O1- -16.537 17.524 41.598 1.00 94.28 N -15.166 17.000 41.492 1.00 94.28 C -14.213 17.571 42.548 1.00 94.28 C -13.349 16.843 43.046 1.00 94.28 O -14.594 17.218 40.082 1.00 94.28 C -15.199 16.318 38.993 1.00 94.28 C -14.459 16.558 37.682 1.00 94.28 C -15.065 14.822 39.306 1.00 94.28 C -14.374 18.841 42.943 1.00 95.31 N -13.602 19.413 44.058 1.00 95.31 C -13.952 18.733 45.380 1.00 95.31 C -13.049 18.390 46.143 1.00 95.31 O -13.821 20.926 44.169 1.00 95.31 C -13.122 21.727 43.061 1.00 95.31 C -13.148 23.208 43.456 1.00 95.31 C -12.507 24.139 42.425 1.00 95.31 C -12.702 25.549 42.847 1.00 95.31 N1+ -15.241 18.480 45.620 1.00 96.62 N -15.702 17.749 46.807 1.00 96.62 C -15.173 16.314 46.795 1.00 96.62 C -14.664 15.855 47.813 1.00 96.62 O -17.240 17.808 46.931 1.00 96.62 C -17.685 19.262 47.205 1.00 96.62 C -17.732 16.895 48.071 1.00 96.62 C -19.194 19.474 47.066 1.00 96.62 C -15.215 15.623 45.650 1.00 95.99 N -14.648 14.280 45.507 1.00 95.99 C -13.153 14.253 45.837 1.00 95.99 C -12.703 13.360 46.555 1.00 95.99 O -14.922 13.764 44.084 1.00 95.99 C -14.296 12.390 43.773 1.00 95.99 C -14.842 11.273 44.663 1.00 95.99 C -14.579 12.022 42.319 1.00 95.99 C -12.388 15.236 45.353 1.00 95.66 N -10.956 15.338 45.645 1.00 95.66 C -10.699 15.516 47.143 1.00 95.66 C -9.905 14.765 47.705 1.00 95.66 O -10.351 16.469 44.808 1.00 95.66 C -8.830 16.509 44.980 1.00 95.66 C -8.222 17.641 44.154 1.00 95.66 C -6.722 17.674 44.444 1.00 95.66 C -6.086 18.857 43.824 1.00 95.66 N1+ -11.405 16.439 47.800 1.00 96.51 N -11.249 16.630 49.245 1.00 96.51 C -11.700 15.395 50.036 1.00 96.51 C -11.040 14.993 50.990 1.00 96.51 O -12.034 17.863 49.713 1.00 96.51 C -11.651 18.241 51.159 1.00 96.51 C -10.196 18.676 51.265 1.00 96.51 C -9.442 18.202 52.230 1.00 96.51 N -9.716 19.439 50.444 1.00 96.51 O -12.795 14.752 49.624 1.00 97.14 N -13.260 13.509 50.233 1.00 97.14 C -12.194 12.413 50.165 1.00 97.14 C -11.999 11.708 51.147 1.00 97.14 O -14.548 13.038 49.547 1.00 97.14 C -14.906 11.601 49.878 1.00 97.14 C -14.623 10.571 48.960 1.00 97.14 C -15.454 11.285 51.133 1.00 97.14 C -14.906 9.234 49.291 1.00 97.14 C -15.723 9.947 51.468 1.00 97.14 C -15.458 8.923 50.545 1.00 97.14 C -11.484 12.263 49.045 1.00 95.45 N -10.415 11.267 48.924 1.00 95.45 C -9.254 11.539 49.893 1.00 95.45 C -8.694 10.594 50.454 1.00 95.45 O -9.906 11.235 47.477 1.00 95.45 C -10.902 10.566 46.520 1.00 95.45 C -10.498 10.699 45.054 1.00 95.45 C -11.174 10.010 44.162 1.00 95.45 N -9.569 11.391 44.669 1.00 95.45 O -8.907 12.808 50.117 1.00 95.85 N -7.891 13.214 51.095 1.00 95.85 C -8.345 12.905 52.532 1.00 95.85 C -7.628 12.230 53.277 1.00 95.85 O -7.543 14.704 50.910 1.00 95.85 C -6.823 14.967 49.572 1.00 95.85 C -6.536 16.454 49.285 1.00 95.85 C -6.070 16.737 48.150 1.00 95.85 O -6.738 17.288 50.194 1.00 95.85 O1- -9.573 13.286 52.891 1.00 95.70 N -10.138 13.019 54.219 1.00 95.70 C -10.400 11.532 54.470 1.00 95.70 C -10.160 11.028 55.564 1.00 95.70 O -11.446 13.801 54.404 1.00 95.70 C -11.247 15.311 54.547 1.00 95.70 C -10.196 15.641 55.615 1.00 95.70 C -9.230 16.341 55.247 1.00 95.70 O -10.328 15.154 56.771 1.00 95.70 O1- -10.828 10.782 53.457 1.00 96.43 N -11.007 9.339 53.568 1.00 96.43 C -9.667 8.631 53.782 1.00 96.43 C -9.587 7.670 54.547 1.00 96.43 O -11.726 8.794 52.330 1.00 96.43 C -11.990 7.310 52.451 1.00 96.43 C -11.121 6.381 51.848 1.00 96.43 C -13.044 6.860 53.267 1.00 96.43 C -11.286 5.006 52.089 1.00 96.43 C -13.205 5.487 53.512 1.00 96.43 C -12.313 4.566 52.938 1.00 96.43 C -8.585 9.117 53.160 1.00 95.41 N -7.236 8.604 53.423 1.00 95.41 C -6.826 8.850 54.877 1.00 95.41 C -6.243 7.954 55.486 1.00 95.41 O -6.257 9.233 52.428 1.00 95.41 C -4.869 8.589 52.499 1.00 95.41 C -3.948 9.275 51.490 1.00 95.41 C -2.557 8.644 51.531 1.00 95.41 C -1.636 9.365 50.622 1.00 95.41 N1+ -7.165 10.014 55.442 1.00 94.50 N -6.962 10.321 56.867 1.00 94.50 C -7.773 9.378 57.762 1.00 94.50 C -7.187 8.692 58.595 1.00 94.50 O -7.287 11.804 57.116 1.00 94.50 C -6.937 12.231 58.545 1.00 94.50 C -7.269 13.707 58.797 1.00 94.50 C -8.720 13.954 58.850 1.00 94.50 N -9.497 13.767 59.897 1.00 94.50 C -9.043 13.349 61.049 1.00 94.50 N1+ -10.768 13.999 59.760 1.00 94.50 N -9.075 9.238 57.509 1.00 94.71 N -9.961 8.315 58.230 1.00 94.71 C -9.469 6.859 58.156 1.00 94.71 C -9.511 6.124 59.142 1.00 94.71 O -11.379 8.445 57.637 1.00 94.71 C -12.440 7.593 58.361 1.00 94.71 C -12.722 8.115 59.766 1.00 94.71 C -13.754 7.595 57.580 1.00 94.71 C -8.967 6.428 56.997 1.00 94.27 N -8.413 5.085 56.817 1.00 94.27 C -7.167 4.845 57.671 1.00 94.27 C -6.959 3.708 58.096 1.00 94.27 O -8.075 4.835 55.344 1.00 94.27 C -7.542 3.529 55.179 1.00 94.27 O -6.337 5.869 57.896 1.00 94.39 N -5.129 5.781 58.721 1.00 94.39 C -5.452 5.835 60.217 1.00 94.39 C -4.856 5.089 60.989 1.00 94.39 O -4.165 6.921 58.338 1.00 94.39 C -3.484 6.750 56.969 1.00 94.39 C -2.801 8.056 56.559 1.00 94.39 C -2.419 5.649 56.994 1.00 94.39 C -6.390 6.694 60.616 1.00 93.69 N -6.744 6.920 62.022 1.00 93.69 C -7.680 5.835 62.580 1.00 93.69 C -7.468 5.348 63.689 1.00 93.69 O -7.377 8.316 62.166 1.00 93.69 C -6.376 9.467 61.937 1.00 93.69 C -7.037 10.859 61.963 1.00 93.69 C -6.369 11.854 61.594 1.00 93.69 O -8.238 10.970 62.289 1.00 93.69 O1- -8.690 5.411 61.813 1.00 92.32 N -9.750 4.499 62.281 1.00 92.32 C -9.756 3.124 61.587 1.00 92.32 C -10.594 2.265 61.885 1.00 92.32 O -11.125 5.162 62.123 1.00 92.32 C -11.331 6.402 63.007 1.00 92.32 C -12.797 6.871 63.000 1.00 92.32 C -13.034 8.060 63.296 1.00 92.32 O -13.692 6.035 62.711 1.00 92.32 O1- -8.850 2.886 60.633 1.00 91.35 N -8.757 1.607 59.919 1.00 91.35 C -9.930 1.322 58.968 1.00 91.35 C -10.201 0.162 58.638 1.00 91.35 O -10.658 2.352 58.523 1.00 92.21 N -11.748 2.207 57.545 1.00 92.21 C -11.168 1.968 56.149 1.00 92.21 C -10.566 2.851 55.559 1.00 92.21 O -12.691 3.428 57.556 1.00 92.21 C -13.844 3.234 56.560 1.00 92.21 C -13.319 3.626 58.942 1.00 92.21 C -11.375 0.772 55.588 1.00 92.59 N -10.771 0.366 54.299 1.00 92.59 C -11.667 0.554 53.073 1.00 92.59 C -11.204 0.379 51.948 1.00 92.59 O -10.318 -1.100 54.345 1.00 92.59 C -9.188 -1.325 55.348 1.00 92.59 C -11.378 -1.944 54.750 1.00 92.59 O -12.954 0.870 53.261 1.00 93.06 N -13.934 1.028 52.174 1.00 93.06 C -14.684 2.343 52.308 1.00 93.06 C -15.252 2.609 53.366 1.00 93.06 O -14.944 -0.127 52.170 1.00 93.06 C -14.302 -1.500 51.942 1.00 93.06 C -15.412 -2.548 51.865 1.00 93.06 C -14.818 -3.947 51.728 1.00 93.06 C -15.909 -4.947 51.679 1.00 93.06 N1+ -14.756 3.103 51.220 1.00 94.94 N -15.554 4.337 51.123 1.00 94.94 C -17.030 4.076 51.415 1.00 94.94 C -17.674 4.855 52.102 1.00 94.94 O -15.408 4.952 49.725 1.00 94.94 C -14.000 5.507 49.505 1.00 94.94 C -15.612 3.942 48.761 1.00 94.94 O -17.553 2.897 51.069 1.00 94.59 N -18.941 2.500 51.375 1.00 94.59 C -19.255 2.367 52.872 1.00 94.59 C -20.397 2.073 53.232 1.00 94.59 O -19.312 1.193 50.663 1.00 94.59 C -19.187 1.299 49.145 1.00 94.59 C -18.514 0.111 51.106 1.00 94.59 O -18.262 2.548 53.750 1.00 95.31 N -18.417 2.600 55.203 1.00 95.31 C -18.215 4.008 55.789 1.00 95.31 C -18.270 4.150 57.010 1.00 95.31 O -17.456 1.612 55.874 1.00 95.31 C -17.571 0.155 55.499 1.00 95.31 C -18.536 -0.492 54.767 1.00 95.31 C -16.674 -0.798 55.908 1.00 95.31 N -17.074 -1.985 55.437 1.00 95.31 C -18.188 -1.853 54.707 1.00 95.31 N -17.984 5.041 54.973 1.00 96.48 N -17.905 6.425 55.448 1.00 96.48 C -19.261 7.123 55.376 1.00 96.48 C -20.026 6.930 54.429 1.00 96.48 O -16.826 7.227 54.713 1.00 96.48 C -17.088 7.323 53.330 1.00 96.48 O -19.541 7.956 56.369 1.00 96.90 N -20.607 8.950 56.370 1.00 96.90 C -19.969 10.306 56.080 1.00 96.90 C -18.954 10.647 56.685 1.00 96.90 O -21.298 8.924 57.736 1.00 96.90 C -22.608 9.661 57.789 1.00 96.90 C -22.830 10.962 57.439 1.00 96.90 C -23.798 9.096 58.256 1.00 96.90 N -24.707 10.084 58.177 1.00 96.90 C -24.159 11.195 57.677 1.00 96.90 N -20.528 11.050 55.130 1.00 97.34 N -20.016 12.371 54.755 1.00 97.34 C -21.053 13.425 55.103 1.00 97.34 C -22.223 13.272 54.767 1.00 97.34 O -19.636 12.426 53.268 1.00 97.34 C -19.020 13.777 52.887 1.00 97.34 C -18.640 11.317 52.900 1.00 97.34 C -20.621 14.505 55.738 1.00 96.49 N -21.473 15.657 56.034 1.00 96.49 C -20.881 16.888 55.363 1.00 96.49 C -19.719 17.225 55.594 1.00 96.49 O -21.643 15.849 57.545 1.00 96.49 C -22.691 16.911 57.860 1.00 96.49 C -22.084 14.643 58.134 1.00 96.49 O -21.667 17.540 54.508 1.00 95.69 N -21.317 18.793 53.838 1.00 95.69 C -22.046 19.933 54.541 1.00 95.69 C -23.275 19.976 54.553 1.00 95.69 O -21.657 18.741 52.331 1.00 95.69 C -20.957 17.578 51.589 1.00 95.69 C -21.324 20.082 51.649 1.00 95.69 C -19.424 17.644 51.569 1.00 95.69 C -21.286 20.871 55.096 1.00 94.77 N -21.809 22.084 55.713 1.00 94.77 C -21.719 23.244 54.723 1.00 94.77 C -20.643 23.542 54.198 1.00 94.77 O -21.061 22.383 57.011 1.00 94.77 C -21.131 21.264 58.031 1.00 94.77 C -22.256 21.143 58.866 1.00 94.77 C -20.077 20.338 58.140 1.00 94.77 C -22.311 20.128 59.835 1.00 94.77 C -20.140 19.312 59.099 1.00 94.77 C -21.250 19.214 59.955 1.00 94.77 C -22.850 23.891 54.445 1.00 92.23 N -22.938 24.972 53.453 1.00 92.23 C -23.990 26.010 53.832 1.00 92.23 C -25.028 25.680 54.398 1.00 92.23 O -23.227 24.402 52.052 1.00 92.23 C -24.535 23.615 51.949 1.00 92.23 C -23.311 25.443 51.103 1.00 92.23 O -23.757 27.273 53.462 1.00 89.31 N -24.765 28.353 53.524 1.00 89.31 C -25.579 28.480 52.238 1.00 89.31 C -26.579 29.189 52.190 1.00 89.31 O -24.073 29.687 53.821 1.00 89.31 C -23.385 29.658 55.184 1.00 89.31 C -22.736 31.008 55.483 1.00 89.31 C -22.018 30.864 56.818 1.00 89.31 C -21.575 32.168 57.359 1.00 89.31 N1+ -25.126 27.821 51.179 1.00 88.11 N -25.630 27.998 49.827 1.00 88.11 C -26.361 26.750 49.352 1.00 88.11 C -26.023 25.628 49.735 1.00 88.11 O -24.469 28.364 48.896 1.00 88.11 C -23.755 29.615 49.336 1.00 88.11 C -22.611 29.680 50.086 1.00 88.11 C -24.167 30.909 49.114 1.00 88.11 N -23.285 31.732 49.704 1.00 88.11 C -22.321 31.026 50.314 1.00 88.11 N -27.338 26.954 48.471 1.00 87.78 N -27.941 25.857 47.734 1.00 87.78 C -26.915 25.267 46.760 1.00 87.78 C -26.244 26.006 46.037 1.00 87.78 O -29.207 26.344 47.024 1.00 87.78 C -30.023 25.209 46.471 1.00 87.78 C -30.413 25.036 45.171 1.00 87.78 C -30.519 24.142 47.189 1.00 87.78 N -31.185 23.345 46.339 1.00 87.78 C -31.166 23.862 45.103 1.00 87.78 N -26.780 23.943 46.768 1.00 91.51 N -25.860 23.214 45.903 1.00 91.51 C -26.636 22.627 44.717 1.00 91.51 C -27.796 22.253 44.881 1.00 91.51 O -25.108 22.143 46.717 1.00 91.51 C -24.243 22.723 47.855 1.00 91.51 C -23.634 21.597 48.690 1.00 91.51 C -23.099 23.600 47.340 1.00 91.51 C -26.023 22.530 43.527 1.00 90.13 N -26.727 22.138 42.307 1.00 90.13 C -26.993 20.626 42.195 1.00 90.13 C -27.460 20.172 41.155 1.00 90.13 O -25.833 22.663 41.181 1.00 90.13 C -24.427 22.518 41.761 1.00 90.13 C -24.639 22.881 43.228 1.00 90.13 C -26.672 19.848 43.228 1.00 91.60 N -26.791 18.393 43.272 1.00 91.60 C -27.492 17.947 44.557 1.00 91.60 C -27.495 18.649 45.572 1.00 91.60 O -25.397 17.757 43.149 1.00 91.60 C -24.389 18.258 44.169 1.00 91.60 C -23.423 19.207 43.795 1.00 91.60 C -24.443 17.815 45.504 1.00 91.60 C -22.504 19.682 44.744 1.00 91.60 C -23.543 18.318 46.457 1.00 91.60 C -22.557 19.234 46.069 1.00 91.60 C -28.058 16.745 44.521 1.00 91.77 N -28.673 16.112 45.693 1.00 91.77 C -27.666 15.333 46.551 1.00 91.77 C -26.603 14.925 46.076 1.00 91.77 O -29.823 15.211 45.241 1.00 91.77 C -29.337 14.172 44.418 1.00 91.77 O -28.026 15.062 47.813 1.00 92.83 N -27.275 14.145 48.686 1.00 92.83 C -27.058 12.774 48.044 1.00 92.83 C -25.961 12.231 48.133 1.00 92.83 O -28.027 13.911 49.997 1.00 92.83 C -27.856 14.992 50.886 1.00 92.83 O -28.074 12.224 47.372 1.00 89.48 N -27.991 10.905 46.737 1.00 89.48 C -27.015 10.899 45.554 1.00 89.48 C -26.174 10.005 45.454 1.00 89.48 O -29.387 10.451 46.280 1.00 89.48 C -30.309 10.024 47.427 1.00 89.48 C -29.790 9.612 48.490 1.00 89.48 O -31.539 10.068 47.210 1.00 89.48 O1- -27.063 11.920 44.690 1.00 90.80 N -26.108 12.053 43.583 1.00 90.80 C -24.670 12.171 44.091 1.00 90.80 C -23.778 11.496 43.571 1.00 90.80 O -26.430 13.285 42.729 1.00 90.80 C -27.621 13.065 41.790 1.00 90.80 C -27.993 14.368 41.075 1.00 90.80 C -28.161 14.323 39.831 1.00 90.80 O -28.110 15.390 41.795 1.00 90.80 O1- -24.439 12.985 45.127 1.00 95.28 N -23.106 13.119 45.704 1.00 95.28 C -22.669 11.820 46.403 1.00 95.28 C -21.522 11.410 46.257 1.00 95.28 O -23.058 14.359 46.616 1.00 95.28 C -21.644 14.668 47.149 1.00 95.28 C -20.631 14.971 46.040 1.00 95.28 C -21.652 15.875 48.090 1.00 95.28 C -23.573 11.124 47.096 1.00 94.58 N -23.307 9.829 47.732 1.00 94.58 C -22.830 8.778 46.723 1.00 94.58 C -21.887 8.030 47.001 1.00 94.58 O -24.590 9.387 48.452 1.00 94.58 C -24.349 7.857 49.402 1.00 94.58 S -23.427 8.751 45.531 1.00 91.93 N -23.000 7.864 44.452 1.00 91.93 C -21.613 8.243 43.903 1.00 91.93 C -20.781 7.357 43.700 1.00 91.93 O -24.063 7.846 43.343 1.00 91.93 C -25.337 7.065 43.705 1.00 91.93 C -25.283 6.184 44.605 1.00 91.93 O -26.332 7.256 42.966 1.00 91.93 O1- -21.327 9.539 43.722 1.00 95.43 N -20.019 10.036 43.249 1.00 95.43 C -18.902 9.717 44.251 1.00 95.43 C -17.834 9.250 43.857 1.00 95.43 O -20.095 11.555 42.955 1.00 95.43 C -21.012 11.816 41.739 1.00 95.43 C -18.704 12.168 42.693 1.00 95.43 C -21.434 13.283 41.602 1.00 95.43 C -19.147 9.940 45.546 1.00 96.02 N -18.188 9.652 46.620 1.00 96.02 C -18.092 8.153 46.943 1.00 96.02 C -17.174 7.722 47.641 1.00 96.02 O -18.573 10.455 47.879 1.00 96.02 C -18.630 11.987 47.711 1.00 96.02 C -18.861 12.648 49.069 1.00 96.02 C -17.365 12.566 47.091 1.00 96.02 C -19.048 7.354 46.456 1.00 94.21 N -19.240 5.951 46.827 1.00 94.21 C -19.323 5.751 48.350 1.00 94.21 C -18.829 4.754 48.886 1.00 94.21 O -18.173 5.058 46.182 1.00 94.21 C -18.035 5.217 44.662 1.00 94.21 C -16.959 4.288 44.112 1.00 94.21 C -16.645 4.359 42.842 1.00 94.21 N -16.381 3.475 44.818 1.00 94.21 O -19.930 6.707 49.057 1.00 94.90 N -20.049 6.673 50.513 1.00 94.90 C -21.254 5.838 50.968 1.00 94.90 C -22.040 5.317 50.167 1.00 94.90 O -20.026 8.092 51.097 1.00 94.90 C -21.248 8.746 50.855 1.00 94.90 O -21.381 5.642 52.282 1.00 94.90 N -22.568 5.021 52.874 1.00 94.90 C -23.779 5.959 52.846 1.00 94.90 C -24.899 5.531 52.550 1.00 94.90 O -22.277 4.641 54.325 1.00 94.90 C -23.372 3.891 54.780 1.00 94.90 O -23.530 7.229 53.171 1.00 94.55 N -24.507 8.304 53.248 1.00 94.55 C -23.816 9.664 53.054 1.00 94.55 C -22.620 9.808 53.344 1.00 94.55 O -25.209 8.241 54.612 1.00 94.55 C -24.590 10.643 52.584 1.00 96.72 N -24.205 12.055 52.503 1.00 96.72 C -25.329 12.903 53.081 1.00 96.72 C -26.448 12.857 52.576 1.00 96.72 O -23.905 12.506 51.064 1.00 96.72 C -23.583 14.003 50.984 1.00 96.72 C -22.707 11.756 50.480 1.00 96.72 C -25.017 13.719 54.081 1.00 95.82 N -25.925 14.745 54.590 1.00 95.82 C -25.432 16.129 54.163 1.00 95.82 C -24.246 16.437 54.270 1.00 95.82 O -26.076 14.633 56.112 1.00 95.82 C -26.797 13.351 56.541 1.00 95.82 C -27.793 12.969 55.889 1.00 95.82 O -26.355 12.748 57.545 1.00 95.82 O1- -26.343 16.971 53.677 1.00 94.93 N -26.064 18.376 53.365 1.00 94.93 C -26.793 19.214 54.414 1.00 94.93 C -28.023 19.262 54.427 1.00 94.93 O -26.455 18.729 51.912 1.00 94.93 C -25.692 17.843 50.896 1.00 94.93 C -26.157 20.219 51.646 1.00 94.93 C -26.164 17.995 49.444 1.00 94.93 C -26.034 19.840 55.313 1.00 93.98 N -26.553 20.595 56.452 1.00 93.98 C -26.248 22.088 56.297 1.00 93.98 C -25.170 22.473 55.838 1.00 93.98 O -25.981 20.033 57.768 1.00 93.98 C -26.288 18.547 58.042 1.00 93.98 C -25.691 18.144 59.391 1.00 93.98 C -27.787 18.246 58.092 1.00 93.98 C -27.189 22.936 56.717 1.00 88.17 N -26.924 24.368 56.833 1.00 88.17 C -26.135 24.680 58.101 1.00 88.17 C -26.439 24.155 59.171 1.00 88.17 O -28.196 25.218 56.736 1.00 88.17 C -28.700 25.326 55.287 1.00 88.17 C -29.352 26.674 54.996 1.00 88.17 C -29.301 27.144 53.770 1.00 88.17 N -29.915 27.338 55.846 1.00 88.17 O -25.122 25.538 57.970 1.00 80.78 N -24.300 25.982 59.093 1.00 80.78 C -23.921 27.455 58.921 1.00 80.78 C -23.344 27.839 57.901 1.00 80.78 O -23.070 25.067 59.220 1.00 80.78 C -22.545 24.996 60.658 1.00 80.78 C -21.345 23.662 60.942 1.00 80.78 S -19.837 24.393 60.259 1.00 80.78 C -24.256 28.272 59.920 1.00 73.94 N -24.046 29.724 59.877 1.00 73.94 C -22.614 30.142 60.237 1.00 73.94 C -22.137 31.160 59.736 1.00 73.94 O -25.067 30.429 60.784 1.00 73.94 C -26.478 30.436 60.189 1.00 73.94 C -26.583 30.561 58.947 1.00 73.94 O -27.436 30.330 60.985 1.00 73.94 O1- -21.884 29.338 61.008 1.00 74.06 N -20.506 29.628 61.412 1.00 74.06 C -19.539 28.567 60.886 1.00 74.06 C -19.823 27.373 60.950 1.00 74.06 O -20.420 29.770 62.938 1.00 74.06 C -21.085 31.051 63.455 1.00 74.06 C -21.003 32.078 62.742 1.00 74.06 O -21.609 31.005 64.589 1.00 74.06 O1- -18.380 28.993 60.371 1.00 71.77 N -17.332 28.070 59.932 1.00 71.77 C -16.668 27.408 61.144 1.00 71.77 C -16.188 28.080 62.057 1.00 71.77 O -16.279 28.798 59.072 1.00 71.77 C -16.636 28.915 57.601 1.00 71.77 C -15.865 29.668 56.852 1.00 71.77 N -17.575 28.338 57.086 1.00 71.77 O -16.561 26.084 61.115 1.00 78.89 N -15.800 25.324 62.089 1.00 78.89 C -14.333 25.227 61.644 1.00 78.89 C -14.016 24.516 60.693 1.00 78.89 O -16.476 23.957 62.266 1.00 78.89 C -15.828 23.124 63.353 1.00 78.89 C -16.490 22.085 63.797 1.00 78.89 N -14.720 23.379 63.810 1.00 78.89 O -13.425 25.902 62.351 1.00 77.79 N -11.993 25.925 62.015 1.00 77.79 C -11.300 24.548 62.069 1.00 77.79 C -10.171 24.428 61.602 1.00 77.79 O -11.279 26.918 62.950 1.00 77.79 C -11.599 28.372 62.655 1.00 77.79 C -11.299 29.261 63.572 1.00 77.79 N -12.102 28.741 61.610 1.00 77.79 O -11.936 23.520 62.643 1.00 84.19 N -11.388 22.156 62.684 1.00 84.19 C -11.706 21.313 61.445 1.00 84.19 C -11.136 20.234 61.294 1.00 84.19 O -11.834 21.433 63.959 1.00 84.19 C -13.232 21.218 63.997 1.00 84.19 O -12.593 21.785 60.560 1.00 88.73 N -12.985 21.064 59.351 1.00 88.73 C -12.301 21.642 58.100 1.00 88.73 C -12.192 22.867 57.967 1.00 88.73 O -14.515 21.063 59.191 1.00 88.73 C -15.279 20.348 60.318 1.00 88.73 C -16.780 20.441 60.043 1.00 88.73 C -14.915 18.868 60.439 1.00 88.73 C -11.893 20.789 57.142 1.00 91.68 N -11.415 21.238 55.841 1.00 91.68 C -12.470 22.095 55.140 1.00 91.68 C -13.635 21.705 55.033 1.00 91.68 O -11.097 19.983 55.024 1.00 91.68 C -11.051 18.856 56.048 1.00 91.68 C -11.882 19.341 57.224 1.00 91.68 C -12.045 23.257 54.645 1.00 92.47 N -12.885 24.164 53.854 1.00 92.47 C -12.501 24.055 52.385 1.00 92.47 C -11.324 24.127 52.041 1.00 92.47 O -12.773 25.608 54.356 1.00 92.47 C -13.725 26.559 53.628 1.00 92.47 C -13.103 25.636 55.732 1.00 92.47 O -13.499 23.888 51.523 1.00 93.27 N -13.350 23.734 50.080 1.00 93.27 C -13.923 24.976 49.407 1.00 93.27 C -15.107 25.281 49.568 1.00 93.27 O -14.067 22.466 49.563 1.00 93.27 C -13.803 21.222 50.440 1.00 93.27 C -13.643 22.200 48.104 1.00 93.27 C -14.667 20.023 50.036 1.00 93.27 C -13.095 25.655 48.618 1.00 92.11 N -13.538 26.744 47.751 1.00 92.11 C -14.116 26.178 46.447 1.00 92.11 C -13.402 25.647 45.582 1.00 92.11 O -12.384 27.725 47.518 1.00 92.11 C -12.857 28.987 46.779 1.00 92.11 C -11.721 29.975 46.476 1.00 92.11 C -12.007 30.968 45.770 1.00 92.11 O -10.569 29.721 46.899 1.00 92.11 O1- -15.435 26.282 46.315 1.00 89.52 N -16.187 25.916 45.120 1.00 89.52 C -16.237 27.092 44.131 1.00 89.52 C -15.669 28.161 44.350 1.00 89.52 O -17.591 25.407 45.507 1.00 89.52 C -17.635 24.309 46.588 1.00 89.52 C -19.066 23.787 46.713 1.00 89.52 C -16.735 23.111 46.270 1.00 89.52 C -16.880 26.882 42.982 1.00 80.41 N -17.090 27.951 42.002 1.00 80.41 C -17.917 29.118 42.559 1.00 80.41 C -18.734 28.945 43.463 1.00 80.41 O -17.733 30.309 41.981 1.00 78.72 N -18.546 31.506 42.265 1.00 78.72 C -18.501 32.005 43.720 1.00 78.72 C -19.478 32.568 44.208 1.00 78.72 O -19.987 31.309 41.769 1.00 78.72 C -19.983 30.903 40.410 1.00 78.72 O -17.373 31.815 44.415 1.00 82.41 N -17.162 32.321 45.779 1.00 82.41 C -17.895 31.536 46.873 1.00 82.41 C -18.010 32.016 48.000 1.00 82.41 O -18.407 30.346 46.554 1.00 89.00 N -19.084 29.465 47.508 1.00 89.00 C -18.039 28.633 48.250 1.00 89.00 C -17.238 27.945 47.626 1.00 89.00 O -20.132 28.597 46.774 1.00 89.00 C -21.268 29.514 46.261 1.00 89.00 C -20.686 27.482 47.685 1.00 89.00 C -22.284 28.816 45.355 1.00 89.00 C -18.093 28.636 49.581 1.00 90.79 N -17.270 27.774 50.427 1.00 90.79 C -18.138 26.732 51.130 1.00 90.79 C -19.222 27.054 51.623 1.00 90.79 O -16.476 28.628 51.426 1.00 90.79 C -15.389 29.439 50.747 1.00 90.79 C -15.162 30.662 51.161 1.00 90.79 N -14.706 28.985 49.854 1.00 90.79 O -17.639 25.499 51.207 1.00 93.34 N -18.271 24.410 51.966 1.00 93.34 C -17.262 23.763 52.903 1.00 93.34 C -16.070 23.734 52.600 1.00 93.34 O -18.938 23.362 51.054 1.00 93.34 C -19.987 24.015 50.147 1.00 93.34 C -17.948 22.587 50.174 1.00 93.34 C -17.724 23.224 54.028 1.00 94.95 N -16.889 22.405 54.909 1.00 94.95 C -17.304 20.943 54.821 1.00 94.95 C -18.490 20.640 54.690 1.00 94.95 O -16.897 22.915 56.352 1.00 94.95 C -16.535 24.402 56.449 1.00 94.95 C -16.251 24.781 57.889 1.00 94.95 C -15.057 25.244 58.176 1.00 94.95 N -17.073 24.618 58.776 1.00 94.95 O -16.333 20.036 54.890 1.00 95.55 N -16.572 18.595 54.789 1.00 95.55 C -16.145 17.888 56.074 1.00 95.55 C -15.054 18.111 56.589 1.00 95.55 O -15.923 18.018 53.511 1.00 95.55 C -16.308 16.535 53.324 1.00 95.55 C -14.395 18.199 53.499 1.00 95.55 C -15.943 15.962 51.947 1.00 95.55 C -17.002 17.003 56.576 1.00 95.35 N -16.674 16.040 57.622 1.00 95.35 C -16.829 14.633 57.048 1.00 95.35 C -17.881 14.295 56.508 1.00 95.35 O -17.573 16.297 58.841 1.00 95.35 C -17.458 15.255 59.970 1.00 95.35 C -16.054 15.194 60.576 1.00 95.35 C -18.446 15.615 61.076 1.00 95.35 C -15.782 13.819 57.163 1.00 96.48 N -15.793 12.410 56.756 1.00 96.48 C -15.543 11.559 57.990 1.00 96.48 C -14.473 11.629 58.589 1.00 96.48 O -14.757 12.120 55.652 1.00 96.48 C -14.907 10.689 55.121 1.00 96.48 C -14.915 13.076 54.464 1.00 96.48 C -16.532 10.758 58.368 1.00 96.03 N -16.489 9.914 59.563 1.00 96.03 C -16.887 8.471 59.239 1.00 96.03 C -17.439 8.168 58.175 1.00 96.03 O -17.334 10.542 60.693 1.00 96.03 C -18.838 10.662 60.398 1.00 96.03 C -19.602 11.345 61.550 1.00 96.03 C -19.832 12.571 61.452 1.00 96.03 O -19.986 10.641 62.523 1.00 96.03 O1- -16.605 7.536 60.148 1.00 96.23 N -17.094 6.163 60.020 1.00 96.23 C -18.610 6.126 60.199 1.00 96.23 C -19.153 6.644 61.170 1.00 96.23 O -16.368 5.284 61.037 1.00 96.23 C -16.837 3.830 60.970 1.00 96.23 C -15.995 2.994 61.926 1.00 96.23 C -16.419 1.583 61.890 1.00 96.23 N -15.632 0.539 62.065 1.00 96.23 C -14.347 0.669 62.256 1.00 96.23 N1+ -16.136 -0.665 62.056 1.00 96.23 N -19.303 5.436 59.296 1.00 94.77 N -20.744 5.252 59.427 1.00 94.77 C -21.085 4.437 60.677 1.00 94.77 C -20.503 3.381 60.933 1.00 94.77 O -21.340 4.594 58.189 1.00 94.77 C -22.745 4.715 58.267 1.00 94.77 O -22.066 4.930 61.437 1.00 93.23 N -22.593 4.286 62.653 1.00 93.23 C -23.642 3.209 62.354 1.00 93.23 C -24.104 2.535 63.267 1.00 93.23 O -23.154 5.363 63.599 1.00 93.23 C -22.064 6.347 64.047 1.00 93.23 C -22.615 7.491 64.907 1.00 93.23 C -21.461 8.475 65.143 1.00 93.23 C -21.909 9.797 65.636 1.00 93.23 N1+ -24.049 3.076 61.090 1.00 93.92 N -25.041 2.101 60.624 1.00 93.92 C -24.383 0.760 60.280 1.00 93.92 C -23.164 0.648 60.157 1.00 93.92 O -25.803 2.717 59.444 1.00 93.92 C -26.863 3.740 59.861 1.00 93.92 C -27.656 4.153 58.617 1.00 93.92 C -28.570 5.278 58.876 1.00 93.92 N -29.498 5.724 58.045 1.00 93.92 C -29.784 5.110 56.928 1.00 93.92 N1+ -30.165 6.807 58.326 1.00 93.92 N -25.203 -0.273 60.121 1.00 93.84 N -24.743 -1.627 59.819 1.00 93.84 C -24.626 -1.874 58.311 1.00 93.84 C -25.263 -1.212 57.487 1.00 93.84 O -25.662 -2.651 60.492 1.00 93.84 C -25.663 -2.546 61.995 1.00 93.84 C -26.560 -1.845 62.757 1.00 93.84 C -24.775 -3.146 62.862 1.00 93.84 N -25.135 -2.819 64.114 1.00 93.84 C -26.217 -2.029 64.097 1.00 93.84 N -23.827 -2.871 57.932 1.00 92.77 N -23.674 -3.272 56.536 1.00 92.77 C -24.952 -3.905 55.992 1.00 92.77 C -25.408 -4.933 56.483 1.00 92.77 O -22.471 -4.217 56.396 1.00 92.77 C -21.156 -3.469 56.466 1.00 92.77 C -20.089 -4.115 56.868 1.00 92.77 N -21.058 -2.302 56.146 1.00 92.77 O -25.475 -3.343 54.904 1.00 93.26 N -26.521 -3.997 54.139 1.00 93.26 C -25.947 -5.255 53.453 1.00 93.26 C -25.011 -5.137 52.655 1.00 93.26 O -27.089 -3.001 53.122 1.00 93.26 C -28.349 -3.853 52.128 1.00 93.26 S -26.522 -6.457 53.648 1.00 91.58 N -25.998 -7.698 53.073 1.00 91.58 C -26.194 -7.804 51.547 1.00 91.58 C -25.678 -8.741 50.931 1.00 91.58 O -26.709 -8.815 53.847 1.00 91.58 C -28.048 -8.186 54.224 1.00 91.58 C -27.675 -6.735 54.489 1.00 91.58 C -26.919 -6.854 50.928 1.00 92.15 N -27.167 -6.791 49.479 1.00 92.15 C -26.242 -5.816 48.743 1.00 92.15 C -25.530 -6.267 47.855 1.00 92.15 O -28.659 -6.544 49.216 1.00 92.15 C -28.993 -6.583 47.719 1.00 92.15 C -30.507 -6.588 47.494 1.00 92.15 C -30.829 -6.513 46.057 1.00 92.15 N -30.926 -5.406 45.346 1.00 92.15 C -30.717 -4.242 45.885 1.00 92.15 N1+ -31.222 -5.433 44.081 1.00 92.15 N -26.244 -4.523 49.084 1.00 91.82 N -25.382 -3.530 48.416 1.00 91.82 C -24.025 -3.304 49.100 1.00 91.82 C -23.168 -2.642 48.529 1.00 91.82 O -26.124 -2.200 48.234 1.00 91.82 C -26.455 -1.407 49.835 1.00 91.82 S -23.825 -3.828 50.316 1.00 90.57 N -22.591 -3.693 51.108 1.00 90.57 C -22.199 -2.259 51.499 1.00 90.57 C -21.061 -2.022 51.906 1.00 90.57 O -21.438 -4.465 50.452 1.00 90.57 C -21.687 -5.902 50.108 1.00 90.57 C -22.588 -6.725 50.690 1.00 90.57 C -20.996 -6.709 49.112 1.00 90.57 C -21.525 -8.034 49.159 1.00 90.57 C -19.965 -6.455 48.182 1.00 90.57 C -22.525 -7.974 50.109 1.00 90.57 N -21.035 -9.062 48.340 1.00 90.57 C -19.467 -7.479 47.354 1.00 90.57 C -19.994 -8.781 47.436 1.00 90.57 C -23.142 -1.314 51.430 1.00 92.90 N -23.027 -0.012 52.099 1.00 92.90 C -23.369 -0.164 53.584 1.00 92.90 C -24.272 -0.932 53.933 1.00 92.90 O -23.892 1.052 51.392 1.00 92.90 C -23.345 1.443 50.002 1.00 92.90 C -24.164 2.556 49.312 1.00 92.90 C -23.399 3.140 48.106 1.00 92.90 C -24.158 4.183 47.356 1.00 92.90 N1+ -22.669 0.564 54.449 1.00 94.83 N -22.926 0.597 55.889 1.00 94.83 C -24.141 1.481 56.215 1.00 94.83 C -24.005 2.462 56.931 1.00 94.83 O -21.651 1.032 56.622 1.00 94.83 C -25.304 1.219 55.612 1.00 94.20 N -26.480 2.096 55.669 1.00 94.20 C -27.756 1.412 56.186 1.00 94.20 C -28.828 2.020 56.153 1.00 94.20 O -26.674 2.781 54.307 1.00 94.20 C -27.017 1.856 53.156 1.00 94.20 C -27.224 2.432 51.996 1.00 94.20 N -27.098 0.638 53.253 1.00 94.20 O -27.651 0.176 56.680 1.00 94.44 N -28.752 -0.533 57.334 1.00 94.44 C -28.960 -0.029 58.762 1.00 94.44 C -27.996 0.185 59.499 1.00 94.44 O -28.494 -2.040 57.360 1.00 94.44 C -29.620 -2.678 57.921 1.00 94.44 O -30.221 0.122 59.167 1.00 93.27 N -30.576 0.487 60.537 1.00 93.27 C -30.245 -0.626 61.551 1.00 93.27 C -29.952 -0.331 62.703 1.00 93.27 O -32.069 0.836 60.563 1.00 93.27 C -30.255 -1.890 61.118 1.00 92.27 N -30.005 -3.062 61.964 1.00 92.27 C -28.992 -4.016 61.313 1.00 92.27 C -28.862 -4.073 60.083 1.00 92.27 O -31.314 -3.820 62.225 1.00 92.27 C -32.378 -3.064 63.043 1.00 92.27 C -33.645 -3.922 63.195 1.00 92.27 C -34.779 -3.440 62.987 1.00 92.27 O -33.540 -5.156 63.365 1.00 92.27 O1- -28.291 -4.790 62.141 1.00 89.39 N -27.369 -5.836 61.695 1.00 89.39 C -28.095 -6.920 60.880 1.00 89.39 C -29.252 -7.250 61.138 1.00 89.39 O -26.613 -6.396 62.910 1.00 89.39 C -25.404 -7.256 62.509 1.00 89.39 C -24.438 -7.525 63.676 1.00 89.39 C -23.255 -7.812 63.378 1.00 89.39 O -24.849 -7.366 64.848 1.00 89.39 O1- -27.432 -7.431 59.838 1.00 85.48 N -27.944 -8.457 58.915 1.00 85.48 C -29.277 -8.141 58.196 1.00 85.48 C -29.847 -9.004 57.517 1.00 85.48 O -27.925 -9.834 59.602 1.00 85.48 C -26.508 -10.308 59.938 1.00 85.48 C -25.596 -10.028 59.119 1.00 85.48 O -26.367 -11.029 60.947 1.00 85.48 O1- -29.759 -6.891 58.250 1.00 90.93 N -30.957 -6.432 57.528 1.00 90.93 C -30.639 -5.607 56.280 1.00 90.93 C -29.564 -5.036 56.111 1.00 90.93 O -31.919 -5.704 58.479 1.00 90.93 C -32.581 -6.680 59.468 1.00 90.93 C -33.844 -6.055 60.072 1.00 90.93 C -34.497 -6.988 61.094 1.00 90.93 C -35.480 -6.243 61.918 1.00 90.93 N1+ -31.595 -5.586 55.349 1.00 92.91 N -31.532 -4.738 54.159 1.00 92.91 C -31.731 -3.266 54.542 1.00 92.91 C -32.601 -2.964 55.352 1.00 92.91 O -32.593 -5.172 53.130 1.00 92.91 C -32.422 -6.589 52.557 1.00 92.91 C -33.548 -6.867 51.563 1.00 92.91 C -31.084 -6.742 51.829 1.00 92.91 C -30.984 -2.358 53.907 1.00 93.76 N -31.326 -0.937 53.927 1.00 93.76 C -32.593 -0.675 53.105 1.00 93.76 C -32.936 -1.487 52.241 1.00 93.76 O -30.134 -0.115 53.425 1.00 93.76 C -29.761 -0.422 51.668 1.00 93.76 S -33.245 0.467 53.324 1.00 92.07 N -34.556 0.781 52.738 1.00 92.07 C -34.570 0.629 51.213 1.00 92.07 C -35.377 -0.127 50.673 1.00 92.07 O -34.981 2.194 53.164 1.00 92.07 C -35.081 2.314 54.686 1.00 92.07 C -35.554 1.336 55.309 1.00 92.07 O -34.575 3.324 55.216 1.00 92.07 O1- -33.574 1.203 50.524 1.00 91.38 N -33.394 1.056 49.069 1.00 91.38 C -33.321 -0.407 48.623 1.00 91.38 C -33.900 -0.803 47.613 1.00 91.38 O -32.114 1.805 48.658 1.00 91.38 C -31.914 1.827 47.132 1.00 91.38 C -30.554 2.417 46.750 1.00 91.38 C -29.446 1.491 47.064 1.00 91.38 N -28.187 1.670 46.712 1.00 91.38 C -27.775 2.746 46.116 1.00 91.38 N1+ -27.301 0.748 46.957 1.00 91.38 N -32.552 -1.230 49.338 1.00 92.79 N -32.398 -2.640 48.982 1.00 92.79 C -33.631 -3.465 49.332 1.00 92.79 C -33.906 -4.432 48.626 1.00 92.79 O -31.167 -3.235 49.667 1.00 92.79 C -29.667 -2.752 48.776 1.00 92.79 S -34.340 -3.106 50.404 1.00 92.89 N -35.605 -3.721 50.785 1.00 92.89 C -36.639 -3.484 49.691 1.00 92.89 C -37.145 -4.450 49.139 1.00 92.89 O -36.029 -3.168 52.150 1.00 92.89 C -37.312 -3.839 52.639 1.00 92.89 C -37.711 -3.271 53.999 1.00 92.89 C -39.047 -3.887 54.408 1.00 92.89 C -39.555 -3.241 55.640 1.00 92.89 N1+ -36.807 -2.238 49.261 1.00 90.51 N -37.722 -1.869 48.179 1.00 90.51 C -37.396 -2.590 46.858 1.00 90.51 C -38.281 -3.071 46.152 1.00 90.51 O -37.626 -0.352 47.989 1.00 90.51 C -38.896 0.218 47.356 1.00 90.51 C -38.658 1.610 46.763 1.00 90.51 C -39.329 1.893 45.747 1.00 90.51 O -37.762 2.323 47.267 1.00 90.51 O1- -36.108 -2.718 46.520 1.00 90.85 N -35.684 -3.446 45.326 1.00 90.85 C -35.956 -4.957 45.395 1.00 90.85 C -36.228 -5.576 44.367 1.00 90.85 O -34.203 -3.151 45.065 1.00 90.85 C -35.855 -5.562 46.581 1.00 91.40 N -36.148 -6.988 46.784 1.00 91.40 C -37.652 -7.232 46.830 1.00 91.40 C -38.108 -8.195 46.219 1.00 91.40 O -35.440 -7.522 48.042 1.00 91.40 C -35.883 -8.941 48.426 1.00 91.40 C -33.925 -7.595 47.789 1.00 91.40 C -38.410 -6.351 47.478 1.00 88.95 N -39.866 -6.445 47.572 1.00 88.95 C -40.501 -6.377 46.173 1.00 88.95 C -41.346 -7.210 45.850 1.00 88.95 O -40.401 -5.353 48.522 1.00 88.95 C -40.032 -5.563 50.006 1.00 88.95 C -39.580 -6.675 50.371 1.00 88.95 O -40.214 -4.612 50.804 1.00 88.95 O1- -40.003 -5.503 45.286 1.00 84.03 N -40.461 -5.446 43.891 1.00 84.03 C -40.124 -6.720 43.080 1.00 84.03 C -40.817 -7.057 42.127 1.00 84.03 O -39.892 -4.183 43.215 1.00 84.03 C -40.521 -3.853 41.874 1.00 84.03 C -40.280 -2.751 41.097 1.00 84.03 C -41.478 -4.589 41.213 1.00 84.03 N -41.781 -3.973 40.065 1.00 84.03 C -41.059 -2.848 39.935 1.00 84.03 N -39.073 -7.468 43.428 1.00 82.65 N -38.792 -8.757 42.774 1.00 82.65 C -39.707 -9.887 43.269 1.00 82.65 C -39.779 -10.932 42.620 1.00 82.65 O -37.320 -9.142 42.996 1.00 82.65 C -36.312 -8.304 42.196 1.00 82.65 C -34.904 -8.588 42.729 1.00 82.65 C -36.332 -8.653 40.705 1.00 82.65 C -40.324 -9.717 44.442 1.00 75.68 N -41.253 -10.687 45.025 1.00 75.68 C -42.714 -10.408 44.657 1.00 75.68 C -43.515 -11.343 44.707 1.00 75.68 O -41.089 -10.732 46.550 1.00 75.68 C -39.716 -11.260 46.975 1.00 75.68 C -39.654 -11.808 48.705 1.00 75.68 S -37.918 -12.296 48.817 1.00 75.68 C -43.044 -9.158 44.309 1.00 70.00 N -44.314 -8.767 43.682 1.00 70.00 C -44.374 -9.229 42.233 1.00 70.00 C -45.412 -9.807 41.847 1.00 70.00 O -44.492 -7.249 43.756 1.00 70.00 C -43.512 -6.649 42.938 1.00 70.00 O -43.374 -8.923 41.542 1.00 70.00 O1- id="glmol01_rep" style="display: none;"> ,1043,1051,1795,1803,1812,1823,1832,1840,1849,1856,1863,1875,1889,1916,1927,1934,1974,1982,1991,2003,2028,2038,2047,2053,2061,2066,2071,2083,2090,2099,2110,2273,2281,2293,2299,2307,2315,2329,2407,2418,2423,2431,2437,2484,2490,2502,2508,2516,2524,2535,2557,2566,2574,2582,2590,2597,2707,2716,2723,2731,2740,2749,2760,2929,2936,2944,2952,3035,3042,3052,3628,3640,3649,3655,3665,3674,3686,3693,3709,3721,3728,3740,3811,3819,3827,3838,3843,3850,3857,3866,3880,3891,3896,4022,4031,4042,4181,4190,4204,4316,4327,4339,4769,4781,4787,5102,5109,5115,5123,5132,5348,5357,5364,5372,5379,7472,7478,7488,7495,7502,7510,7521,7671,7676,7683,7691,7699,7707,7785,7792,7800,7809,7817,7831,7839,7847,7854,7863,7871,7879,7886,7895 121,129,135,144,155,167,199,204,216,225,234,348,356,365,373,380,388,399,408,416,424,431,440,446,452,461,469,476,488,497,506,515,523,534,542,553,564,573,582,593,599,631,638,646,655,664,672,681,692,700,709,718,854,862,866,876,881,889,897,906,914,922,931,939,947,955,963,974,986,995,1003,1009,1136,1144,1151,1159,1168,1176,1185,1190,1198,1229,1234,1243,1252,1260,1269,1289,1296,1304,1313,1321,1332,1338,1346,1351,1359,1368,1378,1383,1392,1401,1406,1414,1423,1434,1443,1454,1463,1470,1481,1490,1500,1627,1636,1644,1656,1665,1673,1681,1690,1698,1706,1714,1725,1734,1743,1751,1763,1772,2134,2143,2152,2158,2167,2175,2183,2191,2197,2206,2215,2349,2356,2370,2377,2385,2393,2606,2613,2617,2623,2631,2639,2648,2769,2773,2780,2790,3089,3098,3106,3114,3126,3134,3142,3146,3154,3163,3335,3344,3350,3357,3368,3374,3382,3500,3505,3514,3521,3526,3535,3543,3551,3559,3565,3574,3582,3588,3596,3912,3922,3930,3937,3946,3954,3962,3967,3975,3984,3990,3998,4004,4055,4064,4075,4079,4091,4097,4108,4116,4122,4128,4139,4147,4156,4424,4430,4439,4447,4455,4460,4470,4475,4483,4492,4501,4509,4518,4527,4540,4548,4556,4561,4575,4635,4643,4652,4661,4690,4699,4708,4720,4730,4738,4745,4750,4760,4844,4851,4865,4876,4884,4890,4894,4900,4906,4920,4926,4933,4941,4950,4958,4969,4981,4990,4999,5005,5136,5142,5150,5159,5169,5180,5184,5198,5209,5218,5224,5230,5238,5246,5253,5262,5269,5274,5280,5534,5541,5550,5555,5563,5571,5594,5603,5611,5655,5662,5670,5674,5682,5693,5705,5713,5721,5726,5806,5813,5820,5827,5835,5844,5854,5861,5865,5874,5879,5887,5896,5905,5912,5923,5931,5938,5949,5960,5972,5980,5988,5994,6093,6101,6110,6138,6149,6156,6164,6173,6185,6192,6200,6212,6221,6229,6237,6246,6254,6262,6271,6278,6285,6296,6305,6315,6327,6336,6365,6376,6382,6391,6398,6406,6414,6421,6429,6438,6450,6460,6468,6476,6484,6493,6501,6507,6512,6523,6535,6546,6554,6562,6568,6577,6585,6593,6601,6613,6656,6664,6669,6680,6691,6700,6707,6716,6723,6730,6738,6745,6755,6763,6771,6779,6784,6796,6807,6812,6820,6828,6833,6840,6856,6863,6870,6878,6885,6894,6903,6910,6924,6933,7169,7176,7185,7193,7200,7207,7213,7224,7233,7241,7252,7261,7269,7278,7286,7294,7303,7312,7323,7332,7341,7350,7361,7370,7381,7389,7395,7403,7412,7448,7455,7462,7589,7595,7603,7612,7620,7626,7634,7642,8076,8084,8095,8101,8110,8119,8124,8131,8139,8149,8157 5691,5704-5733,5740-5758,5773-5811,5819-8170 92-5703,5734-5739,5759-5772,5812-5818 251.148,-84.880,84.880,0.450,20.000,-1.000,-0.000,0.000,0.000,-1.000,0.000,0.000,0.000,1.000 id="glmol01_viewbox" style="left: 30%; z-index:1;"> style="overflow: auto;"> type="radio" value="true" checked>Use imported representation
style="border: 2px solid white; position: absolute; color: white; left: 10%; top: 10%; padding: 5px; z-index:101;"> from server... It may take a while.

If you believe something went wrong, please make sure PDB ID is correct.
Please also make sure that WebGL is enabled in your browser.

Internet Explorer: sorry. IE doesn't support WebGL.
Firefox (version 4 or later): try force enable WebGL.
Chrome: try force enable WebGL.
Safari: enable WebGL.

References

[701, Phos]	Bai Y, Chen B, Li M, et al (2017) FPD: A comprehensive phosphorylation database in fungi. Fungal Biology 121:869–875. (Publication) (All modifications)
[701, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)
[706, Phos]	Bai Y, Chen B, Li M, et al (2017) FPD: A comprehensive phosphorylation database in fungi. Fungal Biology 121:869–875. (Publication) (All modifications)
[706, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)
[709, Phos]	Bai Y, Chen B, Li M, et al (2017) FPD: A comprehensive phosphorylation database in fungi. Fungal Biology 121:869–875. (Publication) (All modifications)
[709, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)
[710, Phos]	Bai Y, Chen B, Li M, et al (2017) FPD: A comprehensive phosphorylation database in fungi. Fungal Biology 121:869–875. (Publication) (All modifications)
[710, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)
[717, Phos]	Bai Y, Chen B, Li M, et al (2017) FPD: A comprehensive phosphorylation database in fungi. Fungal Biology 121:869–875. (Publication) (All modifications)
[717, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)