P53933 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	Phosphatidate phosphatase APP1 (PAP) (EC 3.1.3.4) (Actin patch protein 1)
Uniprot ID	P53933
Systematic gene name	YNL094W
Standard gene name	APP1
Gene names	APP1 YNL094W N2219
Description from SGD	YNL094W APP1 SGDID:S000005038, Chr XIV from 447611-449374, Genome Release 64-3-1, Verified ORF, "Phosphatidate phosphatase, converts phosphatidate to diacylglycerol; App1p, Pah1p, Dpp1p, and Lpp1p are responsible for all the phosphatidate phosphatase activity; component of cortical actin patches; interacts with components of endocytic pathway"
Protein length	587
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MNSQGYDESS SSTAATSGPT SGDPRMGKKQ RFMNLIRTTK DVYIPNLTSS
ISQKTMDGIR STTNSFEGYN DLPMELPHNT TITYFPTYTT TNLVDPDGLS
APRKDFETTV RCAVSYPGNP TSRRNRWLLS LCKQYLRTGT AEADVAPVVP
PHLEEDSGDL NDSQSSIESS LSSKSENRYS HMGIQEEDVL NERIQGFLSK
KVPNTPVVVD LLPKDKLRGD TASFFGTTDS YGNLLIKAET DFLPSKINIT
LDTPIEGHAD PISETFPANY VSPYGIGLIS DIDDTIKHTG VTGDRRSMFR
NVFIHDVQSW VIDGVPLWYK TLHDVADVDF FYVSNSPIQT FTLLKQYICA
NFPPGPIFLK QYSGNFFSTI MTSSANRKIQ PIANILKDFP KKKFILVGDS
GEHDLEAYTT TALQFPNQIL AIYIRCCSNS MSDVPSHDEE VMNEVNNIIE
LQQRPMQMTK STVRTRRRPP PPPIPSTQKP SLTEEQTESI RMSRRNKDEN
NAKRVAPPPL PNRQLPNLDA NTYYVPSSQN DYGMYGAFMD KKADEWKRRV
MDSIQKLSNQ DTTLMFFSDP ALSLEDSIRR IREKYSN

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;"> -19.648 4.594-101.617 1.00 34.36 N -20.345 3.438-101.015 1.00 34.36 C -20.556 3.762 -99.542 1.00 34.36 C -19.558 4.008 -98.884 1.00 34.36 O -19.539 2.142-101.219 1.00 34.36 C -19.792 1.524-102.601 1.00 34.36 C -18.728 0.102-102.960 1.00 34.36 S -19.867 -0.961-103.892 1.00 34.36 C -21.832 3.836 -99.123 1.00 36.37 N -22.411 4.205 -97.804 1.00 36.37 C -22.042 5.627 -97.315 1.00 36.37 C -20.890 5.863 -96.992 1.00 36.37 O -22.074 3.093 -96.789 1.00 36.37 C -22.602 1.719 -97.185 1.00 36.37 C -22.361 0.715 -96.377 1.00 36.37 N -23.207 1.521 -98.230 1.00 36.37 O -22.867 6.688 -97.313 1.00 27.76 N -24.322 6.907 -97.144 1.00 27.76 C -24.905 6.400 -95.814 1.00 27.76 C -24.780 5.215 -95.522 1.00 27.76 O -25.172 6.500 -98.352 1.00 27.76 C -26.525 6.855 -98.148 1.00 27.76 O -25.600 7.323 -95.118 1.00 36.37 N -26.227 7.309 -93.776 1.00 36.37 C -25.259 7.737 -92.651 1.00 36.37 C -24.326 7.014 -92.341 1.00 36.37 O -26.960 5.986 -93.481 1.00 36.37 C -27.988 5.620 -94.567 1.00 36.37 C -28.807 4.377 -94.236 1.00 36.37 C -29.752 4.018 -95.077 1.00 36.37 N -28.639 3.703 -93.235 1.00 36.37 O -25.333 8.916 -92.022 1.00 28.99 N -26.440 9.858 -91.833 1.00 28.99 C -27.098 9.626 -90.471 1.00 28.99 C -28.071 8.888 -90.420 1.00 28.99 O -26.558 10.236 -89.408 1.00 32.97 N -27.282 10.551 -88.170 1.00 32.97 C -26.734 11.854 -87.581 1.00 32.97 C -25.548 11.964 -87.269 1.00 32.97 O -27.250 9.413 -87.137 1.00 32.97 C -28.347 8.393 -87.366 1.00 32.97 C -29.679 8.706 -87.024 1.00 32.97 C -28.052 7.167 -87.992 1.00 32.97 C -30.717 7.806 -87.331 1.00 32.97 C -29.087 6.269 -88.311 1.00 32.97 C -30.422 6.593 -87.986 1.00 32.97 C -31.423 5.731 -88.310 1.00 32.97 O -27.639 12.823 -87.506 1.00 28.87 N -27.461 14.196 -87.061 1.00 28.87 C -27.635 14.365 -85.541 1.00 28.87 C -28.348 13.614 -84.878 1.00 28.87 O -28.490 15.082 -87.802 1.00 28.87 C -28.041 15.500 -89.204 1.00 28.87 C -26.865 15.910 -89.330 1.00 28.87 O -28.859 15.370 -90.144 1.00 28.87 O1- -27.007 15.446 -85.073 1.00 28.05 N -27.441 16.383 -84.028 1.00 28.05 C -27.479 15.998 -82.532 1.00 28.05 C -28.386 15.370 -82.002 1.00 28.05 O -28.684 17.167 -84.486 1.00 28.05 C -28.271 18.303 -85.441 1.00 28.05 C -29.435 19.206 -85.875 1.00 28.05 C -29.128 20.248 -86.500 1.00 28.05 O -30.602 18.892 -85.552 1.00 28.05 O1- -26.516 16.617 -81.833 1.00 25.67 N -26.679 17.465 -80.639 1.00 25.67 C -27.373 16.899 -79.394 1.00 25.67 C -28.583 16.718 -79.342 1.00 25.67 O -27.317 18.809 -81.031 1.00 25.67 C -28.689 18.688 -81.327 1.00 25.67 O -26.634 16.836 -78.285 1.00 29.48 N -26.703 17.850 -77.213 1.00 29.48 C -25.906 17.399 -75.986 1.00 29.48 C -25.925 16.244 -75.569 1.00 29.48 O -28.130 18.252 -76.794 1.00 29.48 C -29.009 17.158 -76.731 1.00 29.48 O -25.158 18.344 -75.421 1.00 26.13 N -24.416 18.193 -74.178 1.00 26.13 C -25.371 18.072 -72.987 1.00 26.13 C -26.156 18.989 -72.746 1.00 26.13 O -23.530 19.433 -73.988 1.00 26.13 C -24.314 20.610 -73.913 1.00 26.13 O -25.233 17.025 -72.175 1.00 29.22 N -25.683 17.051 -70.782 1.00 29.22 C -24.518 16.662 -69.879 1.00 29.22 C -24.102 15.505 -69.812 1.00 29.22 O -26.937 16.202 -70.546 1.00 29.22 C -26.654 14.822 -70.617 1.00 29.22 O -23.975 17.675 -69.218 1.00 30.90 N -23.062 17.601 -68.083 1.00 30.90 C -23.627 16.681 -67.001 1.00 30.90 C -24.765 16.837 -66.559 1.00 30.90 O -22.848 19.022 -67.514 1.00 30.90 C -21.519 19.611 -67.980 1.00 30.90 C -23.841 19.928 -67.966 1.00 30.90 O -22.816 15.707 -66.586 1.00 31.61 N -23.131 14.752 -65.535 1.00 31.61 C -23.394 15.479 -64.207 1.00 31.61 C -22.504 16.109 -63.637 1.00 31.61 O -21.968 13.756 -65.433 1.00 31.61 C -24.633 15.392 -63.729 1.00 28.89 N -25.030 15.860 -62.414 1.00 28.89 C -24.408 14.958 -61.339 1.00 28.89 C -24.792 13.802 -61.168 1.00 28.89 O -26.563 15.890 -62.348 1.00 28.89 C -23.441 15.502 -60.607 1.00 31.92 N -22.877 14.915 -59.392 1.00 31.92 C -23.961 14.905 -58.312 1.00 31.92 C -24.331 15.948 -57.773 1.00 31.92 O -21.642 15.716 -58.926 1.00 31.92 C -20.589 14.816 -58.284 1.00 31.92 C -21.010 16.362 -60.010 1.00 31.92 O -24.517 13.733 -58.011 1.00 29.87 N -25.509 13.550 -56.951 1.00 29.87 C -24.860 13.746 -55.575 1.00 29.87 C -24.217 12.840 -55.045 1.00 29.87 O -26.154 12.165 -57.081 1.00 29.87 C -25.158 11.162 -57.099 1.00 29.87 O -25.015 14.944 -55.009 1.00 29.86 N -24.738 15.227 -53.600 1.00 29.86 C -25.754 14.545 -52.667 1.00 29.86 C -26.846 14.175 -53.107 1.00 29.86 O -25.415 14.356 -51.379 1.00 36.92 N -26.215 13.571 -50.449 1.00 36.92 C -27.560 14.253 -50.189 1.00 36.92 C -27.635 15.367 -49.673 1.00 36.92 O -25.358 13.424 -49.188 1.00 36.92 C -24.462 14.663 -49.221 1.00 36.92 C -24.254 14.918 -50.712 1.00 36.92 C -28.632 13.557 -50.557 1.00 34.66 N -30.017 13.971 -50.345 1.00 34.66 C -30.286 14.230 -48.865 1.00 34.66 C -30.036 13.370 -48.015 1.00 34.66 O -30.976 12.887 -50.857 1.00 34.66 C -30.943 12.775 -52.381 1.00 34.66 C -30.599 11.637 -50.320 1.00 34.66 O -30.832 15.411 -48.581 1.00 42.28 N -31.420 15.803 -47.305 1.00 42.28 C -32.337 14.698 -46.767 1.00 42.28 C -33.263 14.243 -47.435 1.00 42.28 O -32.192 17.118 -47.503 1.00 42.28 C -32.935 17.104 -48.711 1.00 42.28 O -32.036 14.213 -45.561 1.00 42.22 N -32.736 13.080 -44.962 1.00 42.22 C -34.213 13.374 -44.700 1.00 42.22 C -34.546 14.391 -44.093 1.00 42.22 O -35.086 12.451 -45.108 1.00 45.93 N -36.521 12.513 -44.823 1.00 45.93 C -36.761 12.616 -43.295 1.00 45.93 C -36.299 11.752 -42.527 1.00 45.93 O -37.224 11.290 -45.442 1.00 45.93 C -38.760 11.323 -45.355 1.00 45.93 C -39.308 12.076 -44.514 1.00 45.93 O -39.393 10.536 -46.084 1.00 45.93 O1- -37.460 13.664 -42.812 1.00 54.93 N -37.710 13.883 -41.391 1.00 54.93 C -38.590 12.811 -40.723 1.00 54.93 C -38.707 12.825 -39.500 1.00 54.93 O -38.308 15.294 -41.291 1.00 54.93 C -38.916 15.540 -42.669 1.00 54.93 C -37.981 14.777 -43.596 1.00 54.93 C -39.162 11.848 -41.462 1.00 47.47 N -40.023 10.789 -40.892 1.00 47.47 C -39.284 9.533 -40.405 1.00 47.47 C -39.921 8.623 -39.882 1.00 47.47 O -41.137 10.441 -41.890 1.00 47.47 C -41.987 11.668 -42.250 1.00 47.47 C -43.097 11.276 -43.226 1.00 47.47 C -43.551 12.445 -43.995 1.00 47.47 N -44.533 12.467 -44.875 1.00 47.47 C -45.306 11.435 -45.070 1.00 47.47 N1+ -44.754 13.536 -45.587 1.00 47.47 N -37.957 9.451 -40.537 1.00 61.37 N -37.191 8.260 -40.129 1.00 61.37 C -36.677 8.325 -38.680 1.00 61.37 C -35.923 9.229 -38.308 1.00 61.37 O -36.039 8.002 -41.104 1.00 61.37 C -36.535 7.544 -42.479 1.00 61.37 C -35.206 6.926 -43.548 1.00 61.37 S -34.323 8.474 -43.882 1.00 61.37 C -37.022 7.309 -37.877 1.00 57.02 N -36.577 7.152 -36.486 1.00 57.02 C -35.063 6.925 -36.323 1.00 57.02 C -34.381 6.442 -37.228 1.00 57.02 O -34.529 7.247 -35.131 1.00 71.37 N -33.080 7.252 -34.808 1.00 71.37 C -32.343 5.959 -35.196 1.00 71.37 C -31.252 6.030 -35.754 1.00 71.37 O -32.864 7.530 -33.304 1.00 71.37 C -33.184 8.975 -32.874 1.00 71.37 C -32.910 9.179 -31.370 1.00 71.37 C -33.217 10.620 -30.926 1.00 71.37 C -33.016 10.816 -29.463 1.00 71.37 N1+ -32.951 4.789 -34.960 1.00 65.69 N -32.369 3.480 -35.314 1.00 65.69 C -32.169 3.330 -36.826 1.00 65.69 C -31.141 2.826 -37.258 1.00 65.69 O -33.248 2.356 -34.730 1.00 65.69 C -32.618 0.960 -34.886 1.00 65.69 C -33.473 -0.121 -34.205 1.00 65.69 C -32.843 -1.509 -34.396 1.00 65.69 C -33.616 -2.578 -33.709 1.00 65.69 N1+ -33.110 3.824 -37.630 1.00 68.34 N -33.019 3.779 -39.089 1.00 68.34 C -31.931 4.724 -39.613 1.00 68.34 C -31.184 4.352 -40.511 1.00 68.34 O -34.388 4.132 -39.688 1.00 68.34 C -34.550 3.622 -41.137 1.00 68.34 C -35.650 2.575 -41.322 1.00 68.34 C -35.784 2.014 -42.502 1.00 68.34 N -36.406 2.239 -40.427 1.00 68.34 O -31.781 5.912 -39.004 1.00 70.59 N -30.693 6.854 -39.329 1.00 70.59 C -29.314 6.244 -39.075 1.00 70.59 C -28.441 6.356 -39.926 1.00 70.59 O -30.847 8.167 -38.545 1.00 70.59 C -32.066 8.988 -38.986 1.00 70.59 C -32.093 10.324 -38.234 1.00 70.59 C -33.153 11.212 -38.743 1.00 70.59 N -33.230 12.523 -38.583 1.00 70.59 C -32.397 13.180 -37.821 1.00 70.59 N1+ -34.154 13.204 -39.197 1.00 70.59 N -29.142 5.558 -37.946 1.00 72.50 N -27.897 4.857 -37.622 1.00 72.50 C -27.613 3.697 -38.588 1.00 72.50 C -26.503 3.580 -39.094 1.00 72.50 O -27.975 4.375 -36.172 1.00 72.50 C -26.720 3.678 -35.693 1.00 72.50 C -26.716 2.285 -35.490 1.00 72.50 C -25.556 4.427 -35.435 1.00 72.50 C -25.566 1.654 -34.988 1.00 72.50 C -24.397 3.789 -34.962 1.00 72.50 C -24.406 2.405 -34.727 1.00 72.50 C -28.622 2.884 -38.918 1.00 68.49 N -28.458 1.788 -39.884 1.00 68.49 C -28.157 2.289 -41.302 1.00 68.49 C -27.360 1.670 -42.004 1.00 68.49 O -29.707 0.896 -39.898 1.00 68.49 C -29.871 0.085 -38.606 1.00 68.49 C -28.513 -1.039 -38.180 1.00 68.49 S -28.639 -2.268 -39.506 1.00 68.49 C -28.749 3.414 -41.716 1.00 73.92 N -28.432 4.044 -42.996 1.00 73.92 C -27.003 4.594 -43.007 1.00 73.92 C -26.326 4.411 -44.009 1.00 73.92 O -29.464 5.135 -43.324 1.00 73.92 C -30.811 4.586 -43.765 1.00 73.92 C -31.792 5.448 -43.907 1.00 73.92 N -31.009 3.406 -44.005 1.00 73.92 O -26.530 5.179 -41.898 1.00 75.85 N -25.137 5.610 -41.745 1.00 75.85 C -24.165 4.425 -41.827 1.00 75.85 C -23.146 4.531 -42.494 1.00 75.85 O -24.982 6.374 -40.415 1.00 75.85 C -23.586 6.991 -40.201 1.00 75.85 C -23.339 8.173 -41.141 1.00 75.85 C -23.463 7.485 -38.759 1.00 75.85 C -24.489 3.291 -41.195 1.00 73.34 N -23.682 2.063 -41.289 1.00 73.34 C -23.669 1.510 -42.717 1.00 73.34 C -22.637 1.030 -43.181 1.00 73.34 O -24.165 1.001 -40.274 1.00 73.34 C -23.765 1.450 -38.853 1.00 73.34 C -23.567 -0.392 -40.575 1.00 73.34 C -24.300 0.547 -37.739 1.00 73.34 C -24.802 1.546 -43.429 1.00 66.36 N -24.849 1.101 -44.829 1.00 66.36 C -24.043 2.013 -45.736 1.00 66.36 C -23.247 1.504 -46.507 1.00 66.36 O -26.280 0.981 -45.353 1.00 66.36 C -26.879 -0.383 -45.011 1.00 66.36 C -28.237 -0.504 -45.700 1.00 66.36 C -28.933 -1.740 -45.305 1.00 66.36 N -30.194 -2.025 -45.566 1.00 66.36 C -30.957 -1.209 -46.239 1.00 66.36 N1+ -30.715 -3.148 -45.156 1.00 66.36 N -24.183 3.331 -45.616 1.00 69.56 N -23.391 4.255 -46.434 1.00 69.56 C -21.907 4.175 -46.103 1.00 69.56 C -21.098 4.216 -47.025 1.00 69.56 O -23.869 5.706 -46.325 1.00 69.56 C -25.162 5.936 -47.102 1.00 69.56 C -24.118 6.082 -44.994 1.00 69.56 O -21.514 3.986 -44.837 1.00 62.73 N -20.097 3.763 -44.514 1.00 62.73 C -19.588 2.441 -45.077 1.00 62.73 C -18.497 2.406 -45.641 1.00 62.73 O -19.768 3.859 -43.022 1.00 62.73 C -19.893 5.289 -42.500 1.00 62.73 C -20.599 3.034 -42.252 1.00 62.73 O -20.394 1.375 -45.013 1.00 62.98 N -20.083 0.092 -45.647 1.00 62.98 C -19.932 0.217 -47.165 1.00 62.98 C -18.920 -0.215 -47.699 1.00 62.98 O -21.111 -0.966 -45.220 1.00 62.98 C -21.026 -2.232 -46.081 1.00 62.98 C -21.835 -3.393 -45.508 1.00 62.98 C -21.852 -4.489 -46.579 1.00 62.98 C -21.760 -5.848 -45.996 1.00 62.98 N1+ -20.898 0.806 -47.853 1.00 56.49 N -20.937 0.795 -49.317 1.00 56.49 C -19.933 1.779 -49.937 1.00 56.49 C -19.424 1.523 -51.023 1.00 56.49 O -22.377 1.055 -49.795 1.00 56.49 C -23.377 -0.042 -49.383 1.00 56.49 C -22.955 -1.203 -49.157 1.00 56.49 O -24.584 0.282 -49.277 1.00 56.49 O1- -19.601 2.879 -49.247 1.00 62.01 N -18.670 3.901 -49.762 1.00 62.01 C -17.225 3.641 -49.334 1.00 62.01 C -16.313 3.813 -50.139 1.00 62.01 O -19.128 5.317 -49.356 1.00 62.01 C -18.184 6.413 -49.867 1.00 62.01 C -20.527 5.627 -49.912 1.00 62.01 C -16.989 3.224 -48.086 1.00 48.23 N -15.627 3.158 -47.540 1.00 48.23 C -15.042 1.744 -47.501 1.00 48.23 C -13.822 1.612 -47.419 1.00 48.23 O -15.557 3.848 -46.171 1.00 48.23 C -15.845 5.338 -46.212 1.00 48.23 C -14.789 6.255 -46.362 1.00 48.23 C -17.166 5.808 -46.120 1.00 48.23 C -15.052 7.638 -46.395 1.00 48.23 C -17.438 7.189 -46.132 1.00 48.23 C -16.378 8.107 -46.269 1.00 48.23 C -16.637 9.440 -46.290 1.00 48.23 O -15.859 0.686 -47.599 1.00 51.26 N -15.347 -0.694 -47.563 1.00 51.26 C -14.846 -1.220 -48.920 1.00 51.26 C -13.863 -1.960 -48.901 1.00 51.26 O -16.283 -1.665 -46.799 1.00 51.26 C -16.527 -1.107 -45.372 1.00 51.26 C -15.700 -3.087 -46.724 1.00 51.26 C -17.371 -1.992 -44.444 1.00 51.26 C -15.363 -0.836 -50.107 1.00 45.65 N -14.781 -1.324 -51.364 1.00 45.65 C -13.321 -0.880 -51.554 1.00 45.65 C -12.502 -1.646 -52.068 1.00 45.65 O -15.685 -0.801 -52.482 1.00 45.65 C -17.003 -0.492 -51.780 1.00 45.65 C -16.568 -0.067 -50.380 1.00 45.65 C -12.962 0.303 -51.043 1.00 37.69 N -11.599 0.837 -51.121 1.00 37.69 C -10.612 0.176 -50.139 1.00 37.69 C -9.405 0.390 -50.261 1.00 37.69 O -11.645 2.368 -50.973 1.00 37.69 C -12.201 3.068 -52.204 1.00 37.69 C -12.342 4.371 -52.155 1.00 37.69 N -12.517 2.475 -53.220 1.00 37.69 O -11.082 -0.678 -49.217 1.00 41.24 N -10.193 -1.495 -48.380 1.00 41.24 C -9.532 -2.635 -49.172 1.00 41.24 C -8.455 -3.100 -48.798 1.00 41.24 O -10.949 -2.021 -47.144 1.00 41.24 C -10.979 -1.001 -45.990 1.00 41.24 C -12.129 -1.287 -45.026 1.00 41.24 C -9.688 -1.073 -45.172 1.00 41.24 C -10.125 -3.060 -50.294 1.00 39.96 N -9.548 -4.127 -51.130 1.00 39.96 C -8.285 -3.661 -51.861 1.00 39.96 C -7.319 -4.416 -51.945 1.00 39.96 O -10.567 -4.714 -52.117 1.00 39.96 C -11.857 -5.170 -51.432 1.00 39.96 C -10.921 -3.784 -53.112 1.00 39.96 O -8.222 -2.391 -52.282 1.00 43.79 N -7.013 -1.806 -52.875 1.00 43.79 C -5.914 -1.519 -51.848 1.00 43.79 C -4.737 -1.589 -52.193 1.00 43.79 O -7.348 -0.544 -53.678 1.00 43.79 C -8.200 0.341 -52.970 1.00 43.79 O -6.254 -1.254 -50.580 1.00 47.02 N -5.245 -1.046 -49.526 1.00 47.02 C -4.648 -2.345 -48.975 1.00 47.02 C -3.574 -2.317 -48.378 1.00 47.02 O -5.802 -0.190 -48.388 1.00 47.02 C -6.971 -0.752 -47.830 1.00 47.02 O -5.301 -3.490 -49.199 1.00 40.01 N -4.782 -4.810 -48.800 1.00 40.01 C -3.689 -5.332 -49.757 1.00 40.01 C -3.006 -6.303 -49.443 1.00 40.01 O -5.982 -5.756 -48.525 1.00 40.01 C -6.442 -5.491 -47.069 1.00 40.01 C -5.701 -7.253 -48.737 1.00 40.01 C -7.844 -6.006 -46.733 1.00 40.01 C -3.411 -4.650 -50.874 1.00 49.47 N -2.455 -5.144 -51.879 1.00 49.47 C -0.979 -4.741 -51.688 1.00 49.47 C -0.182 -5.005 -52.585 1.00 49.47 O -2.957 -4.830 -53.290 1.00 49.47 C -2.232 -5.597 -54.230 1.00 49.47 O -0.558 -4.155 -50.562 1.00 45.41 N 0.881 -3.898 -50.329 1.00 45.41 C 1.363 -4.315 -48.940 1.00 45.41 C 2.225 -5.179 -48.840 1.00 45.41 O 1.247 -2.446 -50.691 1.00 45.41 C 1.880 -2.385 -52.095 1.00 45.41 C 2.136 -0.970 -52.601 1.00 45.41 C 2.906 -0.816 -53.655 1.00 45.41 N 1.632 0.018 -52.094 1.00 45.41 O 0.755 -3.822 -47.856 1.00 44.97 N 1.285 -4.088 -46.505 1.00 44.97 C 1.079 -5.518 -46.007 1.00 44.97 C 1.939 -6.041 -45.309 1.00 44.97 O 0.736 -3.070 -45.504 1.00 44.97 C 1.435 -1.714 -45.671 1.00 44.97 C 1.003 -0.761 -44.553 1.00 44.97 C 1.817 0.534 -44.618 1.00 44.97 C 1.548 1.398 -43.441 1.00 44.97 N1+ -0.007 -6.189 -46.392 1.00 51.49 N -0.161 -7.624 -46.098 1.00 51.49 C 0.802 -8.457 -46.943 1.00 51.49 C 1.285 -9.481 -46.476 1.00 51.49 O -1.607 -8.098 -46.304 1.00 51.49 C -1.888 -9.428 -45.606 1.00 51.49 C -2.507 -7.160 -45.758 1.00 51.49 O 1.159 -7.998 -48.150 1.00 39.29 N 2.234 -8.630 -48.915 1.00 39.29 C 3.602 -8.399 -48.276 1.00 39.29 C 4.389 -9.334 -48.281 1.00 39.29 O 2.236 -8.198 -50.388 1.00 39.29 C 1.245 -9.024 -51.210 1.00 39.29 C 1.617 -9.024 -52.985 1.00 39.29 S 0.629 -10.456 -53.492 1.00 39.29 C 3.873 -7.243 -47.671 1.00 44.04 N 5.130 -7.004 -46.949 1.00 44.04 C 5.201 -7.805 -45.638 1.00 44.04 C 6.240 -8.384 -45.332 1.00 44.04 O 5.330 -5.499 -46.719 1.00 44.04 C 5.513 -4.720 -48.030 1.00 44.04 C 6.062 -5.300 -48.999 1.00 44.04 O 5.067 -3.549 -48.057 1.00 44.04 O1- 4.079 -7.944 -44.922 1.00 45.59 N 3.973 -8.803 -43.737 1.00 45.59 C 4.043 -10.304 -44.043 1.00 45.59 C 4.516 -11.076 -43.221 1.00 45.59 O 3.613 -10.744 -45.231 1.00 40.40 N 3.770 -12.144 -45.661 1.00 40.40 C 5.170 -12.370 -46.250 1.00 40.40 C 5.792 -13.391 -45.959 1.00 40.40 O 2.617 -12.567 -46.599 1.00 40.40 C 1.284 -12.598 -45.810 1.00 40.40 C 2.880 -13.957 -47.212 1.00 40.40 C 0.036 -12.717 -46.696 1.00 40.40 C 5.725 -11.406 -46.997 1.00 33.97 N 7.103 -11.466 -47.513 1.00 33.97 C 8.139 -11.462 -46.391 1.00 33.97 C 9.156 -12.133 -46.542 1.00 33.97 O 7.369 -10.316 -48.497 1.00 33.97 C 6.742 -10.579 -49.875 1.00 33.97 C 6.859 -9.330 -50.752 1.00 33.97 C 6.324 -9.571 -52.106 1.00 33.97 N 6.461 -8.764 -53.141 1.00 33.97 C 7.088 -7.625 -53.043 1.00 33.97 N1+ 5.959 -9.088 -54.301 1.00 33.97 N 7.868 -10.805 -45.260 1.00 42.69 N 8.737 -10.878 -44.077 1.00 42.69 C 8.701 -12.246 -43.385 1.00 42.69 C 9.682 -12.627 -42.756 1.00 42.69 O 8.410 -9.760 -43.083 1.00 42.69 C 7.150 -9.970 -42.487 1.00 42.69 O 7.629 -13.032 -43.553 1.00 39.91 N 7.568 -14.407 -43.021 1.00 39.91 C 8.175 -15.459 -43.950 1.00 39.91 C 8.597 -16.504 -43.463 1.00 39.91 O 6.150 -14.826 -42.608 1.00 39.91 C 5.573 -13.914 -41.526 1.00 39.91 C 5.252 -14.869 -43.697 1.00 39.91 O 8.255 -15.211 -45.266 1.00 32.30 N 8.765 -16.208 -46.230 1.00 32.30 C 10.189 -15.963 -46.717 1.00 32.30 C 10.799 -16.892 -47.237 1.00 32.30 O 7.827 -16.402 -47.427 1.00 32.30 C 6.430 -16.844 -46.989 1.00 32.30 C 7.708 -15.218 -48.186 1.00 32.30 O 10.756 -14.770 -46.526 1.00 29.74 N 12.176 -14.526 -46.793 1.00 29.74 C 12.992 -14.629 -45.504 1.00 29.74 C 13.606 -13.678 -45.032 1.00 29.74 O 12.372 -13.230 -47.592 1.00 29.74 C 12.094 -13.409 -49.074 1.00 29.74 C 12.388 -12.405 -49.862 1.00 29.74 N 11.632 -14.429 -49.561 1.00 29.74 O 13.016 -15.835 -44.945 1.00 33.72 N 13.906 -16.227 -43.854 1.00 33.72 C 15.338 -16.467 -44.352 1.00 33.72 C 15.892 -17.517 -44.059 1.00 33.72 O 13.369 -17.485 -43.148 1.00 33.72 C 11.966 -17.444 -42.983 1.00 33.72 O 15.933 -15.565 -45.143 1.00 31.48 N 17.373 -15.609 -45.440 1.00 31.48 C 17.859 -14.354 -46.182 1.00 31.48 C 18.237 -14.457 -47.337 1.00 31.48 O 17.776 -16.889 -46.229 1.00 31.48 C 19.195 -17.326 -45.924 1.00 31.48 C 20.237 -17.056 -46.829 1.00 31.48 C 19.471 -17.998 -44.718 1.00 31.48 C 21.548 -17.473 -46.536 1.00 31.48 C 20.784 -18.409 -44.421 1.00 31.48 C 21.822 -18.150 -45.334 1.00 31.48 C 17.834 -13.167 -45.570 1.00 28.84 N 18.687 -12.046 -46.012 1.00 28.84 C 18.638 -10.886 -45.003 1.00 28.84 C 17.610 -10.242 -44.830 1.00 28.84 O 18.329 -11.566 -47.444 1.00 28.84 C 19.425 -11.954 -48.466 1.00 28.84 C 18.943 -11.971 -49.927 1.00 28.84 C 19.509 -12.760 -50.722 1.00 28.84 O 18.062 -11.149 -50.268 1.00 28.84 O1- 19.769 -10.640 -44.334 1.00 29.02 N 20.118 -9.354 -43.721 1.00 29.02 C 19.207 -8.848 -42.603 1.00 29.02 C 18.397 -7.950 -42.816 1.00 29.02 O 19.420 -9.340 -41.381 1.00 33.62 N 19.013 -8.624 -40.174 1.00 33.62 C 19.742 -7.267 -40.182 1.00 33.62 C 20.954 -7.202 -39.979 1.00 33.62 O 19.356 -9.488 -38.941 1.00 33.62 C 18.299 -9.537 -37.854 1.00 33.62 C 18.346 -8.624 -36.791 1.00 33.62 C 17.314 -10.545 -37.861 1.00 33.62 C 17.465 -8.743 -35.701 1.00 33.62 C 16.405 -10.652 -36.788 1.00 33.62 C 16.493 -9.763 -35.695 1.00 33.62 C 15.643 -9.892 -34.644 1.00 33.62 O 19.035 -6.181 -40.497 1.00 40.39 N 19.509 -4.840 -40.170 1.00 40.39 C 19.412 -4.706 -38.642 1.00 40.39 C 18.423 -4.193 -38.125 1.00 40.39 O 18.701 -3.770 -40.939 1.00 40.39 C 19.229 -3.461 -42.332 1.00 40.39 C 18.384 -2.976 -43.211 1.00 40.39 N 20.397 -3.593 -42.653 1.00 40.39 O 20.423 -5.227 -37.942 1.00 44.62 N 20.689 -5.062 -36.507 1.00 44.62 C 21.046 -3.595 -36.204 1.00 44.62 C 22.163 -3.267 -35.807 1.00 44.62 O 21.832 -6.012 -36.062 1.00 44.62 C 21.382 -7.381 -35.560 1.00 44.62 C 20.363 -7.429 -34.837 1.00 44.62 O 22.082 -8.369 -35.878 1.00 44.62 O1- 20.111 -2.670 -36.423 1.00 45.51 N 20.174 -1.399 -35.713 1.00 45.51 C 19.622 -1.668 -34.308 1.00 45.51 C 18.458 -2.068 -34.200 1.00 45.51 O 19.424 -0.296 -36.472 1.00 45.51 C 20.199 0.201 -37.708 1.00 45.51 C 19.291 1.095 -38.553 1.00 45.51 C 21.446 1.016 -37.344 1.00 45.51 C 20.432 -1.510 -33.243 1.00 53.21 N 19.956 -1.671 -31.878 1.00 53.21 C 18.728 -0.785 -31.670 1.00 53.21 C 18.726 0.376 -32.073 1.00 53.21 O 21.118 -1.257 -30.965 1.00 53.21 C 22.349 -1.402 -31.854 1.00 53.21 C 21.819 -1.075 -33.244 1.00 53.21 C 17.674 -1.336 -31.071 1.00 66.99 N 16.499 -0.558 -30.688 1.00 66.99 C 16.938 0.533 -29.700 1.00 66.99 C 17.220 0.229 -28.545 1.00 66.99 O 15.462 -1.519 -30.080 1.00 66.99 C 14.170 -0.820 -29.643 1.00 66.99 C 12.922 -1.934 -28.927 1.00 66.99 S 13.715 -2.340 -27.343 1.00 66.99 C 17.023 1.785 -30.150 1.00 77.48 N 17.339 2.922 -29.280 1.00 77.48 C 16.111 3.332 -28.460 1.00 77.48 C 14.988 3.423 -28.969 1.00 77.48 O 17.889 4.120 -30.073 1.00 77.48 C 19.316 3.878 -30.594 1.00 77.48 C 19.950 5.108 -31.272 1.00 77.48 C 21.112 4.977 -31.723 1.00 77.48 O 19.295 6.174 -31.338 1.00 77.48 O1- 16.323 3.589 -27.169 1.00 85.24 N 15.285 4.104 -26.282 1.00 85.24 C 15.117 5.620 -26.465 1.00 85.24 C 16.111 6.325 -26.632 1.00 85.24 O 15.614 3.757 -24.822 1.00 85.24 C 15.617 2.252 -24.513 1.00 85.24 C 15.979 2.035 -23.043 1.00 85.24 C 14.255 1.610 -24.776 1.00 85.24 C 13.893 6.170 -26.357 1.00 86.66 N 13.685 7.618 -26.405 1.00 86.66 C 14.475 8.362 -25.314 1.00 86.66 C 14.544 7.889 -24.177 1.00 86.66 O 12.175 7.814 -26.226 1.00 86.66 C 11.574 6.487 -26.688 1.00 86.66 C 12.624 5.465 -26.268 1.00 86.66 C 14.971 9.567 -25.614 1.00 83.26 N 15.797 10.383 -24.700 1.00 83.26 C 15.168 10.670 -23.318 1.00 83.26 C 15.881 10.790 -22.329 1.00 83.26 O 16.181 11.694 -25.406 1.00 83.26 C 15.008 12.575 -25.755 1.00 83.26 C 14.524 13.624 -25.021 1.00 83.26 C 14.236 12.477 -26.890 1.00 83.26 N 13.299 13.437 -26.831 1.00 83.26 C 13.416 14.156 -25.701 1.00 83.26 N 13.834 10.729 -23.212 1.00 88.37 N 13.114 10.960 -21.946 1.00 88.37 C 12.692 9.662 -21.231 1.00 88.37 C 11.705 9.646 -20.489 1.00 88.37 O 11.927 11.911 -22.187 1.00 88.37 C 12.354 13.324 -22.523 1.00 88.37 C 11.533 14.056 -23.235 1.00 88.37 N 13.403 13.806 -22.144 1.00 88.37 O 13.376 8.548 -21.493 1.00 93.11 N 13.140 7.295 -20.767 1.00 93.11 C 13.577 7.439 -19.312 1.00 93.11 C 14.607 8.030 -19.015 1.00 93.11 O 13.816 6.106 -21.458 1.00 93.11 C 13.510 4.784 -20.754 1.00 93.11 C 13.289 5.991 -22.760 1.00 93.11 O 12.773 6.916 -18.391 1.00 93.33 N 12.995 7.007 -16.945 1.00 93.33 C 12.812 5.649 -16.279 1.00 93.33 C 11.979 4.836 -16.707 1.00 93.33 O 12.061 8.040 -16.287 1.00 93.33 C 12.307 9.460 -16.796 1.00 93.33 C 10.704 7.738 -16.548 1.00 93.33 O 13.572 5.419 -15.205 1.00 95.41 N 13.410 4.264 -14.323 1.00 95.41 C 12.533 4.688 -13.143 1.00 95.41 C 12.875 5.561 -12.355 1.00 95.41 O 14.774 3.716 -13.849 1.00 95.41 C 15.681 3.338 -15.045 1.00 95.41 C 14.554 2.493 -12.930 1.00 95.41 C 17.086 2.909 -14.604 1.00 95.41 C 11.387 4.039 -12.974 1.00 95.93 N 10.574 4.175 -11.762 1.00 95.93 C 10.891 3.022 -10.818 1.00 95.93 C 10.432 1.904 -11.036 1.00 95.93 O 9.082 4.220 -12.102 1.00 95.93 C 8.224 4.489 -10.864 1.00 95.93 C 8.825 5.270 -13.003 1.00 95.93 O 11.663 3.273 -9.759 1.00 97.19 N 11.919 2.281 -8.710 1.00 97.19 C 10.783 2.232 -7.680 1.00 97.19 C 10.371 3.261 -7.132 1.00 97.19 O 13.271 2.556 -8.046 1.00 97.19 C 13.606 1.635 -6.885 1.00 97.19 C 13.787 2.161 -5.591 1.00 97.19 C 13.750 0.251 -7.101 1.00 97.19 C 14.133 1.314 -4.521 1.00 97.19 C 14.055 -0.605 -6.026 1.00 97.19 C 14.259 -0.074 -4.738 1.00 97.19 C 14.556 -0.898 -3.699 1.00 97.19 O 10.314 1.020 -7.376 1.00 97.35 N 9.322 0.745 -6.340 1.00 97.35 C 10.035 0.114 -5.137 1.00 97.35 C 10.313 -1.089 -5.173 1.00 97.35 O 8.221 -0.174 -6.894 1.00 97.35 C 7.592 0.296 -8.188 1.00 97.35 C 6.751 1.421 -8.200 1.00 97.35 C 7.850 -0.389 -9.388 1.00 97.35 C 6.175 1.869 -9.401 1.00 97.35 C 7.271 0.051 -10.587 1.00 97.35 C 6.440 1.184 -10.599 1.00 97.35 C 10.339 0.879 -4.066 1.00 97.13 N 11.070 0.357 -2.922 1.00 97.13 C 10.406 -0.891 -2.349 1.00 97.13 C 9.181 -0.948 -2.197 1.00 97.13 O 11.151 1.495 -1.899 1.00 97.13 C 11.034 2.743 -2.769 1.00 97.13 C 10.055 2.284 -3.844 1.00 97.13 C 11.232 -1.890 -2.049 1.00 96.77 N 10.803 -3.091 -1.332 1.00 96.77 C 11.663 -3.323 -0.096 1.00 96.77 C 11.777 -2.410 0.723 1.00 96.77 O 10.632 -4.321 -2.227 1.00 96.77 C 9.609 -4.149 -3.334 1.00 96.77 C 11.825 -4.645 -2.850 1.00 96.77 O 12.247 -4.509 0.049 1.00 97.73 N 13.005 -4.915 1.218 1.00 97.73 C 14.050 -5.979 0.876 1.00 97.73 C 13.938 -6.724 -0.099 1.00 97.73 O 12.055 -5.425 2.315 1.00 97.73 C 11.012 -6.429 1.851 1.00 97.73 C 9.709 -5.980 1.578 1.00 97.73 C 11.331 -7.792 1.690 1.00 97.73 C 8.721 -6.889 1.154 1.00 97.73 C 10.348 -8.702 1.246 1.00 97.73 C 9.038 -8.252 0.975 1.00 97.73 C 8.065 -9.100 0.550 1.00 97.73 O 15.039 -6.050 1.755 1.00 97.42 N 15.953 -7.165 1.944 1.00 97.42 C 15.599 -7.845 3.255 1.00 97.42 C 15.450 -7.166 4.272 1.00 97.42 O 17.407 -6.685 2.006 1.00 97.42 C 18.374 -7.857 2.158 1.00 97.42 C 17.762 -5.989 0.832 1.00 97.42 O 15.515 -9.169 3.265 1.00 96.17 N 15.386 -9.946 4.501 1.00 96.17 C 16.403 -11.081 4.544 1.00 96.17 C 17.124 -11.323 3.578 1.00 96.17 O 13.942 -10.414 4.715 1.00 96.17 C 13.532 -11.598 3.838 1.00 96.17 C 13.800 -10.732 6.084 1.00 96.17 O 16.518 -11.737 5.694 1.00 93.60 N 17.432 -12.864 5.887 1.00 93.60 C 16.747 -14.168 5.500 1.00 93.60 C 15.646 -14.455 5.970 1.00 93.60 O 17.931 -12.923 7.334 1.00 93.60 C 18.902 -14.061 7.640 1.00 93.60 C 18.625 -11.737 7.635 1.00 93.60 O 17.430 -14.991 4.708 1.00 85.42 N 16.972 -16.333 4.377 1.00 85.42 C 16.990 -17.219 5.628 1.00 85.42 C 18.034 -17.441 6.239 1.00 85.42 O 17.843 -16.904 3.247 1.00 85.42 C 17.476 -16.325 1.895 1.00 85.42 C 18.411 -16.248 0.982 1.00 85.42 N 16.339 -15.967 1.653 1.00 85.42 O 15.821 -17.739 6.004 1.00 80.44 N 15.650 -18.617 7.168 1.00 80.44 C 15.635 -20.113 6.812 1.00 80.44 C 15.203 -20.926 7.628 1.00 80.44 O 14.387 -18.214 7.947 1.00 80.44 C 14.383 -16.810 8.577 1.00 80.44 C 13.113 -16.714 9.425 1.00 80.44 C 15.583 -16.559 9.494 1.00 80.44 C 16.046 -20.484 5.598 1.00 69.29 N 16.119 -21.891 5.186 1.00 69.29 C 17.253 -22.570 5.957 1.00 69.29 C 18.391 -22.096 5.942 1.00 69.29 O 16.287 -22.027 3.659 1.00 69.29 C 16.284 -23.493 3.213 1.00 69.29 C 15.137 -21.328 2.915 1.00 69.29 C 16.934 -23.666 6.649 1.00 59.03 N 17.937 -24.498 7.310 1.00 59.03 C 18.896 -25.082 6.254 1.00 59.03 C 18.458 -25.436 5.159 1.00 59.03 O 17.273 -25.614 8.137 1.00 59.03 C 16.585 -25.100 9.409 1.00 59.03 C 17.207 -24.278 10.120 1.00 59.03 O 15.456 -25.563 9.697 1.00 59.03 O1- 20.207 -25.172 6.533 1.00 53.27 N 21.183 -25.622 5.552 1.00 53.27 C 20.929 -27.079 5.146 1.00 53.27 C 21.345 -28.010 5.839 1.00 53.27 O 22.550 -25.410 6.219 1.00 53.27 C 22.237 -25.452 7.715 1.00 53.27 C 20.841 -24.844 7.794 1.00 53.27 C 20.323 -27.284 3.979 1.00 54.14 N 20.369 -28.563 3.279 1.00 54.14 C 21.817 -28.803 2.811 1.00 54.14 C 22.244 -28.352 1.754 1.00 54.14 O 19.355 -28.602 2.116 1.00 54.14 C 17.913 -28.945 2.526 1.00 54.14 C 17.718 -29.479 3.641 1.00 54.14 O 17.020 -28.755 1.669 1.00 54.14 O1- 22.611 -29.478 3.645 1.00 54.91 N 23.832 -30.191 3.252 1.00 54.91 C 24.922 -29.402 2.501 1.00 54.91 C 25.013 -29.454 1.282 1.00 54.91 O 25.846 -28.797 3.254 1.00 56.36 N 27.287 -28.559 2.989 1.00 56.36 C 27.851 -28.112 1.610 1.00 56.36 C 29.070 -27.979 1.532 1.00 56.36 O 28.109 -29.758 3.540 1.00 56.36 C 28.943 -29.384 4.781 1.00 56.36 C 28.086 -29.482 6.045 1.00 56.36 C 30.149 -30.308 4.948 1.00 56.36 C 27.084 -27.863 0.544 1.00 53.32 N 27.683 -27.758 -0.810 1.00 53.32 C 27.481 -26.436 -1.562 1.00 53.32 C 28.129 -26.242 -2.587 1.00 53.32 O 27.255 -28.946 -1.674 1.00 53.32 C 27.535 -30.167 -1.009 1.00 53.32 O 26.652 -25.505 -1.080 1.00 55.32 N 26.511 -24.171 -1.678 1.00 55.32 C 26.998 -23.076 -0.708 1.00 55.32 C 26.758 -23.199 0.497 1.00 55.32 O 25.057 -23.956 -2.117 1.00 55.32 C 27.667 -22.006 -1.190 1.00 58.86 N 27.963 -20.850 -0.352 1.00 58.86 C 26.658 -20.267 0.203 1.00 58.86 C 25.650 -20.167 -0.500 1.00 58.86 O 28.736 -19.863 -1.230 1.00 58.86 C 28.302 -20.232 -2.648 1.00 58.86 C 28.040 -21.736 -2.571 1.00 58.86 C 26.680 -19.931 1.494 1.00 67.32 N 25.516 -19.493 2.264 1.00 67.32 C 25.017 -18.149 1.727 1.00 67.32 C 25.693 -17.138 1.883 1.00 67.32 O 25.942 -19.410 3.741 1.00 67.32 C 24.761 -19.403 4.715 1.00 67.32 C 25.294 -19.076 6.118 1.00 67.32 C 24.228 -19.072 7.141 1.00 67.32 N 24.109 -18.186 8.116 1.00 67.32 C 24.954 -17.207 8.275 1.00 67.32 N1+ 23.109 -18.264 8.950 1.00 67.32 N 23.843 -18.130 1.096 1.00 77.11 N 23.185 -16.882 0.696 1.00 77.11 C 22.265 -16.413 1.811 1.00 77.11 C 21.119 -16.849 1.920 1.00 77.11 O 22.446 -17.043 -0.622 1.00 77.11 C 23.360 -17.458 -1.787 1.00 77.11 C 22.533 -17.226 -3.041 1.00 77.11 C 22.994 -17.882 -4.330 1.00 77.11 C 21.906 -17.704 -5.321 1.00 77.11 N1+ 22.816 -15.564 2.665 1.00 87.42 N 22.183 -15.116 3.902 1.00 87.42 C 21.029 -14.137 3.683 1.00 87.42 C 20.145 -14.046 4.535 1.00 87.42 O 23.269 -14.506 4.814 1.00 87.42 C 24.098 -15.574 5.532 1.00 87.42 C 23.592 -16.701 5.674 1.00 87.42 O 25.183 -15.293 6.090 1.00 87.42 O1- 21.002 -13.423 2.558 1.00 93.60 N 20.045 -12.350 2.314 1.00 93.60 C 19.306 -12.544 0.993 1.00 93.60 C 19.912 -12.884 -0.020 1.00 93.60 O 20.774 -11.000 2.378 1.00 93.60 C 21.478 -10.753 3.700 1.00 93.60 C 20.762 -10.250 4.803 1.00 93.60 C 22.837 -11.087 3.846 1.00 93.60 C 21.406 -10.071 6.041 1.00 93.60 C 23.482 -10.915 5.082 1.00 93.60 C 22.766 -10.405 6.181 1.00 93.60 C 18.002 -12.278 1.001 1.00 95.05 N 17.173 -12.146 -0.196 1.00 95.05 C 16.698 -10.693 -0.305 1.00 95.05 C 16.046 -10.158 0.594 1.00 95.05 O 16.000 -13.146 -0.179 1.00 95.05 C 15.180 -13.081 -1.479 1.00 95.05 C 13.919 -13.966 -1.483 1.00 95.05 C 13.836 -14.901 -2.306 1.00 95.05 O 12.911 -13.592 -0.838 1.00 95.05 O1- 17.025 -10.047 -1.420 1.00 97.03 N 16.589 -8.702 -1.786 1.00 97.03 C 15.575 -8.792 -2.910 1.00 97.03 C 15.876 -9.259 -4.009 1.00 97.03 O 17.778 -7.828 -2.205 1.00 97.03 C 17.362 -6.400 -2.561 1.00 97.03 C 18.677 -7.699 -1.135 1.00 97.03 O 14.369 -8.290 -2.663 1.00 97.76 N 13.409 -8.066 -3.743 1.00 97.76 C 13.739 -6.736 -4.424 1.00 97.76 C 14.063 -5.748 -3.771 1.00 97.76 O 11.972 -8.152 -3.219 1.00 97.76 C 10.933 -7.939 -4.319 1.00 97.76 C 11.733 -9.452 -2.730 1.00 97.76 O 13.682 -6.687 -5.752 1.00 98.11 N 13.877 -5.466 -6.542 1.00 98.11 C 12.720 -5.336 -7.516 1.00 98.11 C 12.404 -6.271 -8.251 1.00 98.11 O 15.240 -5.442 -7.264 1.00 98.11 C 15.431 -4.124 -8.031 1.00 98.11 C 16.382 -5.580 -6.249 1.00 98.11 C 12.072 -4.168 -7.509 1.00 97.33 N 10.974 -3.837 -8.419 1.00 97.33 C 11.202 -2.483 -9.062 1.00 97.33 C 11.390 -1.488 -8.364 1.00 97.33 O 9.626 -3.858 -7.690 1.00 97.33 C 9.212 -5.272 -7.272 1.00 97.33 C 7.764 -5.311 -6.765 1.00 97.33 C 7.560 -4.395 -5.628 1.00 97.33 N 6.458 -3.760 -5.285 1.00 97.33 C 5.333 -3.935 -5.917 1.00 97.33 N1+ 6.476 -2.904 -4.305 1.00 97.33 N 11.108 -2.425 -10.380 1.00 97.02 N 11.120 -1.166 -11.114 1.00 97.02 C 10.234 -1.241 -12.359 1.00 97.02 C 9.736 -2.305 -12.722 1.00 97.02 O 12.571 -0.750 -11.425 1.00 97.02 C 13.364 -1.913 -12.567 1.00 97.02 S 10.011 -0.096 -12.993 1.00 95.91 N 9.412 -0.005 -14.312 1.00 95.91 C 10.194 0.964 -15.192 1.00 95.91 C 10.697 1.975 -14.707 1.00 95.91 O 7.940 0.404 -14.201 1.00 95.91 C 10.240 0.676 -16.487 1.00 95.76 N 10.855 1.525 -17.505 1.00 95.76 C 9.748 2.156 -18.339 1.00 95.76 C 8.860 1.479 -18.872 1.00 95.76 O 11.865 0.742 -18.360 1.00 95.76 C 12.609 1.686 -19.310 1.00 95.76 C 12.913 0.056 -17.472 1.00 95.76 C 9.753 3.483 -18.410 1.00 94.35 N 8.730 4.237 -19.134 1.00 94.35 C 9.239 5.589 -19.603 1.00 94.35 C 10.161 6.143 -19.015 1.00 94.35 O 7.475 4.403 -18.272 1.00 94.35 C 7.695 5.107 -17.068 1.00 94.35 O 8.594 6.154 -20.616 1.00 93.46 N 8.828 7.529 -21.053 1.00 93.46 C 7.503 8.309 -21.104 1.00 93.46 C 6.432 7.705 -21.268 1.00 93.46 O 9.588 7.545 -22.386 1.00 93.46 C 8.895 6.844 -23.532 1.00 93.46 C 9.097 5.466 -23.732 1.00 93.46 C 8.098 7.576 -24.428 1.00 93.46 C 8.487 4.809 -24.816 1.00 93.46 C 7.507 6.930 -25.527 1.00 93.46 C 7.691 5.544 -25.718 1.00 93.46 C 7.111 4.917 -26.776 1.00 93.46 O 7.525 9.645 -20.944 1.00 90.92 N 6.331 10.474 -21.079 1.00 90.92 C 5.648 10.253 -22.435 1.00 90.92 C 6.284 10.319 -23.487 1.00 90.92 O 6.810 11.920 -20.904 1.00 90.92 C 8.081 11.778 -20.069 1.00 90.92 C 8.669 10.461 -20.563 1.00 90.92 C 4.344 9.969 -22.437 1.00 87.77 N 3.607 9.781 -23.685 1.00 87.77 C 3.258 11.112 -24.345 1.00 87.77 C 2.974 12.097 -23.669 1.00 87.77 O 3.206 11.131 -25.679 1.00 86.71 N 2.837 12.334 -26.423 1.00 86.71 C 1.413 12.808 -26.034 1.00 86.71 C 0.454 12.056 -26.252 1.00 86.71 O 2.978 12.059 -27.934 1.00 86.71 C 2.624 13.266 -28.788 1.00 86.71 C 2.752 13.170 -30.085 1.00 86.71 N 2.184 14.293 -28.302 1.00 86.71 O 1.231 14.035 -25.506 1.00 81.78 N -0.087 14.558 -25.145 1.00 81.78 C -1.035 14.703 -26.349 1.00 81.78 C -2.251 14.622 -26.176 1.00 81.78 O 0.189 15.906 -24.469 1.00 81.78 C 1.528 16.348 -25.056 1.00 81.78 C 2.266 15.026 -25.226 1.00 81.78 C -0.512 14.854 -27.573 1.00 84.56 N -1.314 14.949 -28.807 1.00 84.56 C -1.707 13.589 -29.385 1.00 84.56 C -2.545 13.525 -30.289 1.00 84.56 O -0.639 15.793 -29.900 1.00 84.56 C -0.136 17.139 -29.383 1.00 84.56 C 0.447 15.119 -30.482 1.00 84.56 O -1.191 12.481 -28.841 1.00 89.97 N -1.634 11.140 -29.231 1.00 89.97 C -3.146 11.006 -29.059 1.00 89.97 C -3.710 11.473 -28.070 1.00 89.97 O -0.923 10.066 -28.407 1.00 89.97 C -1.489 8.794 -28.683 1.00 89.97 O -3.824 10.329 -29.996 1.00 88.20 N -5.279 10.101 -29.942 1.00 88.20 C -5.721 9.514 -28.597 1.00 88.20 C -6.733 9.951 -28.053 1.00 88.20 O -5.679 9.189 -31.112 1.00 88.20 C -7.197 8.973 -31.204 1.00 88.20 C -7.524 8.064 -32.393 1.00 88.20 C -8.970 7.793 -32.487 1.00 88.20 N -9.532 6.844 -33.218 1.00 88.20 C -8.831 6.031 -33.958 1.00 88.20 N1+ -10.827 6.692 -33.216 1.00 88.20 N -4.946 8.570 -28.047 1.00 88.63 N -5.191 7.964 -26.729 1.00 88.63 C -5.119 9.007 -25.613 1.00 88.63 C -6.042 9.090 -24.809 1.00 88.63 O -4.180 6.826 -26.496 1.00 88.63 C -4.329 6.185 -25.104 1.00 88.63 C -3.193 5.199 -24.817 1.00 88.63 C -3.119 4.905 -23.374 1.00 88.63 N -3.492 3.801 -22.751 1.00 88.63 C -3.995 2.772 -23.378 1.00 88.63 N1+ -3.348 3.714 -21.459 1.00 88.63 N -4.051 9.802 -25.579 1.00 90.33 N -3.819 10.779 -24.516 1.00 90.33 C -4.783 11.963 -24.621 1.00 90.33 C -5.347 12.361 -23.610 1.00 90.33 O -2.337 11.198 -24.508 1.00 90.33 C -1.429 10.114 -23.938 1.00 90.33 C -0.153 10.377 -23.795 1.00 90.33 N -1.859 9.018 -23.612 1.00 90.33 O -5.093 12.444 -25.832 1.00 90.50 N -6.161 13.431 -26.066 1.00 90.50 C -7.511 12.941 -25.564 1.00 90.50 C -8.230 13.695 -24.913 1.00 90.50 O -6.277 13.761 -27.560 1.00 90.50 C -5.154 14.684 -28.042 1.00 90.50 C -5.441 15.195 -29.460 1.00 90.50 C -5.225 14.156 -30.484 1.00 90.50 N -5.924 13.922 -31.578 1.00 90.50 C -7.101 14.444 -31.788 1.00 90.50 N1+ -5.419 13.163 -32.508 1.00 90.50 N -7.858 11.688 -25.859 1.00 88.77 N -9.099 11.090 -25.377 1.00 88.77 C -9.113 10.974 -23.849 1.00 88.77 C -10.075 11.414 -23.226 1.00 88.77 O -9.318 9.734 -26.050 1.00 88.77 C -10.501 8.987 -25.523 1.00 88.77 C -11.789 9.196 -25.875 1.00 88.77 C -10.528 7.963 -24.481 1.00 88.77 C -11.885 7.581 -24.265 1.00 88.77 C -9.546 7.333 -23.685 1.00 88.77 C -12.609 8.359 -25.142 1.00 88.77 N -12.253 6.615 -23.319 1.00 88.77 C -9.904 6.366 -22.726 1.00 88.77 C -11.252 6.004 -22.545 1.00 88.77 C -8.039 10.461 -23.243 1.00 87.86 N -7.925 10.326 -21.791 1.00 87.86 C -7.982 11.688 -21.084 1.00 87.86 C -8.723 11.848 -20.123 1.00 87.86 O -6.629 9.563 -21.463 1.00 87.86 C -6.390 9.351 -19.956 1.00 87.86 C -7.530 8.580 -19.291 1.00 87.86 C -5.106 8.552 -19.742 1.00 87.86 C -7.267 12.692 -21.593 1.00 89.74 N -7.312 14.062 -21.080 1.00 89.74 C -8.712 14.663 -21.211 1.00 89.74 C -9.219 15.254 -20.261 1.00 89.74 O -6.292 14.928 -21.845 1.00 89.74 C -4.827 14.672 -21.451 1.00 89.74 C -3.887 15.336 -22.457 1.00 89.74 C -4.534 15.257 -20.075 1.00 89.74 C -9.362 14.492 -22.365 1.00 87.92 N -10.738 14.954 -22.580 1.00 87.92 C -11.698 14.329 -21.569 1.00 87.92 C -12.511 15.033 -20.972 1.00 87.92 O -11.186 14.613 -24.004 1.00 87.92 C -12.491 15.105 -24.245 1.00 87.92 O -11.556 13.027 -21.336 1.00 86.88 N -12.329 12.257 -20.376 1.00 86.88 C -12.086 12.744 -18.936 1.00 86.88 C -13.044 13.078 -18.248 1.00 86.88 O -11.922 10.798 -20.596 1.00 86.88 C -12.725 9.777 -19.801 1.00 86.88 C -14.060 9.441 -20.465 1.00 86.88 C -11.870 8.508 -19.732 1.00 86.88 C -10.832 12.886 -18.496 1.00 89.69 N -10.493 13.431 -17.176 1.00 89.69 C -11.046 14.853 -16.981 1.00 89.69 C -11.608 15.169 -15.935 1.00 89.69 O -8.968 13.414 -17.007 1.00 89.69 C -8.368 11.707 -16.850 1.00 89.69 S -10.996 15.703 -18.012 1.00 88.47 N -11.578 17.054 -17.968 1.00 88.47 C -13.105 17.052 -17.830 1.00 88.47 C -13.666 18.009 -17.296 1.00 88.47 O -11.132 17.852 -19.201 1.00 88.47 C -9.658 18.269 -19.099 1.00 88.47 C -9.208 19.034 -20.350 1.00 88.47 C -7.750 19.457 -20.152 1.00 88.47 C -7.326 20.538 -21.069 1.00 88.47 N1+ -13.812 15.995 -18.243 1.00 87.36 N -15.254 15.875 -17.967 1.00 87.36 C -15.532 15.771 -16.460 1.00 87.36 C -16.526 16.322 -15.981 1.00 87.36 O -15.878 14.683 -18.710 1.00 87.36 C -15.880 14.872 -20.233 1.00 87.36 C -16.344 13.636 -20.998 1.00 87.36 C -16.358 13.686 -22.312 1.00 87.36 N -16.712 12.610 -20.458 1.00 87.36 O -14.616 15.175 -15.695 1.00 84.07 N -14.693 15.095 -14.234 1.00 84.07 C -14.396 16.427 -13.523 1.00 84.07 C -14.670 16.553 -12.331 1.00 84.07 O -13.794 13.970 -13.724 1.00 84.07 C -14.360 12.589 -13.968 1.00 84.07 C -14.961 11.909 -12.902 1.00 84.07 C -14.312 11.993 -15.239 1.00 84.07 C -15.511 10.628 -13.087 1.00 84.07 C -14.900 10.732 -15.446 1.00 84.07 C -15.480 10.036 -14.365 1.00 84.07 C -16.002 8.797 -14.548 1.00 84.07 O -13.930 17.454 -14.244 1.00 83.58 N -13.823 18.827 -13.731 1.00 83.58 C -15.142 19.599 -13.860 1.00 83.58 C -15.491 20.394 -12.996 1.00 83.58 O -12.700 19.582 -14.459 1.00 83.58 C -11.301 18.962 -14.325 1.00 83.58 C -10.290 19.828 -15.073 1.00 83.58 C -10.875 18.866 -12.870 1.00 83.58 C -15.949 19.318 -14.891 1.00 80.51 N -17.196 20.060 -15.166 1.00 80.51 C -18.259 19.812 -14.105 1.00 80.51 C -18.776 18.706 -14.076 1.00 80.51 O -17.786 19.632 -16.515 1.00 80.51 C -16.884 19.961 -17.697 1.00 80.51 C -17.609 19.530 -18.970 1.00 80.51 C -16.820 19.882 -20.159 1.00 80.51 N -17.292 20.088 -21.373 1.00 80.51 C -18.556 19.937 -21.662 1.00 80.51 N1+ -16.489 20.457 -22.329 1.00 80.51 N -18.619 20.803 -13.294 1.00 59.50 N -19.692 20.728 -12.282 1.00 59.50 C -21.060 20.402 -12.912 1.00 59.50 C -21.884 21.282 -13.142 1.00 59.50 O -19.768 22.049 -11.490 1.00 59.50 C -18.474 22.369 -10.740 1.00 59.50 C -20.009 23.115 -12.376 1.00 59.50 O -21.294 19.143 -13.270 1.00 50.77 N -22.602 18.610 -13.629 1.00 50.77 C -23.270 18.058 -12.379 1.00 50.77 C -22.588 17.513 -11.511 1.00 50.77 O -24.586 18.226 -12.280 1.00 41.47 N -25.422 17.631 -11.233 1.00 41.47 C -25.098 16.143 -11.087 1.00 41.47 C -25.024 15.429 -12.087 1.00 41.47 O -26.909 17.831 -11.583 1.00 41.47 C -27.333 19.284 -11.368 1.00 41.47 C -27.148 17.556 -12.949 1.00 41.47 O -24.894 15.689 -9.848 1.00 46.27 N -24.416 14.348 -9.491 1.00 46.27 C -25.263 13.172 -10.039 1.00 46.27 C -24.853 12.026 -9.930 1.00 46.27 O -24.318 14.304 -7.958 1.00 46.27 C -26.415 13.438 -10.660 1.00 38.42 N -27.340 12.427 -11.189 1.00 38.42 C -27.059 11.982 -12.633 1.00 38.42 C -27.643 11.006 -13.100 1.00 38.42 O -28.768 12.971 -11.086 1.00 38.42 C -29.230 13.084 -9.628 1.00 38.42 C -30.674 13.590 -9.514 1.00 38.42 C -31.275 13.371 -8.441 1.00 38.42 O -31.154 14.230 -10.480 1.00 38.42 O1- -26.170 12.655 -13.367 1.00 42.74 N -25.749 12.168 -14.677 1.00 42.74 C -24.577 11.196 -14.508 1.00 42.74 C -23.421 11.562 -14.730 1.00 42.74 O -25.467 13.349 -15.612 1.00 42.74 C -24.886 9.957 -14.121 1.00 42.51 N -23.976 8.828 -14.295 1.00 42.51 C -23.439 8.886 -15.730 1.00 42.51 C -24.182 8.735 -16.707 1.00 42.51 O -24.713 7.494 -14.030 1.00 42.51 C -24.240 6.738 -12.784 1.00 42.51 C -23.096 6.986 -12.337 1.00 42.51 O -24.985 5.823 -12.373 1.00 42.51 O1- -22.150 9.204 -15.872 1.00 42.31 N -21.482 9.264 -17.170 1.00 42.31 C -21.548 7.853 -17.737 1.00 42.31 C -20.802 6.966 -17.318 1.00 42.31 O -20.035 9.789 -17.054 1.00 42.31 C -19.319 9.794 -18.412 1.00 42.31 C -20.014 11.228 -16.517 1.00 42.31 C -22.493 7.631 -18.653 1.00 33.57 N -22.632 6.365 -19.346 1.00 33.57 C -21.260 5.994 -19.933 1.00 33.57 C -20.628 6.853 -20.560 1.00 33.57 O -23.707 6.486 -20.433 1.00 33.57 C -20.770 4.757 -19.735 1.00 34.68 N -19.501 4.343 -20.304 1.00 34.68 C -19.617 4.442 -21.824 1.00 34.68 C -20.284 3.634 -22.471 1.00 34.68 O -19.252 2.921 -19.785 1.00 34.68 C -20.648 2.402 -19.440 1.00 34.68 C -21.412 3.660 -19.033 1.00 34.68 C -18.998 5.470 -22.404 1.00 33.59 N -18.799 5.557 -23.847 1.00 33.59 C -17.881 4.393 -24.198 1.00 33.59 C -16.682 4.447 -23.936 1.00 33.59 O -18.211 6.921 -24.262 1.00 33.59 C -17.971 6.985 -25.777 1.00 33.59 C -19.159 8.071 -23.892 1.00 33.59 C -18.466 3.308 -24.708 1.00 29.06 N -17.749 2.106 -25.148 1.00 29.06 C -16.708 2.528 -26.193 1.00 29.06 C -17.101 3.037 -27.248 1.00 29.06 O -18.731 1.071 -25.736 1.00 29.06 C -18.003 -0.187 -26.225 1.00 29.06 C -19.769 0.634 -24.691 1.00 29.06 C -15.396 2.373 -25.939 1.00 35.86 N -14.386 2.716 -26.930 1.00 35.86 C -14.333 1.638 -28.022 1.00 35.86 C -14.485 0.455 -27.708 1.00 35.86 O -13.052 2.826 -26.178 1.00 35.86 C -13.446 2.801 -24.701 1.00 35.86 C -14.745 2.003 -24.694 1.00 35.86 C -14.073 1.997 -29.292 1.00 33.73 N -13.722 1.010 -30.305 1.00 33.73 C -12.386 0.355 -29.928 1.00 33.73 C -11.481 1.044 -29.458 1.00 33.73 O -13.669 1.779 -31.627 1.00 33.73 C -13.318 3.206 -31.201 1.00 33.73 C -13.924 3.348 -29.805 1.00 33.73 C -12.306 -0.965 -30.112 1.00 29.71 N -11.159 -1.829 -29.820 1.00 29.71 C -9.815 -1.136 -30.113 1.00 29.71 C -9.495 -0.845 -31.264 1.00 29.71 O -11.321 -3.120 -30.645 1.00 29.71 C -12.559 -3.911 -30.283 1.00 29.71 C -13.776 -3.886 -30.913 1.00 29.71 C -12.668 -4.795 -29.236 1.00 29.71 N -13.921 -5.281 -29.228 1.00 29.71 C -14.641 -4.743 -30.225 1.00 29.71 N -9.065 -0.823 -29.052 1.00 31.88 N -7.706 -0.292 -29.122 1.00 31.88 C -6.752 -1.477 -28.983 1.00 31.88 C -6.335 -1.795 -27.873 1.00 31.88 O -7.477 0.759 -28.010 1.00 31.88 C -8.209 2.099 -28.185 1.00 31.88 C -8.047 2.945 -26.917 1.00 31.88 C -7.662 2.913 -29.361 1.00 31.88 C -6.458 -2.148 -30.093 1.00 29.68 N -5.240 -2.951 -30.163 1.00 29.68 C -4.056 -2.009 -30.394 1.00 29.68 C -4.140 -1.046 -31.163 1.00 29.68 O -5.333 -4.082 -31.196 1.00 29.68 C -6.418 -5.094 -30.780 1.00 29.68 C -6.201 -6.521 -31.307 1.00 29.68 C -6.894 -7.417 -30.773 1.00 29.68 O -5.395 -6.706 -32.243 1.00 29.68 O1- -2.990 -2.240 -29.636 1.00 31.87 N -1.737 -1.498 -29.693 1.00 31.87 C -1.000 -1.856 -30.989 1.00 31.87 C -0.102 -2.687 -30.981 1.00 31.87 O -0.893 -1.815 -28.437 1.00 31.87 C -1.539 -1.294 -27.141 1.00 31.87 C -0.728 -1.579 -25.865 1.00 31.87 C -0.994 -0.859 -24.868 1.00 31.87 O 0.118 -2.497 -25.869 1.00 31.87 O1- -1.388 -1.255 -32.116 1.00 28.31 N -0.581 -1.339 -33.334 1.00 28.31 C 0.473 -0.225 -33.322 1.00 28.31 C 0.179 0.976 -33.401 1.00 28.31 O -1.437 -1.383 -34.608 1.00 28.31 C -0.637 -1.855 -35.836 1.00 28.31 C 0.435 -2.473 -35.652 1.00 28.31 O -1.117 -1.592 -36.964 1.00 28.31 O1- 1.719 -0.649 -33.140 1.00 32.68 N 2.926 0.157 -33.225 1.00 32.68 C 3.154 0.580 -34.675 1.00 32.68 C 3.808 -0.113 -35.450 1.00 32.68 O 4.112 -0.662 -32.697 1.00 32.68 C 4.167 -1.918 -33.343 1.00 32.68 O 2.622 1.736 -35.052 1.00 29.29 N 2.900 2.331 -36.350 1.00 29.29 C 2.617 3.820 -36.330 1.00 29.29 C 1.458 4.233 -36.307 1.00 29.29 O 3.680 4.623 -36.345 1.00 29.08 N 3.604 6.057 -36.605 1.00 29.08 C 2.875 6.297 -37.931 1.00 29.08 C 3.383 5.991 -39.011 1.00 29.08 O 5.019 6.669 -36.662 1.00 29.08 C 5.543 7.134 -35.301 1.00 29.08 C 4.715 7.607 -34.483 1.00 29.08 O 6.768 7.036 -35.097 1.00 29.08 O1- 1.658 6.841 -37.860 1.00 31.61 N 0.946 7.364 -39.017 1.00 31.61 C 0.353 8.734 -38.702 1.00 31.61 C -0.316 8.946 -37.691 1.00 31.61 O -0.102 6.371 -39.549 1.00 31.61 C 0.488 5.158 -40.299 1.00 31.61 C -0.654 4.241 -40.745 1.00 31.61 C 1.262 5.547 -41.568 1.00 31.61 C 0.648 9.638 -39.633 1.00 32.22 N 0.405 11.068 -39.616 1.00 32.22 C -1.005 11.492 -39.196 1.00 32.22 C -2.029 10.929 -39.591 1.00 32.22 O 0.740 11.630 -41.014 1.00 32.22 C 2.165 12.131 -41.141 1.00 32.22 C 2.709 12.144 -42.334 1.00 32.22 N 2.791 12.557 -40.191 1.00 32.22 O -0.987 12.586 -38.445 1.00 29.04 N -2.096 13.328 -37.875 1.00 29.04 C -3.106 13.742 -38.960 1.00 29.04 C -2.867 14.635 -39.772 1.00 29.04 O -1.462 14.536 -37.143 1.00 29.04 C -2.167 14.976 -35.857 1.00 29.04 C -3.170 14.335 -35.450 1.00 29.04 O -1.671 15.948 -35.248 1.00 29.04 O1- -4.262 13.081 -38.990 1.00 31.26 N -5.442 13.626 -39.657 1.00 31.26 C -6.220 14.430 -38.626 1.00 31.26 C -6.779 13.866 -37.681 1.00 31.26 O -6.287 12.524 -40.293 1.00 31.26 C -5.547 11.911 -41.328 1.00 31.26 O -6.237 15.752 -38.811 1.00 28.53 N -7.035 16.704 -38.043 1.00 28.53 C -8.510 16.274 -38.037 1.00 28.53 C -9.266 16.554 -38.962 1.00 28.53 O -6.907 18.109 -38.664 1.00 28.53 C -5.541 18.778 -38.448 1.00 28.53 C -5.476 20.178 -39.062 1.00 28.53 C -4.464 20.955 -38.745 1.00 28.53 N -6.317 20.605 -39.834 1.00 28.53 O -8.942 15.583 -36.984 1.00 31.96 N -10.361 15.439 -36.681 1.00 31.96 C -10.760 16.600 -35.778 1.00 31.96 C -10.406 16.615 -34.594 1.00 31.96 O -10.675 14.069 -36.071 1.00 31.96 C -10.079 13.933 -34.794 1.00 31.96 O -11.484 17.563 -36.343 1.00 26.93 N -12.089 18.690 -35.639 1.00 26.93 C -13.109 18.192 -34.615 1.00 26.93 C -14.293 18.049 -34.902 1.00 26.93 O -12.758 19.642 -36.642 1.00 26.93 C -11.845 19.967 -37.671 1.00 26.93 O -12.650 17.920 -33.398 1.00 29.12 N -13.498 18.036 -32.216 1.00 29.12 C -13.163 19.408 -31.645 1.00 29.12 C -12.426 19.531 -30.669 1.00 29.12 O -13.332 16.861 -31.224 1.00 29.12 C -13.409 15.492 -31.939 1.00 29.12 C -14.432 16.970 -30.146 1.00 29.12 C -13.111 14.298 -31.024 1.00 29.12 C -13.640 20.456 -32.319 1.00 27.97 N -13.730 21.762 -31.685 1.00 27.97 C -14.635 21.583 -30.471 1.00 27.97 C -15.822 21.267 -30.575 1.00 27.97 O -14.282 22.833 -32.636 1.00 27.97 C -13.192 23.370 -33.575 1.00 27.97 C -13.705 24.476 -34.511 1.00 27.97 C -12.857 25.269 -34.974 1.00 27.97 O -14.929 24.504 -34.773 1.00 27.97 O1- -14.042 21.729 -29.291 1.00 31.79 N -14.776 21.965 -28.066 1.00 31.79 C -15.696 23.152 -28.316 1.00 31.79 C -15.234 24.288 -28.404 1.00 31.79 O -13.787 22.266 -26.935 1.00 31.79 C -12.817 23.204 -27.357 1.00 31.79 O -16.990 22.883 -28.454 1.00 26.30 N -18.039 23.886 -28.546 1.00 26.30 C -18.063 24.711 -27.255 1.00 26.30 C -18.786 24.405 -26.306 1.00 26.30 O -19.372 23.187 -28.848 1.00 26.30 C -19.564 22.094 -27.969 1.00 26.30 O -17.221 25.744 -27.215 1.00 29.08 N -17.248 26.848 -26.269 1.00 29.08 C -18.361 27.801 -26.717 1.00 29.08 C -18.115 28.831 -27.335 1.00 29.08 O -15.863 27.535 -26.235 1.00 29.08 C -14.764 26.756 -25.489 1.00 29.08 C -13.388 27.311 -25.855 1.00 29.08 C -14.931 26.866 -23.970 1.00 29.08 C -19.615 27.448 -26.432 1.00 27.84 N -20.722 28.404 -26.509 1.00 27.84 C -21.629 28.278 -25.290 1.00 27.84 C -22.742 27.763 -25.341 1.00 27.84 O -21.463 28.372 -27.855 1.00 27.84 C -22.460 27.377 -27.915 1.00 27.84 O -21.155 28.800 -24.170 1.00 30.90 N -22.036 29.289 -23.117 1.00 30.90 C -21.366 30.510 -22.511 1.00 30.90 C -20.498 30.404 -21.649 1.00 30.90 O -22.390 28.200 -22.097 1.00 30.90 C -21.237 27.534 -21.633 1.00 30.90 O -21.744 31.676 -23.046 1.00 27.99 N -21.516 32.983 -22.436 1.00 27.99 C -22.171 32.967 -21.053 1.00 27.99 C -23.380 33.131 -20.953 1.00 27.99 O -22.161 34.082 -23.307 1.00 27.99 C -21.408 34.411 -24.604 1.00 27.99 C -22.208 35.439 -25.422 1.00 27.99 C -21.417 35.901 -26.652 1.00 27.99 C -22.202 36.851 -27.482 1.00 27.99 N1+ -21.379 32.736 -20.016 1.00 31.22 N -21.705 33.107 -18.644 1.00 31.22 C -20.401 33.526 -17.971 1.00 31.22 C -19.365 32.893 -18.152 1.00 31.22 O -22.431 31.983 -17.900 1.00 31.22 C -23.396 32.548 -17.034 1.00 31.22 O -20.448 34.675 -17.315 1.00 31.97 N -19.321 35.560 -17.035 1.00 31.97 C -18.242 34.969 -16.101 1.00 31.97 C -18.502 34.162 -15.207 1.00 31.97 O -19.909 36.875 -16.497 1.00 31.97 C -20.717 37.623 -17.581 1.00 31.97 C -21.607 38.746 -17.028 1.00 31.97 C -21.870 39.690 -17.804 1.00 31.97 O -22.040 38.629 -15.860 1.00 31.97 O1- -17.000 35.406 -16.341 1.00 33.70 N -15.731 34.927 -15.781 1.00 33.70 C -15.587 35.115 -14.254 1.00 33.70 C -14.864 36.000 -13.799 1.00 33.70 O -14.579 35.676 -16.502 1.00 33.70 C -14.144 35.103 -17.831 1.00 33.70 C -13.448 35.879 -18.628 1.00 33.70 N -14.362 33.950 -18.147 1.00 33.70 O -16.169 34.224 -13.444 1.00 32.60 N -15.650 33.943 -12.082 1.00 32.60 C -14.946 32.586 -11.945 1.00 32.60 C -14.425 32.286 -10.880 1.00 32.60 O -16.719 34.179 -11.002 1.00 32.60 C -17.001 35.674 -10.787 1.00 32.60 C -17.823 35.873 -9.507 1.00 32.60 C -18.335 37.252 -9.393 1.00 32.60 N -18.998 37.756 -8.366 1.00 32.60 C -19.198 37.076 -7.271 1.00 32.60 N1+ -19.481 38.965 -8.426 1.00 32.60 N -14.863 31.804 -13.023 1.00 42.29 N -14.289 30.450 -13.023 1.00 42.29 C -12.839 30.340 -13.532 1.00 42.29 C -12.299 29.238 -13.549 1.00 42.29 O -15.231 29.511 -13.795 1.00 42.29 C -16.484 29.151 -13.022 1.00 42.29 C -16.414 28.157 -12.025 1.00 42.29 C -17.706 29.800 -13.287 1.00 42.29 C -17.563 27.806 -11.293 1.00 42.29 C -18.856 29.453 -12.552 1.00 42.29 C -18.787 28.455 -11.556 1.00 42.29 C -19.902 28.122 -10.856 1.00 42.29 O -12.175 31.429 -13.942 1.00 50.08 N -10.865 31.305 -14.603 1.00 50.08 C -9.731 30.905 -13.654 1.00 50.08 C -8.950 30.032 -14.002 1.00 50.08 O -10.505 32.568 -15.389 1.00 50.08 C -10.546 33.709 -14.552 1.00 50.08 O -9.637 31.474 -12.448 1.00 50.42 N -8.454 31.246 -11.605 1.00 50.42 C -8.444 29.887 -10.882 1.00 50.42 C -7.398 29.246 -10.828 1.00 50.42 O -8.246 32.424 -10.639 1.00 50.42 C -6.884 33.047 -10.801 1.00 50.42 C -6.615 34.338 -11.167 1.00 50.42 C -5.675 32.402 -10.669 1.00 50.42 N -4.701 33.286 -10.945 1.00 50.42 C -5.229 34.482 -11.255 1.00 50.42 N -9.592 29.428 -10.360 1.00 54.01 N -9.688 28.111 -9.704 1.00 54.01 C -9.651 26.955 -10.711 1.00 54.01 C -9.039 25.931 -10.432 1.00 54.01 O -10.958 28.000 -8.845 1.00 54.01 C -10.843 28.746 -7.511 1.00 54.01 C -12.234 28.453 -6.379 1.00 54.01 S -11.842 26.775 -5.798 1.00 54.01 C -10.260 27.118 -11.893 1.00 64.26 N -10.263 26.074 -12.922 1.00 64.26 C -8.870 25.772 -13.483 1.00 64.26 C -8.570 24.613 -13.746 1.00 64.26 O -8.012 26.795 -13.612 1.00 72.28 N -6.616 26.621 -14.048 1.00 72.28 C -5.833 25.796 -13.016 1.00 72.28 C -5.183 24.828 -13.391 1.00 72.28 O -5.961 27.994 -14.338 1.00 72.28 C -6.611 28.652 -15.580 1.00 72.28 C -4.446 27.858 -14.581 1.00 72.28 C -6.286 30.146 -15.733 1.00 72.28 C -5.971 26.102 -11.719 1.00 84.46 N -5.293 25.341 -10.661 1.00 84.46 C -5.745 23.873 -10.609 1.00 84.46 C -4.904 22.987 -10.482 1.00 84.46 O -5.520 26.006 -9.296 1.00 84.46 C -4.763 27.333 -9.155 1.00 84.46 C -4.958 27.989 -7.790 1.00 84.46 C -4.250 29.061 -7.509 1.00 84.46 N -5.745 27.587 -6.952 1.00 84.46 O -7.049 23.591 -10.740 1.00 89.16 N -7.537 22.202 -10.792 1.00 89.16 C -6.977 21.442 -12.005 1.00 89.16 C -6.662 20.258 -11.895 1.00 89.16 O -9.078 22.130 -10.844 1.00 89.16 C -9.803 22.540 -9.549 1.00 89.16 C -11.293 22.112 -9.499 1.00 89.16 C -11.942 22.290 -8.442 1.00 89.16 O -11.842 21.501 -10.450 1.00 89.16 O1- -6.854 22.102 -13.160 1.00 89.30 N -6.303 21.489 -14.369 1.00 89.30 C -4.801 21.202 -14.241 1.00 89.30 C -4.357 20.133 -14.663 1.00 89.30 O -6.634 22.355 -15.599 1.00 89.30 C -6.128 21.684 -16.885 1.00 89.30 C -6.599 22.315 -18.202 1.00 89.30 C -6.058 21.896 -19.256 1.00 89.30 O -7.607 23.051 -18.244 1.00 89.30 O1- -4.031 22.100 -13.630 1.00 91.19 N -2.599 21.896 -13.392 1.00 91.19 C -2.358 20.712 -12.445 1.00 91.19 C -1.594 19.800 -12.772 1.00 91.19 O -1.970 23.188 -12.844 1.00 91.19 C -1.921 24.331 -13.868 1.00 91.19 C -1.883 24.036 -15.087 1.00 91.19 O -1.877 25.501 -13.418 1.00 91.19 O1- -3.089 20.663 -11.324 1.00 92.50 N -3.036 19.546 -10.363 1.00 92.50 C -3.464 18.235 -11.025 1.00 92.50 C -2.812 17.202 -10.847 1.00 92.50 O -3.919 19.845 -9.134 1.00 92.50 C -3.988 18.658 -8.165 1.00 92.50 C -3.364 21.026 -8.328 1.00 92.50 C -4.531 18.266 -11.830 1.00 93.11 N -4.971 17.106 -12.599 1.00 93.11 C -3.854 16.612 -13.517 1.00 93.11 C -3.530 15.425 -13.494 1.00 93.11 O -6.219 17.470 -13.424 1.00 93.11 C -6.703 16.356 -14.366 1.00 93.11 C -7.127 15.093 -13.618 1.00 93.11 C -7.887 16.846 -15.200 1.00 93.11 C -3.286 17.511 -14.325 1.00 91.76 N -2.257 17.190 -15.305 1.00 91.76 C -1.027 16.578 -14.636 1.00 91.76 C -0.506 15.593 -15.153 1.00 91.76 O -1.881 18.453 -16.095 1.00 91.76 C -2.897 18.833 -17.158 1.00 91.76 C -2.988 20.104 -17.468 1.00 91.76 N -3.567 18.002 -17.761 1.00 91.76 O -0.595 17.103 -13.491 1.00 92.07 N 0.502 16.545 -12.699 1.00 92.07 C 0.187 15.115 -12.228 1.00 92.07 C 0.950 14.177 -12.477 1.00 92.07 O 0.760 17.481 -11.508 1.00 92.07 C 1.980 17.058 -10.678 1.00 92.07 C 2.136 17.864 -9.379 1.00 92.07 C 2.978 17.440 -8.557 1.00 92.07 O 1.398 18.856 -9.187 1.00 92.07 O1- -0.975 14.907 -11.599 1.00 93.02 N -1.312 13.626 -10.958 1.00 93.02 C -1.645 12.503 -11.940 1.00 93.02 C -1.521 11.332 -11.582 1.00 93.02 O -2.446 13.841 -9.952 1.00 93.02 C -2.018 14.712 -8.763 1.00 93.02 C -3.187 14.794 -7.785 1.00 93.02 C -2.951 15.756 -6.702 1.00 93.02 N -3.826 16.032 -5.753 1.00 93.02 C -4.889 15.310 -5.541 1.00 93.02 N1+ -3.676 17.063 -4.978 1.00 93.02 N -2.048 12.817 -13.175 1.00 92.03 N -2.353 11.800 -14.199 1.00 92.03 C -1.149 11.404 -15.064 1.00 92.03 C -1.294 10.505 -15.896 1.00 92.03 O -3.572 12.172 -15.067 1.00 92.03 C -3.228 13.358 -15.990 1.00 92.03 C -4.815 12.354 -14.177 1.00 92.03 C -4.380 13.858 -16.855 1.00 92.03 C 0.033 12.012 -14.887 1.00 90.93 N 1.209 11.733 -15.732 1.00 90.93 C 1.561 10.241 -15.801 1.00 90.93 C 1.856 9.719 -16.879 1.00 90.93 O 2.442 12.509 -15.234 1.00 90.93 C 2.397 14.013 -15.528 1.00 90.93 C 2.156 14.324 -17.003 1.00 90.93 C 1.187 15.148 -17.322 1.00 90.93 N 2.791 13.790 -17.897 1.00 90.93 O 1.432 9.513 -14.686 1.00 90.08 N 1.664 8.065 -14.650 1.00 90.08 C 0.796 7.281 -15.645 1.00 90.08 C 1.253 6.292 -16.218 1.00 90.08 O -0.426 7.751 -15.914 1.00 90.75 N -1.363 7.146 -16.868 1.00 90.75 C -1.130 7.572 -18.320 1.00 90.75 C -1.567 6.870 -19.236 1.00 90.75 O -2.795 7.499 -16.462 1.00 90.75 C -3.203 7.003 -15.094 1.00 90.75 C -3.797 5.734 -14.954 1.00 90.75 C -3.041 7.827 -13.967 1.00 90.75 C -4.302 5.327 -13.707 1.00 90.75 C -3.512 7.405 -12.714 1.00 90.75 C -4.171 6.172 -12.592 1.00 90.75 C -0.460 8.708 -18.528 1.00 91.42 N -0.081 9.217 -19.847 1.00 91.42 C 1.240 8.618 -20.344 1.00 91.42 C 1.486 8.640 -21.551 1.00 91.42 O 0.004 10.754 -19.792 1.00 91.42 C -1.318 11.466 -19.448 1.00 91.42 C -1.059 12.960 -19.278 1.00 91.42 C -2.369 11.305 -20.548 1.00 91.42 C 2.073 8.094 -19.436 1.00 91.48 N 3.351 7.449 -19.762 1.00 91.48 C 3.181 6.238 -20.686 1.00 91.48 C 2.229 5.462 -20.561 1.00 91.48 O 4.135 7.068 -18.493 1.00 91.48 C 3.562 5.980 -17.770 1.00 91.48 O 4.133 6.058 -21.605 1.00 91.56 N 4.284 4.835 -22.395 1.00 91.56 C 5.278 3.910 -21.699 1.00 91.56 C 6.326 4.353 -21.235 1.00 91.56 O 4.745 5.161 -23.818 1.00 91.56 C 3.620 5.725 -24.707 1.00 91.56 C 4.134 5.782 -26.151 1.00 91.56 C 3.125 6.219 -27.212 1.00 91.56 C 3.750 6.110 -28.562 1.00 91.56 N1+ 4.927 2.630 -21.603 1.00 91.60 N 5.768 1.593 -20.995 1.00 91.60 C 6.738 1.027 -22.026 1.00 91.60 C 6.396 0.983 -23.206 1.00 91.60 O 4.883 0.503 -20.368 1.00 91.60 C 3.890 1.024 -19.308 1.00 91.60 C 4.597 1.842 -18.218 1.00 91.60 C 3.652 2.299 -17.108 1.00 91.60 C 4.320 3.324 -16.265 1.00 91.60 N1+ 7.925 0.621 -21.580 1.00 93.10 N 8.965 0.052 -22.448 1.00 93.10 C 9.130 -1.441 -22.137 1.00 93.10 C 9.767 -1.786 -21.137 1.00 93.10 O 10.304 0.795 -22.317 1.00 93.10 C 11.209 0.401 -23.483 1.00 93.10 C 10.147 2.317 -22.376 1.00 93.10 C 8.516 -2.335 -22.930 1.00 92.72 N 8.631 -3.774 -22.725 1.00 92.72 C 9.976 -4.328 -23.214 1.00 92.72 C 10.681 -3.671 -23.980 1.00 92.72 O 7.451 -4.367 -23.498 1.00 92.72 C 7.304 -3.413 -24.682 1.00 92.72 C 7.641 -2.056 -24.066 1.00 92.72 C 10.304 -5.558 -22.806 1.00 92.92 N 11.446 -6.348 -23.288 1.00 92.92 C 12.801 -5.621 -23.227 1.00 92.92 C 13.679 -5.862 -24.051 1.00 92.92 O 11.138 -6.906 -24.688 1.00 92.92 C 9.852 -7.703 -24.753 1.00 92.92 C 9.097 -7.551 -25.815 1.00 92.92 N 9.501 -8.472 -23.876 1.00 92.92 O 12.973 -4.714 -22.267 1.00 93.03 N 14.200 -3.932 -22.090 1.00 93.03 C 15.123 -4.653 -21.112 1.00 93.03 C 14.691 -4.916 -19.985 1.00 93.03 O 13.879 -2.527 -21.578 1.00 93.03 C 15.105 -1.619 -21.515 1.00 93.03 C 12.966 -1.932 -22.465 1.00 93.03 O 16.364 -4.990 -21.499 1.00 94.94 N 17.364 -5.527 -20.584 1.00 94.94 C 17.730 -4.530 -19.478 1.00 94.94 C 17.997 -3.354 -19.732 1.00 94.94 O 18.577 -5.885 -21.448 1.00 94.94 C 17.982 -6.080 -22.840 1.00 94.94 C 16.866 -5.043 -22.865 1.00 94.94 C 17.754 -5.019 -18.242 1.00 96.21 N 18.076 -4.249 -17.040 1.00 96.21 C 19.102 -5.016 -16.216 1.00 96.21 C 18.918 -6.201 -15.921 1.00 96.21 O 16.818 -3.971 -16.197 1.00 96.21 C 17.135 -3.098 -14.978 1.00 96.21 C 15.717 -3.263 -16.998 1.00 96.21 C 20.156 -4.319 -15.806 1.00 96.95 N 21.164 -4.807 -14.862 1.00 96.95 C 20.854 -4.240 -13.483 1.00 96.95 C 20.579 -3.049 -13.335 1.00 96.95 O 22.592 -4.443 -15.307 1.00 96.95 C 23.633 -5.139 -14.422 1.00 96.95 C 22.843 -4.852 -16.764 1.00 96.95 C 20.868 -5.099 -12.472 1.00 97.73 N 20.640 -4.745 -11.072 1.00 97.73 C 21.865 -5.144 -10.264 1.00 97.73 C 22.107 -6.332 -10.057 1.00 97.73 O 19.364 -5.418 -10.536 1.00 97.73 C 19.141 -5.103 -9.053 1.00 97.73 C 18.118 -4.946 -11.302 1.00 97.73 C 22.603 -4.158 -9.763 1.00 96.82 N 23.750 -4.382 -8.887 1.00 96.82 C 23.372 -4.144 -7.427 1.00 96.82 C 22.875 -3.079 -7.048 1.00 96.82 O 24.951 -3.513 -9.256 1.00 96.82 C 25.319 -3.562 -10.731 1.00 96.82 C 25.533 -4.694 -11.227 1.00 96.82 O 25.432 -2.456 -11.307 1.00 96.82 O1- 23.663 -5.124 -6.581 1.00 96.58 N 23.551 -5.022 -5.135 1.00 96.58 C 24.919 -4.674 -4.557 1.00 96.58 C 25.878 -5.435 -4.691 1.00 96.58 O 22.973 -6.328 -4.568 1.00 96.58 C 21.573 -6.684 -5.104 1.00 96.58 C 21.036 -7.896 -4.352 1.00 96.58 C 20.560 -5.556 -4.921 1.00 96.58 C 25.008 -3.511 -3.909 1.00 94.71 N 26.265 -2.980 -3.392 1.00 94.71 C 26.316 -3.081 -1.861 1.00 94.71 C 25.404 -2.575 -1.189 1.00 94.71 O 26.498 -1.534 -3.858 1.00 94.71 C 26.478 -1.354 -5.390 1.00 94.71 C 25.142 -0.781 -5.863 1.00 94.71 C 27.581 -0.390 -5.831 1.00 94.71 C 27.381 -3.658 -1.275 1.00 93.07 N 27.581 -3.655 0.171 1.00 93.07 C 27.878 -2.242 0.696 1.00 93.07 C 28.252 -1.335 -0.051 1.00 93.07 O 28.743 -4.622 0.424 1.00 93.07 C 29.549 -4.570 -0.871 1.00 93.07 C 28.495 -4.322 -1.945 1.00 93.07 C 27.735 -2.040 2.014 1.00 87.35 N 28.093 -0.765 2.669 1.00 87.35 C 29.598 -0.486 2.603 1.00 87.35 C 29.991 0.625 2.261 1.00 87.35 O 27.583 -0.761 4.119 1.00 87.35 C 27.748 0.615 4.784 1.00 87.35 C 27.130 0.608 6.186 1.00 87.35 C 27.318 1.974 6.853 1.00 87.35 C 26.689 2.005 8.196 1.00 87.35 N1+ 30.405 -1.506 2.892 1.00 81.75 N 31.864 -1.455 2.842 1.00 81.75 C 32.370 -2.397 1.749 1.00 81.75 C 32.175 -3.609 1.841 1.00 81.75 O 32.474 -1.859 4.198 1.00 81.75 C 32.215 -0.855 5.323 1.00 81.75 C 32.156 0.358 5.029 1.00 81.75 O 32.081 -1.321 6.476 1.00 81.75 O1- 33.093 -1.863 0.756 1.00 70.67 N 33.705 -2.663 -0.326 1.00 70.67 C 34.715 -3.708 0.170 1.00 70.67 C 35.059 -4.620 -0.560 1.00 70.67 O 34.389 -1.747 -1.355 1.00 70.67 C 33.405 -0.870 -2.144 1.00 70.67 C 34.132 -0.162 -3.298 1.00 70.67 C 33.140 0.645 -4.143 1.00 70.67 C 33.771 1.162 -5.385 1.00 70.67 N1+ 35.204 -3.576 1.404 1.00 67.28 N 36.122 -4.540 2.021 1.00 67.28 C 35.412 -5.802 2.541 1.00 67.28 C 36.081 -6.782 2.849 1.00 67.28 O 36.875 -3.846 3.172 1.00 67.28 C 37.770 -2.664 2.757 1.00 67.28 C 38.350 -2.003 4.008 1.00 67.28 C 38.929 -3.099 1.859 1.00 67.28 C 34.081 -5.761 2.705 1.00 60.85 N 33.276 -6.830 3.324 1.00 60.85 C 32.527 -7.718 2.325 1.00 60.85 C 31.881 -8.660 2.766 1.00 60.85 O 32.309 -6.220 4.357 1.00 60.85 C 32.973 -6.012 5.724 1.00 60.85 C 31.940 -5.480 6.728 1.00 60.85 C 32.356 -5.736 8.124 1.00 60.85 N 31.647 -6.328 9.072 1.00 60.85 C 30.429 -6.753 8.876 1.00 60.85 N1+ 32.158 -6.511 10.257 1.00 60.85 N 32.594 -7.429 1.029 1.00 63.51 N 31.937 -8.223 -0.007 1.00 63.51 C 32.134 -7.627 -1.396 1.00 63.51 C 32.358 -6.420 -1.532 1.00 63.51 O 32.034 -8.482 -2.409 1.00 80.32 N 31.994 -8.068 -3.807 1.00 80.32 C 30.581 -7.610 -4.183 1.00 80.32 C 29.588 -7.998 -3.575 1.00 80.32 O 32.514 -9.192 -4.720 1.00 80.32 C 34.035 -9.374 -4.620 1.00 80.32 C 34.732 -8.349 -4.429 1.00 80.32 O 34.499 -10.525 -4.770 1.00 80.32 O1- 30.482 -6.735 -5.181 1.00 89.19 N 29.182 -6.343 -5.745 1.00 89.19 C 28.559 -7.545 -6.453 1.00 89.19 C 29.255 -8.247 -7.183 1.00 89.19 O 29.372 -5.164 -6.706 1.00 89.19 C 28.086 -4.671 -7.358 1.00 89.19 C 29.925 -4.101 -5.952 1.00 89.19 O 27.261 -7.777 -6.253 1.00 93.14 N 26.534 -8.853 -6.922 1.00 93.14 C 25.628 -8.276 -8.013 1.00 93.14 C 24.783 -7.432 -7.720 1.00 93.14 O 25.755 -9.665 -5.882 1.00 93.14 C 25.790 -8.748 -9.247 1.00 95.44 N 25.030 -8.276 -10.409 1.00 95.44 C 24.007 -9.315 -10.854 1.00 95.44 C 24.313 -10.502 -10.981 1.00 95.44 O 25.963 -7.919 -11.567 1.00 95.44 C 26.878 -6.921 -11.166 1.00 95.44 O 22.793 -8.852 -11.124 1.00 96.56 N 21.671 -9.653 -11.595 1.00 96.56 C 21.132 -9.052 -12.888 1.00 96.56 C 21.101 -7.836 -13.055 1.00 96.56 O 20.582 -9.730 -10.516 1.00 96.56 C 21.052 -10.368 -9.224 1.00 96.56 C 20.857 -11.743 -8.995 1.00 96.56 C 21.735 -9.591 -8.269 1.00 96.56 C 21.346 -12.339 -7.818 1.00 96.56 C 22.245 -10.191 -7.107 1.00 96.56 C 22.046 -11.563 -6.878 1.00 96.56 C 20.678 -9.910 -13.793 1.00 96.23 N 20.163 -9.504 -15.094 1.00 96.23 C 18.687 -9.863 -15.189 1.00 96.23 C 18.276 -10.956 -14.795 1.00 96.23 O 20.987 -10.160 -16.208 1.00 96.23 C 22.456 -9.787 -16.169 1.00 96.23 C 22.915 -8.663 -16.878 1.00 96.23 C 23.361 -10.541 -15.396 1.00 96.23 C 24.268 -8.287 -16.806 1.00 96.23 C 24.712 -10.163 -15.320 1.00 96.23 C 25.165 -9.033 -16.023 1.00 96.23 C 17.890 -8.951 -15.731 1.00 95.74 N 16.482 -9.181 -16.009 1.00 95.74 C 16.026 -8.435 -17.249 1.00 95.74 C 16.756 -7.634 -17.825 1.00 95.74 O 14.800 -8.712 -17.672 1.00 95.67 N 14.149 -8.015 -18.784 1.00 95.67 C 12.791 -7.516 -18.327 1.00 95.67 C 12.123 -8.175 -17.525 1.00 95.67 O 14.018 -8.900 -20.032 1.00 95.67 C 15.370 -9.136 -20.704 1.00 95.67 C 13.506 -10.172 -19.710 1.00 95.67 O 12.393 -6.331 -18.789 1.00 95.21 N 11.057 -5.819 -18.485 1.00 95.21 C 9.978 -6.661 -19.167 1.00 95.21 C 10.134 -7.104 -20.304 1.00 95.21 O 10.878 -4.334 -18.823 1.00 95.21 C 11.802 -3.432 -18.013 1.00 95.21 C 11.112 -4.049 -20.181 1.00 95.21 O 8.866 -6.876 -18.468 1.00 93.22 N 7.693 -7.577 -18.982 1.00 93.22 C 6.959 -6.769 -20.072 1.00 93.22 C 7.335 -5.647 -20.417 1.00 93.22 O 6.779 -7.985 -17.803 1.00 93.22 C 6.068 -6.841 -17.054 1.00 93.22 C 5.976 -5.706 -17.574 1.00 93.22 O 5.522 -7.093 -15.960 1.00 93.22 O1- 5.856 -7.310 -20.600 1.00 89.75 N 5.013 -6.638 -21.604 1.00 89.75 C 4.452 -5.281 -21.153 1.00 89.75 C 3.961 -4.512 -21.971 1.00 89.75 O 3.848 -7.555 -21.988 1.00 89.75 C 3.086 -7.919 -20.846 1.00 89.75 O 4.504 -4.979 -19.856 1.00 89.38 N 4.027 -3.739 -19.252 1.00 89.38 C 5.170 -2.841 -18.772 1.00 89.38 C 4.927 -1.859 -18.063 1.00 89.38 O 3.054 -4.092 -18.125 1.00 89.38 C 1.924 -4.983 -18.573 1.00 89.38 C 1.073 -4.551 -19.604 1.00 89.38 C 1.793 -6.278 -18.037 1.00 89.38 C 0.094 -5.422 -20.104 1.00 89.38 C 0.763 -7.123 -18.486 1.00 89.38 C -0.104 -6.685 -19.506 1.00 89.38 C -1.137 -7.475 -19.900 1.00 89.38 O 6.404 -3.157 -19.165 1.00 93.08 N 7.600 -2.410 -18.816 1.00 93.08 C 8.021 -2.542 -17.355 1.00 93.08 C 8.801 -1.712 -16.901 1.00 93.08 O 7.521 -3.527 -16.603 1.00 94.98 N 7.912 -3.755 -15.209 1.00 94.98 C 8.975 -4.847 -15.103 1.00 94.98 C 9.020 -5.773 -15.904 1.00 94.98 O 6.711 -4.110 -14.319 1.00 94.98 C 5.550 -3.159 -14.475 1.00 94.98 C 4.587 -3.546 -15.268 1.00 94.98 N 5.481 -2.091 -13.886 1.00 94.98 O 9.785 -4.774 -14.057 1.00 95.94 N 10.747 -5.793 -13.672 1.00 95.94 C 10.525 -6.164 -12.204 1.00 95.94 C 10.354 -5.288 -11.352 1.00 95.94 O 12.155 -5.239 -13.922 1.00 95.94 C 13.294 -6.198 -13.542 1.00 95.94 C 13.391 -7.366 -14.520 1.00 95.94 C 14.609 -5.429 -13.544 1.00 95.94 C 10.567 -7.463 -11.914 1.00 96.14 N 10.595 -8.024 -10.566 1.00 96.14 C 11.717 -9.064 -10.499 1.00 96.14 C 11.671 -10.062 -11.214 1.00 96.14 O 9.214 -8.626 -10.235 1.00 96.14 C 9.170 -9.479 -8.950 1.00 96.14 C 9.456 -8.684 -7.678 1.00 96.14 C 7.783 -10.101 -8.792 1.00 96.14 C 12.696 -8.843 -9.624 1.00 96.47 N 13.796 -9.776 -9.350 1.00 96.47 C 13.812 -10.085 -7.851 1.00 96.47 C 13.689 -9.177 -7.030 1.00 96.47 O 15.146 -9.206 -9.860 1.00 96.47 C 15.132 -9.102 -11.403 1.00 96.47 C 16.337 -10.063 -9.387 1.00 96.47 C 16.416 -8.516 -12.009 1.00 96.47 C 13.992 -11.360 -7.497 1.00 95.67 N 14.431 -11.793 -6.165 1.00 95.67 C 15.900 -12.190 -6.269 1.00 95.67 C 16.235 -13.134 -6.979 1.00 95.67 O 13.569 -12.955 -5.651 1.00 95.67 C 12.212 -12.477 -5.112 1.00 95.67 C 11.423 -13.660 -4.531 1.00 95.67 C 10.360 -13.203 -3.519 1.00 95.67 C 10.515 -13.918 -2.226 1.00 95.67 N1+ 16.763 -11.408 -5.641 1.00 95.33 N 18.209 -11.529 -5.724 1.00 95.33 C 18.762 -12.010 -4.382 1.00 95.33 C 18.457 -11.434 -3.344 1.00 95.33 O 18.770 -10.167 -6.132 1.00 95.33 C 19.581 -13.055 -4.401 1.00 93.20 N 20.146 -13.645 -3.188 1.00 93.20 C 21.641 -13.322 -3.069 1.00 93.20 C 22.401 -13.577 -4.008 1.00 93.20 O 19.955 -15.160 -3.207 1.00 93.20 C 18.521 -15.698 -3.243 1.00 93.20 C 18.528 -17.233 -3.392 1.00 93.20 C 17.582 -17.880 -2.907 1.00 93.20 O 19.491 -17.766 -4.011 1.00 93.20 O1- 22.075 -12.823 -1.911 1.00 92.58 N 23.467 -12.435 -1.623 1.00 92.58 C 23.952 -13.000 -0.288 1.00 92.58 C 23.169 -13.328 0.602 1.00 92.58 O 23.660 -10.904 -1.657 1.00 92.58 C 23.382 -10.340 -3.048 1.00 92.58 C 22.794 -10.235 -0.768 1.00 92.58 O 25.268 -13.122 -0.131 1.00 89.59 N 25.948 -13.514 1.114 1.00 89.59 C 26.309 -12.309 2.009 1.00 89.59 C 26.673 -12.468 3.173 1.00 89.59 O 27.182 -14.362 0.761 1.00 89.59 C 28.229 -13.643 -0.099 1.00 89.59 C 27.909 -12.558 -0.638 1.00 89.59 O 29.330 -14.213 -0.249 1.00 89.59 O1- 26.146 -11.086 1.502 1.00 91.44 N 26.272 -9.836 2.249 1.00 91.44 C 24.940 -9.084 2.305 1.00 91.44 C 24.090 -9.238 1.430 1.00 91.44 O 27.370 -8.964 1.623 1.00 91.44 C 27.062 -8.523 0.204 1.00 91.44 C 27.484 -9.317 -0.874 1.00 91.44 C 26.320 -7.351 -0.046 1.00 91.44 C 27.137 -8.970 -2.186 1.00 91.44 C 25.990 -6.990 -1.365 1.00 91.44 C 26.393 -7.808 -2.433 1.00 91.44 C 24.788 -8.212 3.307 1.00 92.68 N 23.656 -7.291 3.403 1.00 92.68 C 23.859 -6.101 2.444 1.00 92.68 C 24.779 -5.300 2.671 1.00 92.68 O 23.494 -6.830 4.864 1.00 92.68 C 22.341 -5.829 5.072 1.00 92.68 C 20.987 -6.421 4.686 1.00 92.68 C 22.278 -5.405 6.540 1.00 92.68 C 23.024 -5.932 1.402 1.00 94.62 N 23.132 -4.799 0.496 1.00 94.62 C 22.761 -3.492 1.197 1.00 94.62 C 21.829 -3.432 1.996 1.00 94.62 O 22.212 -5.103 -0.694 1.00 94.62 C 22.032 -6.618 -0.614 1.00 94.62 C 22.008 -6.837 0.890 1.00 94.62 C 23.490 -2.430 0.867 1.00 94.92 N 23.245 -1.057 1.326 1.00 94.92 C 22.595 -0.210 0.233 1.00 94.92 C 21.746 0.642 0.500 1.00 94.92 O 24.593 -0.462 1.733 1.00 94.92 C 24.492 0.867 2.207 1.00 94.92 O 22.982 -0.453 -1.023 1.00 96.35 N 22.469 0.254 -2.197 1.00 96.35 C 22.136 -0.730 -3.310 1.00 96.35 C 22.720 -1.809 -3.382 1.00 96.35 O 23.478 1.303 -2.683 1.00 96.35 C 23.784 2.387 -1.640 1.00 96.35 C 24.772 3.399 -2.225 1.00 96.35 C 25.096 4.488 -1.202 1.00 96.35 C 26.008 5.501 -1.786 1.00 96.35 N1+ 21.222 -0.314 -4.173 1.00 97.63 N 20.786 -1.018 -5.375 1.00 97.63 C 21.041 -0.069 -6.540 1.00 97.63 C 20.477 1.023 -6.559 1.00 97.63 O 19.290 -1.396 -5.272 1.00 97.63 C 19.014 -2.259 -4.020 1.00 97.63 C 18.849 -2.134 -6.550 1.00 97.63 C 17.533 -2.407 -3.670 1.00 97.63 C 21.892 -0.449 -7.482 1.00 97.26 N 22.072 0.280 -8.731 1.00 97.26 C 21.275 -0.422 -9.832 1.00 97.26 C 21.343 -1.641 -9.952 1.00 97.26 O 23.569 0.399 -9.033 1.00 97.26 C 23.830 1.190 -10.292 1.00 97.26 C 24.496 0.604 -11.261 1.00 97.26 N 23.428 2.344 -10.389 1.00 97.26 O 20.490 0.334 -10.593 1.00 97.66 N 19.688 -0.174 -11.707 1.00 97.66 C 20.170 0.522 -12.973 1.00 97.66 C 20.083 1.746 -13.066 1.00 97.66 O 18.175 0.045 -11.471 1.00 97.66 C 17.726 -0.578 -10.127 1.00 97.66 C 17.372 -0.564 -12.636 1.00 97.66 C 16.226 -0.460 -9.829 1.00 97.66 C 20.642 -0.257 -13.941 1.00 95.83 N 21.191 0.231 -15.210 1.00 95.83 C 20.403 -0.342 -16.383 1.00 95.83 C 20.129 -1.542 -16.423 1.00 95.83 O 22.684 -0.113 -15.330 1.00 95.83 C 23.349 0.539 -16.540 1.00 95.83 C 23.389 0.317 -14.186 1.00 95.83 O 20.033 0.502 -17.348 1.00 94.09 N 19.467 0.053 -18.622 1.00 94.09 C 20.609 -0.258 -19.588 1.00 94.09 C 21.362 0.639 -19.952 1.00 94.09 O 18.514 1.111 -19.215 1.00 94.09 C 17.370 1.548 -18.289 1.00 94.09 C 16.426 2.507 -19.015 1.00 94.09 C 16.547 0.372 -17.765 1.00 94.09 C 20.712 -1.508 -20.034 1.00 84.47 N 21.763 -1.962 -20.965 1.00 84.47 C 21.401 -1.677 -22.438 1.00 84.47 C 21.836 -2.348 -23.367 1.00 84.47 O 22.060 -3.443 -20.691 1.00 84.47 C 23.352 -3.957 -21.339 1.00 84.47 C 24.284 -3.142 -21.526 1.00 84.47 O 23.422 -5.190 -21.548 1.00 84.47 O1- 20.507 -0.714 -22.669 1.00 85.44 N 20.034 -0.335 -24.005 1.00 85.44 C 20.451 1.105 -24.295 1.00 85.44 C 20.186 1.974 -23.458 1.00 85.44 O 18.518 -0.496 -24.136 1.00 85.44 C 18.048 -0.384 -25.583 1.00 85.44 C 18.149 -1.777 -23.685 1.00 85.44 O 21.075 1.381 -25.457 1.00 80.22 N 21.409 2.738 -25.869 1.00 80.22 C 20.178 3.644 -25.910 1.00 80.22 C 19.068 3.210 -26.234 1.00 80.22 O 22.053 2.617 -27.253 1.00 80.22 C 22.588 1.189 -27.275 1.00 80.22 C 21.563 0.427 -26.443 1.00 80.22 C 20.385 4.918 -25.598 1.00 82.09 N 19.338 5.937 -25.587 1.00 82.09 C 19.657 6.959 -26.667 1.00 82.09 C 20.804 7.382 -26.818 1.00 82.09 O 19.244 6.575 -24.195 1.00 82.09 C 18.830 5.536 -23.135 1.00 82.09 C 18.267 7.761 -24.150 1.00 82.09 C 19.529 5.868 -21.831 1.00 82.09 C 18.627 7.390 -27.384 1.00 79.72 N 18.727 8.409 -28.419 1.00 79.72 C 19.426 9.665 -27.869 1.00 79.72 C 18.969 10.294 -26.912 1.00 79.72 O 17.314 8.735 -28.921 1.00 79.72 C 17.330 9.682 -30.132 1.00 79.72 C 15.927 10.163 -30.542 1.00 79.72 C 15.828 10.792 -31.621 1.00 79.72 O 14.966 10.011 -29.741 1.00 79.72 O1- 20.557 10.034 -28.472 1.00 80.30 N 21.310 11.238 -28.113 1.00 80.30 C 22.154 11.151 -26.833 1.00 80.30 C 22.803 12.140 -26.491 1.00 80.30 O 22.203 10.002 -26.151 1.00 74.61 N 23.015 9.798 -24.947 1.00 74.61 C 24.045 8.680 -25.150 1.00 74.61 C 23.707 7.567 -25.536 1.00 74.61 O 22.104 9.520 -23.747 1.00 74.61 C 21.354 10.740 -23.276 1.00 74.61 C 20.107 11.149 -23.667 1.00 74.61 C 21.820 11.665 -22.373 1.00 74.61 N 20.876 12.608 -22.220 1.00 74.61 C 19.813 12.340 -22.988 1.00 74.61 N 25.318 8.983 -24.874 1.00 73.23 N 26.405 8.008 -24.996 1.00 73.23 C 26.451 7.016 -23.822 1.00 73.23 C 26.826 5.861 -24.012 1.00 73.23 O 27.728 8.772 -25.126 1.00 73.23 C 26.070 7.470 -22.626 1.00 80.72 N 26.104 6.664 -21.409 1.00 80.72 C 24.735 6.016 -21.138 1.00 80.72 C 23.699 6.661 -21.344 1.00 80.72 O 26.555 7.513 -20.210 1.00 80.72 C 27.979 8.065 -20.349 1.00 80.72 C 28.863 7.328 -20.839 1.00 80.72 O 28.183 9.232 -19.941 1.00 80.72 O1- 24.702 4.768 -20.636 1.00 84.20 N 23.460 4.128 -20.218 1.00 84.20 C 22.833 4.865 -19.025 1.00 84.20 C 23.538 5.369 -18.145 1.00 84.20 O 23.850 2.689 -19.866 1.00 84.20 C 25.315 2.802 -19.443 1.00 84.20 C 25.847 3.917 -20.338 1.00 84.20 C 21.496 4.882 -18.939 1.00 89.38 N 20.812 5.359 -17.725 1.00 89.38 C 21.140 4.402 -16.584 1.00 89.38 C 20.846 3.208 -16.660 1.00 89.38 O 19.284 5.512 -17.908 1.00 89.38 C 18.962 6.758 -18.751 1.00 89.38 C 18.552 5.693 -16.562 1.00 89.38 C 17.561 6.703 -19.388 1.00 89.38 C 21.699 4.950 -15.507 1.00 93.14 N 21.969 4.235 -14.266 1.00 93.14 C 21.503 5.064 -13.077 1.00 93.14 C 21.941 6.199 -12.896 1.00 93.14 O 23.459 3.913 -14.157 1.00 93.14 C 23.680 2.900 -13.192 1.00 93.14 O 20.641 4.490 -12.242 1.00 95.95 N 20.119 5.136 -11.038 1.00 95.95 C 20.385 4.278 -9.798 1.00 95.95 C 20.228 3.057 -9.813 1.00 95.95 O 18.622 5.449 -11.176 1.00 95.95 C 18.327 6.556 -12.205 1.00 95.95 C 16.845 6.969 -12.205 1.00 95.95 C 16.286 7.175 -13.307 1.00 95.95 O 16.270 7.080 -11.095 1.00 95.95 O1- 20.780 4.918 -8.695 1.00 97.01 N 21.087 4.236 -7.431 1.00 97.01 C 20.045 4.547 -6.361 1.00 97.01 C 19.756 5.706 -6.069 1.00 97.01 O 22.490 4.591 -6.928 1.00 97.01 C 22.869 3.833 -5.654 1.00 97.01 C 23.489 4.263 -7.865 1.00 97.01 O 19.556 3.502 -5.699 1.00 97.30 N 18.539 3.549 -4.653 1.00 97.30 C 19.043 2.911 -3.349 1.00 97.30 C 19.944 2.070 -3.377 1.00 97.30 O 17.278 2.841 -5.166 1.00 97.30 C 16.756 3.422 -6.465 1.00 97.30 C 16.029 4.629 -6.457 1.00 97.30 C 17.064 2.797 -7.688 1.00 97.30 C 15.604 5.201 -7.670 1.00 97.30 C 16.646 3.374 -8.898 1.00 97.30 C 15.911 4.572 -8.888 1.00 97.30 C 18.485 3.282 -2.184 1.00 96.41 N 18.783 2.594 -0.931 1.00 96.41 C 18.166 1.187 -0.903 1.00 96.41 C 17.041 0.979 -1.371 1.00 96.41 O 18.213 3.496 0.166 1.00 96.41 C 17.039 4.190 -0.525 1.00 96.41 C 17.520 4.353 -1.966 1.00 96.41 C 18.891 0.237 -0.311 1.00 96.15 N 18.344 -1.052 0.097 1.00 96.15 C 17.790 -0.941 1.527 1.00 96.15 C 18.461 -0.409 2.412 1.00 96.15 O 19.437 -2.121 -0.002 1.00 96.15 C 16.581 -1.454 1.761 1.00 96.20 N 15.932 -1.406 3.073 1.00 96.20 C 15.955 -2.797 3.700 1.00 96.20 C 15.363 -3.715 3.144 1.00 96.20 O 14.490 -0.903 2.921 1.00 96.20 C 14.389 0.462 2.272 1.00 96.20 C 13.419 0.637 1.407 1.00 96.20 N 15.156 1.378 2.517 1.00 96.20 O 16.613 -2.968 4.841 1.00 96.68 N 16.581 -4.238 5.565 1.00 96.68 C 15.343 -4.323 6.458 1.00 96.68 C 15.073 -3.390 7.210 1.00 96.68 O 17.860 -4.404 6.382 1.00 96.68 C 17.878 -5.675 7.210 1.00 96.68 C 17.684 -5.591 8.601 1.00 96.68 C 18.023 -6.935 6.594 1.00 96.68 C 17.662 -6.757 9.385 1.00 96.68 C 18.001 -8.107 7.376 1.00 96.68 C 17.825 -8.018 8.773 1.00 96.68 C 17.805 -9.139 9.537 1.00 96.68 O 14.638 -5.453 6.406 1.00 97.70 N 13.504 -5.766 7.280 1.00 97.70 C 13.794 -7.066 8.020 1.00 97.70 C 14.067 -8.108 7.411 1.00 97.70 O 12.185 -5.847 6.492 1.00 97.70 C 11.016 -6.164 7.429 1.00 97.70 C 11.868 -4.518 5.793 1.00 97.70 C 13.724 -7.007 9.351 1.00 95.66 N 13.997 -8.155 10.214 1.00 95.66 C 13.004 -9.297 9.953 1.00 95.66 C 11.790 -9.052 9.910 1.00 95.66 O 13.924 -7.739 11.684 1.00 95.66 C 14.186 -8.842 12.536 1.00 95.66 O 13.473 -10.559 9.857 1.00 95.33 N 12.600 -11.716 9.664 1.00 95.33 C 11.751 -12.066 10.904 1.00 95.33 C 10.870 -12.926 10.836 1.00 95.33 O 13.540 -12.846 9.251 1.00 95.33 C 14.816 -12.513 10.012 1.00 95.33 C 14.867 -10.991 9.908 1.00 95.33 C 12.008 -11.405 12.039 1.00 95.12 N 11.323 -11.588 13.322 1.00 95.12 C 10.554 -10.328 13.736 1.00 95.12 C 10.693 -9.273 13.126 1.00 95.12 O 12.354 -11.951 14.401 1.00 95.12 C 13.207 -13.156 14.072 1.00 95.12 C 12.654 -14.447 14.150 1.00 95.12 C 14.548 -12.982 13.680 1.00 95.12 C 13.442 -15.567 13.826 1.00 95.12 C 15.336 -14.099 13.345 1.00 95.12 C 14.779 -15.394 13.414 1.00 95.12 C 15.520 -16.483 13.085 1.00 95.12 O 9.758 -10.422 14.801 1.00 95.51 N 8.993 -9.295 15.342 1.00 95.51 C 7.601 -9.174 14.726 1.00 95.51 C 6.998 -10.179 14.327 1.00 95.51 O 7.089 -7.945 14.673 1.00 97.82 N 5.724 -7.633 14.241 1.00 97.82 C 5.762 -6.794 12.966 1.00 97.82 C 6.553 -5.865 12.848 1.00 97.82 O 4.942 -6.918 15.364 1.00 97.82 C 4.982 -7.673 16.713 1.00 97.82 C 3.483 -6.657 14.935 1.00 97.82 C 4.454 -9.108 16.671 1.00 97.82 C 4.925 -7.143 11.998 1.00 98.38 N 4.636 -6.326 10.828 1.00 98.38 C 3.172 -5.892 10.806 1.00 98.38 C 2.310 -6.527 11.414 1.00 98.38 O 2.872 -4.832 10.073 1.00 98.79 N 1.519 -4.391 9.777 1.00 98.79 C 1.357 -4.310 8.263 1.00 98.79 C 2.118 -3.618 7.590 1.00 98.79 O 1.245 -3.079 10.530 1.00 98.79 C -0.220 -2.609 10.453 1.00 98.79 C -0.555 -1.746 11.670 1.00 98.79 C -0.503 -1.772 9.209 1.00 98.79 C 0.364 -5.026 7.734 1.00 98.80 N -0.029 -4.941 6.328 1.00 98.80 C -1.312 -4.122 6.249 1.00 98.80 C -2.343 -4.509 6.797 1.00 98.80 O -0.157 -6.316 5.645 1.00 98.80 C 1.105 -7.183 5.863 1.00 98.80 C -0.411 -6.073 4.149 1.00 98.80 C 1.024 -8.614 5.321 1.00 98.80 C -1.215 -2.974 5.594 1.00 98.70 N -2.253 -1.955 5.530 1.00 98.70 C -2.771 -1.810 4.108 1.00 98.70 C -1.982 -1.724 3.162 1.00 98.70 O -1.648 -0.631 5.989 1.00 98.70 C -2.611 0.384 6.088 1.00 98.70 O -4.085 -1.735 3.957 1.00 97.62 N -4.674 -1.140 2.768 1.00 97.62 C -4.493 0.390 2.743 1.00 97.62 C -4.164 1.018 3.748 1.00 97.62 O -6.134 -1.556 2.657 1.00 97.62 C -6.736 -1.014 1.370 1.00 97.62 C -6.066 -1.098 0.311 1.00 97.62 O -7.885 -0.570 1.390 1.00 97.62 O1- -4.675 1.014 1.578 1.00 97.68 N -4.491 2.457 1.414 1.00 97.68 C -5.825 3.200 1.342 1.00 97.68 C -6.094 4.060 2.188 1.00 97.68 O -3.557 2.779 0.233 1.00 97.68 C -2.165 2.141 0.459 1.00 97.68 C -3.423 4.300 0.043 1.00 97.68 C -1.210 2.320 -0.725 1.00 97.68 C -6.610 2.924 0.301 1.00 95.31 N -7.806 3.696 -0.033 1.00 95.31 C -8.896 3.443 1.022 1.00 95.31 C -9.129 2.319 1.433 1.00 95.31 O -8.253 3.374 -1.473 1.00 95.31 C -7.296 3.894 -2.564 1.00 95.31 C -6.698 5.002 -2.434 1.00 95.31 O -7.141 3.212 -3.606 1.00 95.31 O1- -9.476 4.512 1.567 1.00 95.36 N -10.428 4.517 2.691 1.00 95.36 C -9.963 3.835 3.993 1.00 95.36 C -10.683 3.865 4.991 1.00 95.36 O -11.825 4.080 2.219 1.00 95.36 C -12.391 5.047 1.178 1.00 95.36 C -12.019 6.250 1.186 1.00 95.36 O -13.235 4.662 0.349 1.00 95.36 O1- -8.729 3.336 4.048 1.00 97.54 N -8.098 2.796 5.259 1.00 97.54 C -7.212 3.840 5.936 1.00 97.54 C -7.460 4.219 7.082 1.00 97.54 O -7.320 1.519 4.922 1.00 97.54 C -6.643 0.922 6.157 1.00 97.54 C -8.219 0.536 4.484 1.00 97.54 O -6.203 4.351 5.221 1.00 97.84 N -5.298 5.411 5.708 1.00 97.84 C -5.465 6.724 4.939 1.00 97.84 C -4.982 7.757 5.391 1.00 97.84 O -3.822 4.951 5.702 1.00 97.84 C -3.246 4.907 4.271 1.00 97.84 C -3.649 3.623 6.455 1.00 97.84 C -1.811 4.385 4.157 1.00 97.84 C -6.126 6.672 3.778 1.00 96.54 N -6.295 7.772 2.828 1.00 96.54 C -7.775 7.920 2.486 1.00 96.54 C -8.345 7.026 1.874 1.00 96.54 O -5.464 7.420 1.581 1.00 96.54 C -5.591 8.443 0.449 1.00 96.54 C -4.851 7.985 -0.806 1.00 96.54 C -5.443 8.675 -2.037 1.00 96.54 C -6.009 7.656 -2.957 1.00 96.54 N1+ -8.394 9.052 2.806 1.00 94.85 N -9.780 9.309 2.415 1.00 94.85 C -9.909 9.431 0.890 1.00 94.85 C -9.374 10.355 0.271 1.00 94.85 O -10.327 10.550 3.129 1.00 94.85 C -11.795 10.755 2.852 1.00 94.85 C -12.347 11.557 1.889 1.00 94.85 C -12.832 10.121 3.494 1.00 94.85 N -13.982 10.533 2.936 1.00 94.85 C -13.737 11.403 1.944 1.00 94.85 N -10.638 8.499 0.284 1.00 92.50 N -10.871 8.439 -1.162 1.00 92.50 C -12.336 8.458 -1.548 1.00 92.50 C -12.674 9.096 -2.547 1.00 92.50 O -10.237 7.196 -1.779 1.00 92.50 C -8.736 7.358 -1.868 1.00 92.50 C -10.440 6.019 -1.049 1.00 92.50 O -13.203 7.818 -0.765 1.00 90.25 N -14.622 7.665 -1.054 1.00 90.25 C -14.896 6.631 -2.146 1.00 90.25 C -15.645 6.928 -3.075 1.00 90.25 O -14.301 5.437 -2.053 1.00 87.42 N -14.519 4.300 -2.971 1.00 87.42 C -15.990 3.871 -2.989 1.00 87.42 C -16.511 3.499 -4.039 1.00 87.42 O -13.638 3.093 -2.564 1.00 87.42 C -13.872 1.867 -3.458 1.00 87.42 C -12.146 3.419 -2.664 1.00 87.42 C -16.682 3.972 -1.851 1.00 85.56 N -18.128 3.703 -1.718 1.00 85.56 C -19.017 4.825 -2.262 1.00 85.56 C -20.235 4.657 -2.366 1.00 85.56 O -18.497 3.487 -0.243 1.00 85.56 C -17.789 2.269 0.335 1.00 85.56 C -18.108 4.622 0.499 1.00 85.56 O -18.430 5.981 -2.578 1.00 85.28 N -19.122 7.147 -3.107 1.00 85.28 C -19.351 7.077 -4.615 1.00 85.28 C -19.106 6.073 -5.285 1.00 85.28 O -19.824 8.185 -5.184 1.00 88.06 N -19.951 8.285 -6.630 1.00 88.06 C -18.572 8.404 -7.306 1.00 88.06 C -17.605 8.961 -6.771 1.00 88.06 O -20.898 9.426 -7.015 1.00 88.06 C -20.218 10.775 -6.846 1.00 88.06 C -19.554 11.203 -7.817 1.00 88.06 O -20.283 11.343 -5.738 1.00 88.06 O1- -18.495 7.914 -8.547 1.00 86.17 N -17.243 7.857 -9.318 1.00 86.17 C -16.590 9.221 -9.502 1.00 86.17 C -15.376 9.303 -9.686 1.00 86.17 O -17.518 7.269 -10.704 1.00 86.17 C -18.004 5.819 -10.640 1.00 86.17 C -18.161 5.289 -12.065 1.00 86.17 C -18.560 3.876 -12.055 1.00 86.17 N -19.245 3.257 -12.996 1.00 86.17 C -19.565 3.842 -14.119 1.00 86.17 N1+ -19.634 2.029 -12.814 1.00 86.17 N -17.390 10.288 -9.545 1.00 89.35 N -16.899 11.637 -9.793 1.00 89.35 C -16.266 12.220 -8.539 1.00 89.35 C -15.182 12.793 -8.647 1.00 89.35 O -18.042 12.476 -10.366 1.00 89.35 C -17.612 13.903 -10.669 1.00 89.35 C -18.846 14.711 -11.058 1.00 89.35 C -18.452 16.108 -11.231 1.00 89.35 N -17.861 16.607 -12.289 1.00 89.35 C -17.894 16.007 -13.450 1.00 89.35 N1+ -17.214 17.723 -12.143 1.00 89.35 N -16.888 12.028 -7.383 1.00 90.01 N -16.325 12.402 -6.087 1.00 90.01 C -15.024 11.659 -5.815 1.00 90.01 C -14.018 12.310 -5.544 1.00 90.01 O -17.335 12.151 -4.972 1.00 90.01 C -18.432 13.014 -5.172 1.00 90.01 O -14.986 10.337 -6.023 1.00 90.82 N -13.751 9.552 -5.894 1.00 90.82 C -12.634 10.103 -6.795 1.00 90.82 C -11.522 10.369 -6.338 1.00 90.82 O -14.043 8.084 -6.234 1.00 90.82 C -12.826 7.183 -5.987 1.00 90.82 C -12.943 5.572 -6.804 1.00 90.82 S -11.365 4.862 -6.264 1.00 90.82 C -12.930 10.340 -8.079 1.00 91.27 N -11.952 10.895 -9.015 1.00 91.27 C -11.434 12.265 -8.557 1.00 91.27 C -10.227 12.505 -8.580 1.00 91.27 O -12.573 10.990 -10.412 1.00 91.27 C -11.623 11.536 -11.460 1.00 91.27 C -11.471 12.927 -11.625 1.00 91.27 C -10.857 10.654 -12.243 1.00 91.27 C -10.569 13.435 -12.576 1.00 91.27 C -9.954 11.163 -13.191 1.00 91.27 C -9.814 12.549 -13.359 1.00 91.27 C -12.324 13.164 -8.122 1.00 92.38 N -11.930 14.494 -7.640 1.00 92.38 C -11.105 14.411 -6.360 1.00 92.38 C -10.088 15.091 -6.282 1.00 92.38 O -13.156 15.393 -7.451 1.00 92.38 C -13.729 15.851 -8.802 1.00 92.38 C -14.907 16.816 -8.624 1.00 92.38 C -14.506 18.077 -7.958 1.00 92.38 N -13.950 19.157 -8.495 1.00 92.38 C -13.686 19.282 -9.767 1.00 92.38 N1+ -13.615 20.158 -7.738 1.00 92.38 N -11.467 13.545 -5.417 1.00 92.50 N -10.690 13.311 -4.201 1.00 92.50 C -9.249 12.915 -4.535 1.00 92.50 C -8.316 13.519 -4.017 1.00 92.50 O -11.394 12.248 -3.336 1.00 92.50 C -12.673 12.744 -2.683 1.00 92.50 C -13.481 11.852 -2.171 1.00 92.50 N -12.941 13.933 -2.608 1.00 92.50 O -9.050 11.962 -5.450 1.00 92.77 N -7.705 11.472 -5.794 1.00 92.77 C -6.917 12.452 -6.672 1.00 92.77 C -5.729 12.680 -6.440 1.00 92.77 O -7.790 10.076 -6.444 1.00 92.77 C -6.401 9.531 -6.805 1.00 92.77 C -8.457 9.073 -5.485 1.00 92.77 C -7.539 13.043 -7.689 1.00 93.21 N -6.798 13.763 -8.730 1.00 93.21 C -6.864 15.283 -8.631 1.00 93.21 C -6.079 15.934 -9.307 1.00 93.21 O -7.222 13.253 -10.111 1.00 93.21 C -6.842 11.803 -10.334 1.00 93.21 C -5.490 11.459 -10.505 1.00 93.21 C -7.821 10.794 -10.324 1.00 93.21 C -5.113 10.115 -10.650 1.00 93.21 C -7.449 9.447 -10.482 1.00 93.21 C -6.093 9.106 -10.640 1.00 93.21 C -7.752 15.845 -7.807 1.00 92.51 N -8.009 17.293 -7.765 1.00 92.51 C -7.845 17.859 -6.359 1.00 92.51 C -7.113 18.826 -6.171 1.00 92.51 O -9.418 17.608 -8.322 1.00 92.51 C -9.686 16.975 -9.703 1.00 92.51 C -9.657 19.125 -8.376 1.00 92.51 C -8.725 17.429 -10.799 1.00 92.51 C -8.520 17.274 -5.367 1.00 91.34 N -8.514 17.793 -4.003 1.00 91.34 C -7.116 17.738 -3.379 1.00 91.34 C -6.260 16.937 -3.770 1.00 91.34 O -9.558 17.069 -3.140 1.00 91.34 C -10.993 17.278 -3.573 1.00 91.34 C -11.521 18.359 -4.233 1.00 91.34 C -12.045 16.430 -3.325 1.00 91.34 N -13.162 16.967 -3.829 1.00 91.34 C -12.895 18.143 -4.423 1.00 91.34 N -6.876 18.620 -2.410 1.00 90.70 N -5.594 18.709 -1.717 1.00 90.70 C -5.246 17.377 -1.034 1.00 90.70 C -6.113 16.707 -0.476 1.00 90.70 O -5.624 19.867 -0.711 1.00 90.70 C -4.206 20.250 -0.283 1.00 90.70 C -3.534 19.389 0.327 1.00 90.70 O -3.774 21.361 -0.640 1.00 90.70 O1- -3.970 17.004 -1.050 1.00 90.75 N -3.463 15.789 -0.397 1.00 90.75 C -3.719 15.812 1.119 1.00 90.75 C -3.897 14.760 1.729 1.00 90.75 O -1.963 15.645 -0.717 1.00 90.75 C -1.313 14.458 -0.009 1.00 90.75 C -1.736 15.462 -2.226 1.00 90.75 C -3.803 16.992 1.740 1.00 90.91 N -4.179 17.142 3.148 1.00 90.91 C -5.616 16.687 3.426 1.00 90.91 C -5.880 16.160 4.503 1.00 90.91 O -4.019 18.604 3.583 1.00 90.91 C -2.555 19.063 3.569 1.00 90.91 C -2.377 20.488 4.083 1.00 90.91 C -1.183 21.031 3.993 1.00 90.91 N -3.270 21.140 4.597 1.00 90.91 O -6.528 16.809 2.452 1.00 93.48 N -7.915 16.330 2.595 1.00 93.48 C -8.024 14.806 2.696 1.00 93.48 C -9.084 14.281 3.021 1.00 93.48 O -8.804 16.845 1.457 1.00 93.48 C -8.554 16.192 0.224 1.00 93.48 O -6.935 14.083 2.426 1.00 96.56 N -6.903 12.632 2.544 1.00 96.56 C -6.630 12.135 3.953 1.00 96.56 C -6.844 10.955 4.217 1.00 96.56 O -5.817 12.073 1.642 1.00 96.56 C -5.963 12.337 0.186 1.00 96.56 C -7.058 12.831 -0.434 1.00 96.56 C -4.967 12.129 -0.849 1.00 96.56 C -5.523 12.574 -2.079 1.00 96.56 C -3.653 11.616 -0.873 1.00 96.56 C -6.792 12.985 -1.772 1.00 96.56 N -4.800 12.562 -3.265 1.00 96.56 C -2.911 11.594 -2.067 1.00 96.56 C -3.487 12.086 -3.247 1.00 96.56 C -6.075 12.973 4.829 1.00 97.07 N -5.693 12.545 6.175 1.00 97.07 C -6.941 12.141 6.952 1.00 97.07 C -7.884 12.913 7.080 1.00 97.07 O -4.869 13.621 6.901 1.00 97.07 C -4.484 13.153 8.309 1.00 97.07 C -3.565 13.899 6.133 1.00 97.07 C -6.932 10.909 7.456 1.00 96.52 N -7.961 10.392 8.354 1.00 96.52 C -7.472 10.610 9.785 1.00 96.52 C -6.408 10.108 10.160 1.00 96.52 O -8.260 8.909 8.047 1.00 96.52 C -8.707 8.729 6.575 1.00 96.52 C -9.343 8.381 9.006 1.00 96.52 C -8.892 7.271 6.146 1.00 96.52 C -8.242 11.351 10.577 1.00 96.32 N -7.877 11.709 11.947 1.00 96.32 C -7.559 10.473 12.801 1.00 96.32 C -8.219 9.440 12.716 1.00 96.32 O -8.985 12.558 12.592 1.00 96.32 C -9.095 13.970 12.003 1.00 96.32 C -8.122 14.409 11.349 1.00 96.32 O -10.136 14.614 12.251 1.00 96.32 O1- -6.500 10.561 13.611 1.00 97.88 N -6.051 9.488 14.507 1.00 97.88 C -5.232 8.368 13.849 1.00 97.88 C -4.339 7.822 14.499 1.00 97.88 O -5.435 8.056 12.562 1.00 98.36 N -4.715 6.951 11.888 1.00 98.36 C -3.201 7.211 11.778 1.00 98.36 C -2.430 6.310 12.124 1.00 98.36 O -5.326 6.571 10.519 1.00 98.36 C -4.747 5.248 9.999 1.00 98.36 C -6.841 6.362 10.593 1.00 98.36 C -2.719 8.419 11.399 1.00 98.40 N -1.288 8.729 11.424 1.00 98.40 C -0.653 8.537 12.804 1.00 98.40 C 0.453 8.007 12.902 1.00 98.40 O -1.174 10.190 10.976 1.00 98.40 C -2.394 10.385 10.086 1.00 98.40 C -3.446 9.519 10.771 1.00 98.40 C -1.353 8.945 13.871 1.00 98.25 N -0.878 8.794 15.247 1.00 98.25 C -0.770 7.317 15.629 1.00 98.25 C 0.250 6.912 16.182 1.00 98.25 O -1.810 9.558 16.206 1.00 98.25 C -1.440 9.402 17.696 1.00 98.25 C -0.057 9.977 18.009 1.00 98.25 C -2.473 10.120 18.561 1.00 98.25 C -1.779 6.509 15.303 1.00 98.53 N -1.754 5.068 15.543 1.00 98.53 C -0.548 4.404 14.866 1.00 98.53 C 0.248 3.743 15.534 1.00 98.53 O -3.079 4.460 15.066 1.00 98.53 C -3.174 2.964 15.092 1.00 98.53 C -2.455 2.124 15.871 1.00 98.53 C -4.042 2.102 14.297 1.00 98.53 C -3.792 0.746 14.664 1.00 98.53 C -5.012 2.328 13.298 1.00 98.53 C -2.841 0.822 15.651 1.00 98.53 N -4.459 -0.332 14.072 1.00 98.53 C -5.686 1.251 12.691 1.00 98.53 C -5.413 -0.075 13.075 1.00 98.53 C -0.362 4.634 13.565 1.00 98.74 N 0.691 3.971 12.792 1.00 98.74 C 2.087 4.417 13.240 1.00 98.74 C 2.961 3.577 13.446 1.00 98.74 O 0.481 4.237 11.296 1.00 98.74 C -0.527 3.335 10.601 1.00 98.74 C -0.226 2.824 9.322 1.00 98.74 C -1.746 2.983 11.217 1.00 98.74 C -1.117 1.943 8.682 1.00 98.74 C -2.639 2.107 10.580 1.00 98.74 C -2.326 1.584 9.313 1.00 98.74 C -3.198 0.739 8.710 1.00 98.74 O 2.291 5.722 13.460 1.00 98.59 N 3.565 6.248 13.976 1.00 98.59 C 3.870 5.723 15.375 1.00 98.59 C 5.002 5.349 15.638 1.00 98.59 O 3.558 7.781 13.960 1.00 98.59 C 3.740 8.315 12.533 1.00 98.59 C 3.547 9.834 12.477 1.00 98.59 C 4.017 10.337 11.109 1.00 98.59 C 3.483 11.682 10.786 1.00 98.59 N1+ 2.865 5.603 16.244 1.00 98.40 N 3.064 5.034 17.586 1.00 98.40 C 3.517 3.576 17.509 1.00 98.40 C 4.456 3.197 18.202 1.00 98.40 O 1.794 5.142 18.442 1.00 98.40 C 2.008 4.655 19.874 1.00 98.40 C 1.380 6.484 18.544 1.00 98.40 O 2.897 2.756 16.655 1.00 98.27 N 3.319 1.365 16.467 1.00 98.27 C 4.745 1.257 15.913 1.00 98.27 C 5.518 0.432 16.393 1.00 98.27 O 2.330 0.645 15.538 1.00 98.27 C 0.954 0.311 16.136 1.00 98.27 C 0.195 -0.571 15.143 1.00 98.27 C 1.064 -0.431 17.467 1.00 98.27 C 5.103 2.102 14.950 1.00 98.26 N 6.460 2.156 14.411 1.00 98.26 C 7.483 2.573 15.478 1.00 98.26 C 8.422 1.839 15.761 1.00 98.26 O 6.463 3.127 13.230 1.00 98.26 C 7.804 3.271 12.573 1.00 98.26 C 8.361 2.442 11.635 1.00 98.26 C 8.697 4.287 12.808 1.00 98.26 N 9.762 4.084 12.022 1.00 98.26 C 9.590 2.996 11.255 1.00 98.26 N 7.269 3.725 16.115 1.00 97.72 N 8.275 4.372 16.961 1.00 97.72 C 8.393 3.730 18.353 1.00 97.72 C 9.467 3.744 18.954 1.00 97.72 O 7.938 5.870 17.098 1.00 97.72 C 7.942 6.667 15.782 1.00 97.72 C 8.565 6.212 14.794 1.00 97.72 O 7.337 7.765 15.772 1.00 97.72 O1- 7.294 3.188 18.895 1.00 96.06 N 7.239 2.655 20.271 1.00 96.06 C 7.290 1.129 20.307 1.00 96.06 C 7.790 0.565 21.280 1.00 96.06 O 5.993 3.177 21.024 1.00 96.06 C 5.960 2.739 22.496 1.00 96.06 C 5.924 4.712 21.007 1.00 96.06 C 6.761 0.452 19.284 1.00 95.45 N 6.625 -1.005 19.265 1.00 95.45 C 7.458 -1.708 18.175 1.00 95.45 C 7.342 -2.928 18.055 1.00 95.45 O 5.131 -1.361 19.228 1.00 95.45 C 8.296 -0.970 17.432 1.00 96.20 N 9.207 -1.496 16.398 1.00 96.20 C 8.470 -2.351 15.347 1.00 96.20 C 8.861 -3.470 15.010 1.00 96.20 O 10.414 -2.180 17.069 1.00 96.20 C 11.608 -2.407 16.131 1.00 96.20 C 11.914 -1.490 15.338 1.00 96.20 O 12.284 -3.451 16.303 1.00 96.20 O1- 7.315 -1.851 14.893 1.00 98.30 N 6.479 -2.517 13.885 1.00 98.30 C 6.928 -2.121 12.478 1.00 98.30 C 6.966 -0.938 12.146 1.00 98.30 O 4.983 -2.217 14.104 1.00 98.30 C 4.097 -2.868 13.033 1.00 98.30 C 4.503 -2.742 15.466 1.00 98.30 C 7.179 -3.115 11.623 1.00 98.54 N 7.465 -2.907 10.197 1.00 98.54 C 6.176 -2.726 9.381 1.00 98.54 C 5.204 -3.452 9.582 1.00 98.54 O 8.250 -4.093 9.633 1.00 98.54 C 9.680 -4.175 10.162 1.00 98.54 C 10.466 -3.258 9.864 1.00 98.54 O 10.018 -5.239 10.728 1.00 98.54 O1- 6.164 -1.817 8.405 1.00 98.73 N 4.960 -1.484 7.632 1.00 98.73 C 5.026 -1.975 6.191 1.00 98.73 C 6.046 -1.851 5.523 1.00 98.73 O 4.687 0.022 7.698 1.00 98.73 C 4.095 0.425 9.029 1.00 98.73 C 2.706 0.608 9.163 1.00 98.73 C 4.923 0.513 10.162 1.00 98.73 C 2.153 0.879 10.426 1.00 98.73 C 4.364 0.759 11.423 1.00 98.73 C 2.983 0.958 11.554 1.00 98.73 C 3.900 -2.476 5.688 1.00 98.76 N 3.707 -2.899 4.305 1.00 98.76 C 2.366 -2.360 3.814 1.00 98.76 C 1.356 -2.509 4.497 1.00 98.76 O 3.722 -4.433 4.208 1.00 98.76 C 4.960 -5.126 4.751 1.00 98.76 C 5.928 -5.642 3.871 1.00 98.76 C 5.140 -5.272 6.141 1.00 98.76 C 7.087 -6.257 4.376 1.00 98.76 C 6.299 -5.884 6.646 1.00 98.76 C 7.269 -6.383 5.762 1.00 98.76 C 2.329 -1.775 2.620 1.00 98.71 N 1.104 -1.214 2.051 1.00 98.71 C 0.665 -2.030 0.840 1.00 98.71 C 1.433 -2.173 -0.111 1.00 98.71 O 1.317 0.264 1.716 1.00 98.71 C 1.691 1.098 2.922 1.00 98.71 C 0.676 1.550 3.786 1.00 98.71 C 3.045 1.369 3.210 1.00 98.71 C 1.011 2.267 4.946 1.00 98.71 C 3.382 2.087 4.373 1.00 98.71 C 2.363 2.528 5.242 1.00 98.71 C 2.675 3.179 6.385 1.00 98.71 O -0.555 -2.564 0.851 1.00 97.39 N -1.115 -3.382 -0.234 1.00 97.39 C -2.472 -2.819 -0.626 1.00 97.39 C -3.430 -2.968 0.116 1.00 97.39 O -1.249 -4.866 0.169 1.00 97.39 C -1.819 -5.692 -0.996 1.00 97.39 C 0.099 -5.490 0.558 1.00 97.39 C -2.564 -2.221 -1.812 1.00 95.07 N -3.785 -1.554 -2.270 1.00 95.07 C -4.214 -1.990 -3.667 1.00 95.07 C -3.397 -2.333 -4.529 1.00 95.07 O -3.611 -0.039 -2.197 1.00 95.07 C -4.776 0.582 -2.687 1.00 95.07 O -5.524 -1.922 -3.907 1.00 91.32 N -6.116 -2.078 -5.231 1.00 91.32 C -5.951 -0.830 -6.121 1.00 91.32 C -6.288 -0.909 -7.310 1.00 91.32 O -7.588 -2.497 -5.069 1.00 91.32 C -7.754 -3.961 -4.706 1.00 91.32 C -8.750 -4.290 -3.919 1.00 91.32 N -7.053 -4.843 -5.193 1.00 91.32 O -5.402 0.281 -5.602 1.00 91.80 N -5.104 1.467 -6.412 1.00 91.80 C -4.205 1.102 -7.606 1.00 91.80 C -3.325 0.239 -7.495 1.00 91.80 O -4.397 2.606 -5.656 1.00 91.80 C -4.757 2.782 -4.308 1.00 91.80 O -4.375 1.765 -8.760 1.00 91.56 N -3.526 1.543 -9.926 1.00 91.56 C -2.065 1.936 -9.665 1.00 91.56 C -1.788 2.987 -9.099 1.00 91.56 O -4.158 2.396 -11.028 1.00 91.56 C -4.907 3.492 -10.278 1.00 91.56 C -5.376 2.789 -9.018 1.00 91.56 C -1.105 1.151 -10.162 1.00 92.86 N 0.336 1.431 -10.008 1.00 92.86 C 0.753 2.816 -10.529 1.00 92.86 C 1.727 3.400 -10.065 1.00 92.86 O 1.166 0.298 -10.651 1.00 92.86 C 2.637 0.366 -10.185 1.00 92.86 C 1.051 0.301 -12.189 1.00 92.86 C 3.448 -0.884 -10.547 1.00 92.86 C -0.014 3.387 -11.455 1.00 92.38 N 0.195 4.731 -11.985 1.00 92.38 C 0.057 5.835 -10.921 1.00 92.38 C 0.604 6.916 -11.122 1.00 92.38 O -0.792 4.972 -13.136 1.00 92.38 C -0.556 4.086 -14.374 1.00 92.38 C -1.058 2.645 -14.265 1.00 92.38 C -0.718 1.794 -15.207 1.00 92.38 N -1.764 2.246 -13.356 1.00 92.38 O -0.613 5.582 -9.787 1.00 93.79 N -0.693 6.527 -8.656 1.00 93.79 C 0.453 6.368 -7.657 1.00 93.79 C 0.442 7.022 -6.617 1.00 93.79 O -2.049 6.467 -7.926 1.00 93.79 C -3.208 6.817 -8.855 1.00 93.79 C -2.305 5.196 -7.386 1.00 93.79 O 1.452 5.523 -7.939 1.00 95.81 N 2.543 5.221 -7.011 1.00 95.81 C 3.263 6.465 -6.484 1.00 95.81 C 3.390 6.610 -5.273 1.00 95.81 O 3.546 4.278 -7.683 1.00 95.81 C 4.775 4.044 -6.838 1.00 95.81 C 5.966 4.731 -7.139 1.00 95.81 C 4.716 3.180 -5.728 1.00 95.81 C 7.100 4.556 -6.333 1.00 95.81 C 5.853 3.008 -4.921 1.00 95.81 C 7.033 3.706 -5.220 1.00 95.81 C 3.701 7.375 -7.360 1.00 94.47 N 4.448 8.580 -6.954 1.00 94.47 C 3.650 9.430 -5.966 1.00 94.47 C 4.172 9.848 -4.934 1.00 94.47 O 4.813 9.421 -8.187 1.00 94.47 C 5.713 10.609 -7.858 1.00 94.47 C 5.510 8.602 -9.098 1.00 94.47 O 2.358 9.601 -6.249 1.00 94.57 N 1.423 10.363 -5.431 1.00 94.57 C 1.201 9.710 -4.056 1.00 94.57 C 1.281 10.373 -3.023 1.00 94.57 O 0.131 10.465 -6.257 1.00 94.57 C -0.987 11.298 -5.626 1.00 94.57 C -0.563 12.759 -5.448 1.00 94.57 C -2.205 11.205 -6.554 1.00 94.57 C 0.973 8.393 -4.034 1.00 96.98 N 0.776 7.634 -2.796 1.00 96.98 C 2.051 7.563 -1.952 1.00 96.98 C 1.985 7.698 -0.734 1.00 96.98 O 0.273 6.222 -3.134 1.00 96.98 C -1.156 6.183 -3.703 1.00 96.98 C -1.531 4.741 -4.035 1.00 96.98 C -2.182 6.753 -2.723 1.00 96.98 C 3.216 7.412 -2.589 1.00 96.87 N 4.516 7.424 -1.916 1.00 96.87 C 4.738 8.744 -1.185 1.00 96.87 C 5.100 8.720 -0.015 1.00 96.87 O 5.622 7.140 -2.943 1.00 96.87 C 7.014 7.089 -2.295 1.00 96.87 C 8.091 6.889 -3.365 1.00 96.87 C 9.482 6.857 -2.725 1.00 96.87 C 10.546 6.735 -3.755 1.00 96.87 N1+ 4.493 9.882 -1.838 1.00 95.46 N 4.631 11.196 -1.204 1.00 95.46 C 3.692 11.347 0.000 1.00 95.46 C 4.118 11.809 1.058 1.00 95.46 O 4.368 12.282 -2.253 1.00 95.46 C 4.550 13.703 -1.693 1.00 95.46 C 4.319 14.775 -2.753 1.00 95.46 C 4.302 16.036 -2.386 1.00 95.46 N 4.149 14.503 -3.927 1.00 95.46 O 2.436 10.920 -0.144 1.00 97.24 N 1.458 10.961 0.940 1.00 97.24 C 1.865 10.098 2.143 1.00 97.24 C 1.825 10.575 3.280 1.00 97.24 O 0.101 10.514 0.395 1.00 97.24 C -0.951 10.423 1.475 1.00 97.24 C -1.415 9.171 1.923 1.00 97.24 C -1.430 11.606 2.064 1.00 97.24 C -2.384 9.117 2.940 1.00 97.24 C -2.417 11.557 3.058 1.00 97.24 C -2.895 10.308 3.493 1.00 97.24 C -3.841 10.251 4.452 1.00 97.24 O 2.292 8.856 1.890 1.00 98.20 N 2.761 7.929 2.925 1.00 98.20 C 3.999 8.501 3.610 1.00 98.20 C 3.986 8.636 4.825 1.00 98.20 O 2.974 6.511 2.342 1.00 98.20 C 1.587 5.872 2.090 1.00 98.20 C 3.809 5.607 3.271 1.00 98.20 C 1.620 4.606 1.228 1.00 98.20 C 5.013 8.951 2.866 1.00 96.93 N 6.226 9.527 3.454 1.00 96.93 C 5.961 10.752 4.347 1.00 96.93 C 6.719 10.991 5.283 1.00 96.93 O 7.199 9.910 2.329 1.00 96.93 C 7.930 8.435 1.559 1.00 96.93 S 4.917 11.537 4.070 1.00 97.16 N 4.569 12.699 4.886 1.00 97.16 C 3.826 12.324 6.184 1.00 97.16 C 3.995 12.981 7.215 1.00 97.16 O 3.746 13.653 4.012 1.00 97.16 C 2.998 11.276 6.154 1.00 98.07 N 2.007 11.028 7.205 1.00 98.07 C 2.204 9.715 7.967 1.00 98.07 C 1.800 9.638 9.126 1.00 98.07 O 0.609 11.123 6.584 1.00 98.07 C 0.333 12.518 6.068 1.00 98.07 C 0.293 12.696 4.770 1.00 98.07 N 0.197 13.465 6.821 1.00 98.07 O 2.859 8.724 7.369 1.00 98.60 N 2.919 7.346 7.844 1.00 98.60 C 4.357 6.797 7.842 1.00 98.60 C 5.238 7.363 7.190 1.00 98.60 O 1.995 6.489 6.967 1.00 98.60 C 0.536 6.873 7.064 1.00 98.60 C -0.221 6.437 8.164 1.00 98.60 C -0.056 7.704 6.096 1.00 98.60 C -1.553 6.852 8.311 1.00 98.60 C -1.389 8.120 6.249 1.00 98.60 C -2.136 7.704 7.360 1.00 98.60 C 4.617 5.707 8.584 1.00 98.38 N 5.902 5.019 8.544 1.00 98.38 C 6.304 4.576 7.127 1.00 98.38 C 5.444 4.267 6.299 1.00 98.38 O 5.746 3.819 9.475 1.00 98.38 C 4.692 4.294 10.471 1.00 98.38 C 3.754 5.095 9.583 1.00 98.38 C 7.609 4.535 6.812 1.00 97.56 N 8.068 4.037 5.524 1.00 97.56 C 7.798 2.531 5.389 1.00 97.56 C 7.898 1.775 6.350 1.00 97.56 O 9.562 4.364 5.483 1.00 97.56 C 9.969 4.306 6.957 1.00 97.56 C 8.735 4.838 7.684 1.00 97.56 C 7.514 2.083 4.167 1.00 97.92 N 7.311 0.669 3.865 1.00 97.92 C 7.166 0.408 2.364 1.00 97.92 C 6.916 1.346 1.597 1.00 97.92 O 7.335 -0.845 1.904 1.00 98.07 N 7.006 -1.239 0.540 1.00 98.07 C 5.540 -0.954 0.203 1.00 98.07 C 4.643 -1.228 0.999 1.00 98.07 O 7.270 -2.745 0.490 1.00 98.07 C 7.055 -3.187 1.930 1.00 98.07 C 7.708 -2.027 2.669 1.00 98.07 C 5.297 -0.468 -1.016 1.00 98.28 N 3.949 -0.215 -1.538 1.00 98.28 C 3.682 -1.169 -2.707 1.00 98.28 C 4.366 -1.140 -3.736 1.00 98.28 O 3.752 1.268 -1.926 1.00 98.28 C 4.154 2.248 -0.796 1.00 98.28 C 2.286 1.511 -2.319 1.00 98.28 C 4.193 3.717 -1.238 1.00 98.28 C 2.686 -2.030 -2.558 1.00 96.66 N 2.219 -2.979 -3.559 1.00 96.66 C 0.881 -2.495 -4.110 1.00 96.66 C -0.140 -2.543 -3.433 1.00 96.66 O 2.129 -4.380 -2.948 1.00 96.66 C 3.447 -4.900 -2.408 1.00 96.66 C 4.352 -5.557 -3.263 1.00 96.66 C 3.765 -4.739 -1.047 1.00 96.66 C 5.578 -6.033 -2.766 1.00 96.66 C 4.975 -5.244 -0.545 1.00 96.66 C 5.887 -5.881 -1.405 1.00 96.66 C 0.916 -2.004 -5.347 1.00 94.85 N -0.250 -1.498 -6.065 1.00 94.85 C -0.636 -2.445 -7.192 1.00 94.85 C 0.167 -3.269 -7.645 1.00 94.85 O 0.047 -0.097 -6.617 1.00 94.85 C 0.417 0.945 -5.555 1.00 94.85 C 0.577 2.307 -6.218 1.00 94.85 C -0.619 1.066 -4.439 1.00 94.85 C -1.855 -2.283 -7.698 1.00 87.39 N -2.355 -3.108 -8.785 1.00 87.39 C -1.697 -2.751 -10.117 1.00 87.39 C -1.750 -1.610 -10.580 1.00 87.39 O -3.879 -3.011 -8.819 1.00 87.39 C -4.440 -3.987 -9.854 1.00 87.39 C -5.930 -4.217 -9.617 1.00 87.39 C -6.508 -4.955 -10.828 1.00 87.39 C -7.993 -4.959 -10.798 1.00 87.39 N1+ -1.152 -3.764 -10.783 1.00 79.21 N -0.772 -3.680 -12.189 1.00 79.21 C -2.024 -3.859 -13.054 1.00 79.21 C -2.730 -4.863 -12.949 1.00 79.21 O 0.293 -4.732 -12.512 1.00 79.21 C 1.637 -4.441 -11.819 1.00 79.21 C 2.675 -5.521 -12.109 1.00 79.21 C 3.945 -5.260 -11.900 1.00 79.21 N 2.360 -6.624 -12.514 1.00 79.21 O -2.316 -2.872 -13.894 1.00 65.56 N -3.404 -2.935 -14.861 1.00 65.56 C -2.890 -2.782 -16.279 1.00 65.56 C -2.090 -1.893 -16.570 1.00 65.56 O -4.418 -1.831 -14.610 1.00 65.56 C -5.417 -2.117 -13.523 1.00 65.56 C -6.559 -2.885 -13.816 1.00 65.56 C -5.263 -1.509 -12.267 1.00 65.56 C -7.600 -2.960 -12.878 1.00 65.56 C -6.316 -1.546 -11.344 1.00 65.56 C -7.498 -2.242 -11.662 1.00 65.56 C -8.524 -2.255 -10.767 1.00 65.56 O -3.484 -3.575 -17.160 1.00 52.08 N -3.334 -3.523 -18.604 1.00 52.08 C -4.707 -3.411 -19.264 1.00 52.08 C -5.296 -4.376 -19.736 1.00 52.08 O -2.573 -4.759 -19.031 1.00 52.08 C -3.138 -5.965 -18.557 1.00 52.08 O -5.301 -2.219 -19.200 1.00 54.91 N -6.652 -1.992 -19.712 1.00 54.91 C -7.099 -0.534 -19.632 1.00 54.91 C -6.324 0.357 -19.278 1.00 54.91 O -8.363 -0.276 -19.982 1.00 58.27 N -8.954 1.064 -19.993 1.00 58.27 C -8.869 1.739 -18.607 1.00 58.27 C -9.182 1.132 -17.588 1.00 58.27 O -10.415 0.970 -20.479 1.00 58.27 C -10.543 0.342 -21.856 1.00 58.27 C -10.499 1.115 -22.916 1.00 58.27 N -10.657 -0.857 -21.997 1.00 58.27 O -8.516 3.030 -18.568 1.00 57.27 N -8.328 3.829 -17.341 1.00 57.27 C -9.441 3.653 -16.286 1.00 57.27 C -9.149 3.478 -15.108 1.00 57.27 O -8.213 5.298 -17.770 1.00 57.27 C -8.060 6.296 -16.639 1.00 57.27 C -9.177 7.011 -16.166 1.00 57.27 C -6.790 6.556 -16.097 1.00 57.27 C -9.021 7.984 -15.165 1.00 57.27 C -6.639 7.525 -15.089 1.00 57.27 C -7.749 8.244 -14.626 1.00 57.27 C -10.715 3.610 -16.696 1.00 53.54 N -11.820 3.395 -15.755 1.00 53.54 C -12.059 1.939 -15.366 1.00 53.54 C -12.388 1.707 -14.211 1.00 53.54 O -13.112 4.042 -16.260 1.00 53.54 C -13.125 5.528 -16.011 1.00 53.54 C -13.103 6.012 -14.688 1.00 53.54 C -13.139 6.430 -17.083 1.00 53.54 C -12.994 7.387 -14.437 1.00 53.54 C -13.081 7.805 -16.814 1.00 53.54 C -12.937 8.282 -15.508 1.00 53.54 C -11.851 0.942 -16.239 1.00 55.23 N -11.875 -0.459 -15.769 1.00 55.23 C -10.771 -0.702 -14.736 1.00 55.23 C -10.937 -1.496 -13.808 1.00 55.23 O -11.753 -1.463 -16.923 1.00 55.23 C -10.545 -1.333 -17.645 1.00 55.23 O -9.675 0.044 -14.893 1.00 55.65 N -8.524 0.112 -14.001 1.00 55.65 C -8.829 0.797 -12.666 1.00 55.65 C -8.406 0.335 -11.620 1.00 55.65 O -7.361 0.754 -14.767 1.00 55.65 C -6.154 1.162 -13.935 1.00 55.65 C -6.966 -0.119 -15.801 1.00 55.65 O -9.615 1.863 -12.631 1.00 57.26 N -9.981 2.474 -11.342 1.00 57.26 C -11.115 1.694 -10.648 1.00 57.26 C -11.184 1.683 -9.429 1.00 57.26 O -10.240 3.978 -11.550 1.00 57.26 C -8.895 4.656 -11.910 1.00 57.26 C -10.829 4.647 -10.297 1.00 57.26 C -9.062 6.046 -12.514 1.00 57.26 C -11.976 0.995 -11.402 1.00 54.96 N -13.284 0.535 -10.900 1.00 54.96 C -13.399 -0.961 -10.559 1.00 54.96 C -14.459 -1.388 -10.110 1.00 54.96 O -14.381 0.929 -11.907 1.00 54.96 C -14.476 2.444 -12.135 1.00 54.96 C -15.136 3.363 -10.729 1.00 54.96 S -14.621 5.039 -11.179 1.00 54.96 C -12.381 -1.801 -10.786 1.00 52.82 N -12.483 -3.235 -10.439 1.00 52.82 C -11.871 -3.553 -9.074 1.00 52.82 C -10.744 -4.050 -9.012 1.00 52.82 O -11.957 -4.183 -11.536 1.00 52.82 C -12.970 -4.432 -12.646 1.00 52.82 C -10.763 -3.764 -12.152 1.00 52.82 O -12.630 -3.402 -7.983 1.00 51.92 N -12.295 -4.066 -6.710 1.00 51.92 C -12.646 -5.559 -6.803 1.00 51.92 C -13.663 -5.959 -7.366 1.00 51.92 O -12.929 -3.393 -5.482 1.00 51.92 C -12.451 -4.076 -4.338 1.00 51.92 O -11.737 -6.427 -6.375 1.00 56.49 N -12.023 -7.850 -6.166 1.00 56.49 C -11.120 -8.311 -5.042 1.00 56.49 C -9.895 -8.272 -5.195 1.00 56.49 O -11.775 -8.702 -7.417 1.00 56.49 C -12.010 -10.079 -7.186 1.00 56.49 O -11.739 -8.758 -3.947 1.00 60.48 N -11.096 -9.257 -2.729 1.00 60.48 C -9.894 -10.168 -3.018 1.00 60.48 C -8.825 -10.041 -2.424 1.00 60.48 O -12.148 -10.079 -1.967 1.00 60.48 C -10.057 -11.057 -4.007 1.00 67.00 N -9.092 -12.100 -4.346 1.00 67.00 C -7.711 -11.566 -4.753 1.00 67.00 C -6.748 -12.329 -4.770 1.00 67.00 O -9.696 -12.983 -5.455 1.00 67.00 C -10.820 -13.873 -4.953 1.00 67.00 C -11.687 -14.332 -5.823 1.00 67.00 N -10.940 -14.175 -3.783 1.00 67.00 O -7.587 -10.276 -5.089 1.00 77.88 N -6.328 -9.706 -5.584 1.00 77.88 C -5.402 -9.187 -4.490 1.00 77.88 C -4.199 -9.196 -4.723 1.00 77.88 O -6.594 -8.636 -6.642 1.00 77.88 C -7.410 -9.210 -7.805 1.00 77.88 C -7.330 -8.285 -9.021 1.00 77.88 C -8.609 -8.257 -9.758 1.00 77.88 N -9.577 -7.381 -9.568 1.00 77.88 C -9.476 -6.446 -8.664 1.00 77.88 N1+ -10.648 -7.399 -10.306 1.00 77.88 N -5.919 -8.818 -3.310 1.00 88.85 N -5.080 -8.488 -2.141 1.00 88.85 C -4.417 -9.749 -1.562 1.00 88.85 C -3.297 -9.684 -1.071 1.00 88.85 O -5.900 -7.703 -1.085 1.00 88.85 C -6.186 -6.232 -1.478 1.00 88.85 C -6.992 -5.455 -0.405 1.00 88.85 C -7.120 -3.943 -0.708 1.00 88.85 C -8.074 -3.231 0.190 1.00 88.85 N1+ -5.050 -10.919 -1.720 1.00 91.51 N -4.578 -12.196 -1.154 1.00 91.51 C -3.163 -12.561 -1.627 1.00 91.51 C -2.335 -12.935 -0.806 1.00 91.51 O -5.574 -13.343 -1.462 1.00 91.51 C -6.979 -13.009 -0.905 1.00 91.51 C -5.068 -14.684 -0.888 1.00 91.51 C -8.045 -14.073 -1.195 1.00 91.51 C -2.859 -12.463 -2.927 1.00 91.55 N -1.557 -12.909 -3.452 1.00 91.55 C -0.373 -12.055 -2.960 1.00 91.55 C 0.569 -12.636 -2.422 1.00 91.55 O -1.582 -13.041 -4.987 1.00 91.55 C -2.337 -14.285 -5.465 1.00 91.55 C -1.693 -15.592 -5.010 1.00 91.55 C -2.478 -16.578 -4.640 1.00 91.55 N -0.488 -15.761 -4.971 1.00 91.55 O -0.391 -10.709 -3.071 1.00 94.40 N 0.663 -9.875 -2.497 1.00 94.40 C 0.852 -10.101 -0.995 1.00 94.40 C 1.986 -10.233 -0.543 1.00 94.40 O 0.260 -8.427 -2.791 1.00 94.40 C -0.615 -8.545 -4.034 1.00 94.40 C -1.319 -9.881 -3.828 1.00 94.40 C -0.243 -10.220 -0.235 1.00 97.67 N -0.184 -10.486 1.208 1.00 97.67 C 0.451 -11.852 1.476 1.00 97.67 C 1.384 -11.950 2.266 1.00 97.67 O -1.590 -10.373 1.833 1.00 97.67 C -2.099 -8.923 1.715 1.00 97.67 C -1.558 -10.794 3.311 1.00 97.67 C -3.569 -8.745 2.092 1.00 97.67 C 0.010 -12.902 0.782 1.00 96.52 N 0.572 -14.241 0.926 1.00 96.52 C 2.068 -14.289 0.579 1.00 96.52 C 2.806 -15.038 1.214 1.00 96.52 O -0.230 -15.207 0.047 1.00 96.52 C 2.528 -13.502 -0.398 1.00 95.70 N 3.951 -13.400 -0.726 1.00 95.70 C 4.745 -12.765 0.421 1.00 95.70 C 5.734 -13.348 0.847 1.00 95.70 O 4.128 -12.638 -2.046 1.00 95.70 C 3.622 -13.410 -3.253 1.00 95.70 C 3.471 -12.738 -4.370 1.00 95.70 N 3.385 -14.611 -3.232 1.00 95.70 O 4.260 -11.657 0.995 1.00 97.95 N 4.875 -11.046 2.186 1.00 97.95 C 4.931 -12.070 3.333 1.00 97.95 C 5.978 -12.282 3.933 1.00 97.95 O 4.108 -9.766 2.602 1.00 97.95 C 4.189 -8.674 1.509 1.00 97.95 C 4.647 -9.201 3.931 1.00 97.95 C 3.115 -7.589 1.669 1.00 97.95 C 3.832 -12.771 3.623 1.00 98.02 N 3.799 -13.753 4.715 1.00 98.02 C 4.778 -14.919 4.507 1.00 98.02 C 5.354 -15.404 5.483 1.00 98.02 O 2.367 -14.281 4.895 1.00 98.02 C 1.354 -13.217 5.348 1.00 98.02 C -0.031 -13.835 5.433 1.00 98.02 C 1.686 -12.621 6.708 1.00 98.02 C 4.989 -15.347 3.256 1.00 96.08 N 5.986 -16.368 2.890 1.00 96.08 C 7.420 -15.866 3.025 1.00 96.08 C 8.266 -16.646 3.448 1.00 96.08 O 5.762 -16.832 1.450 1.00 96.08 C 4.541 -17.745 1.301 1.00 96.08 C 4.260 -17.916 -0.192 1.00 96.08 C 2.988 -18.724 -0.428 1.00 96.08 C 2.675 -18.745 -1.876 1.00 96.08 N1+ 7.673 -14.599 2.704 1.00 95.77 N 8.990 -13.974 2.863 1.00 95.77 C 9.358 -13.808 4.354 1.00 95.77 C 10.531 -13.824 4.719 1.00 95.77 O 9.014 -12.613 2.139 1.00 95.77 C 8.872 -12.667 0.607 1.00 95.77 C 8.942 -13.755 -0.013 1.00 95.77 O 8.711 -11.574 0.013 1.00 95.77 O1- 8.359 -13.716 5.242 1.00 96.67 N 8.541 -13.486 6.680 1.00 96.67 C 7.898 -14.578 7.566 1.00 96.67 C 7.053 -14.273 8.417 1.00 96.67 O 8.022 -12.082 7.009 1.00 96.67 C 8.775 -10.957 6.334 1.00 96.67 C 10.003 -10.529 6.855 1.00 96.67 C 8.260 -10.329 5.190 1.00 96.67 C 10.732 -9.511 6.220 1.00 96.67 C 8.992 -9.329 4.537 1.00 96.67 C 10.233 -8.920 5.048 1.00 96.67 C 8.305 -15.860 7.457 1.00 95.09 N 7.600 -16.988 8.081 1.00 95.09 C 7.637 -16.989 9.621 1.00 95.09 C 6.822 -17.648 10.272 1.00 95.09 O 8.278 -18.235 7.501 1.00 95.09 C 9.696 -17.764 7.176 1.00 95.09 C 9.470 -16.327 6.716 1.00 95.09 C 8.592 -16.274 10.233 1.00 94.80 N 8.726 -16.142 11.697 1.00 94.80 C 8.164 -14.828 12.243 1.00 94.80 C 8.055 -14.687 13.462 1.00 94.80 O 10.191 -16.325 12.119 1.00 94.80 C 10.794 -17.685 11.741 1.00 94.80 C 10.113 -18.899 12.385 1.00 94.80 C 10.929 -20.140 11.997 1.00 94.80 C 10.351 -21.401 12.521 1.00 94.80 N1+ 7.763 -13.905 11.370 1.00 96.22 N 7.144 -12.635 11.744 1.00 96.22 C 5.644 -12.815 11.941 1.00 96.22 C 5.020 -13.695 11.339 1.00 96.22 O 7.474 -11.592 10.671 1.00 96.22 C 7.450 -10.156 11.197 1.00 96.22 C 7.856 -9.180 10.090 1.00 96.22 C 8.134 -7.782 10.640 1.00 96.22 C 9.445 -7.693 11.317 1.00 96.22 N1+ 5.063 -11.998 12.814 1.00 97.03 N 3.613 -11.929 13.008 1.00 97.03 C 3.071 -10.639 12.422 1.00 97.03 C 3.790 -9.650 12.375 1.00 97.03 O 3.247 -12.045 14.485 1.00 97.03 C 3.830 -13.243 15.229 1.00 97.03 C 3.340 -14.573 14.659 1.00 97.03 C 3.987 -15.699 15.466 1.00 97.03 C 3.799 -17.014 14.822 1.00 97.03 N1+ 1.815 -10.646 12.006 1.00 98.44 N 1.223 -9.563 11.249 1.00 98.44 C -0.112 -9.108 11.822 1.00 98.44 C -0.943 -9.917 12.237 1.00 98.44 O 1.132 -9.946 9.772 1.00 98.44 C 2.490 -9.971 9.099 1.00 98.44 C 3.012 -8.789 8.542 1.00 98.44 C 3.245 -11.158 9.042 1.00 98.44 C 4.238 -8.810 7.859 1.00 98.44 C 4.477 -11.179 8.365 1.00 98.44 C 4.965 -10.008 7.758 1.00 98.44 C -0.300 -7.795 11.808 1.00 98.58 N -1.590 -7.125 11.948 1.00 98.58 C -2.062 -6.762 10.538 1.00 98.58 C -1.281 -6.231 9.749 1.00 98.58 O -1.439 -5.891 12.865 1.00 98.58 C -1.037 -6.333 14.294 1.00 98.58 C -2.739 -5.071 12.880 1.00 98.58 C -0.687 -5.176 15.238 1.00 98.58 C -3.319 -7.055 10.211 1.00 98.70 N -3.935 -6.702 8.932 1.00 98.70 C -4.926 -5.560 9.155 1.00 98.70 C -5.777 -5.657 10.038 1.00 98.70 O -4.610 -7.937 8.305 1.00 98.70 C -3.701 -9.171 8.143 1.00 98.70 C -4.476 -10.315 7.485 1.00 98.70 C -2.464 -8.894 7.288 1.00 98.70 C -4.820 -4.486 8.373 1.00 98.73 N -5.709 -3.320 8.479 1.00 98.73 C -6.318 -3.010 7.120 1.00 98.73 C -5.599 -2.912 6.129 1.00 98.73 O -4.997 -2.081 9.054 1.00 98.73 C -6.021 -0.994 9.414 1.00 98.73 C -4.211 -2.406 10.330 1.00 98.73 C -7.635 -2.859 7.071 1.00 97.97 N -8.379 -2.518 5.856 1.00 97.97 C -9.653 -1.762 6.181 1.00 97.97 C -9.822 -1.310 7.316 1.00 97.97 O -10.560 -1.663 5.219 1.00 96.58 N -11.802 -0.907 5.347 1.00 96.58 C -13.061 -1.743 5.044 1.00 96.58 C -13.010 -2.885 4.579 1.00 96.58 O -11.715 0.350 4.469 1.00 96.58 C -11.922 0.014 2.993 1.00 96.58 C -12.964 0.471 2.477 1.00 96.58 O -11.168 -0.812 2.447 1.00 96.58 O1- -14.225 -1.179 5.365 1.00 95.54 N -15.541 -1.758 5.077 1.00 95.54 C -16.095 -1.376 3.696 1.00 95.54 C -17.156 -1.845 3.297 1.00 95.54 O -16.518 -1.355 6.184 1.00 95.54 C -16.585 0.050 6.283 1.00 95.54 O -15.434 -0.514 2.936 1.00 91.93 N -15.850 -0.144 1.584 1.00 91.93 C -15.492 -1.207 0.554 1.00 91.93 C -16.204 -1.374 -0.440 1.00 91.93 O -14.433 -1.969 0.817 1.00 90.92 N -13.997 -3.094 0.000 1.00 90.92 C -14.269 -4.466 0.664 1.00 90.92 C -14.981 -4.621 1.662 1.00 90.92 O -12.526 -2.877 -0.420 1.00 90.92 C -12.338 -1.624 -1.306 1.00 90.92 C -11.071 -1.664 -2.182 1.00 90.92 C -10.591 -0.606 -2.634 1.00 90.92 O -10.686 -2.779 -2.638 1.00 90.92 O1- -13.738 -5.527 0.055 1.00 91.36 N -13.853 -6.907 0.538 1.00 91.36 C -12.620 -7.342 1.347 1.00 91.36 C -12.100 -8.454 1.193 1.00 91.36 O -14.168 -7.830 -0.633 1.00 91.36 C -15.556 -7.687 -1.185 1.00 91.36 C -15.907 -7.232 -2.426 1.00 91.36 C -16.710 -8.063 -0.542 1.00 91.36 N -17.739 -7.833 -1.376 1.00 91.36 C -17.292 -7.359 -2.552 1.00 91.36 N -12.124 -6.440 2.189 1.00 95.66 N -10.906 -6.647 2.970 1.00 95.66 C -11.105 -7.690 4.058 1.00 95.66 C -10.255 -8.564 4.237 1.00 95.66 O -10.451 -5.303 3.542 1.00 95.66 C -9.750 -4.472 2.472 1.00 95.66 C -9.808 -4.856 1.276 1.00 95.66 O -9.002 -3.550 2.840 1.00 95.66 O1- -12.279 -7.690 4.699 1.00 96.29 N -12.667 -8.725 5.655 1.00 96.29 C -12.486 -10.129 5.059 1.00 96.29 C -11.861 -10.990 5.681 1.00 96.29 O -14.126 -8.496 6.093 1.00 96.29 C -14.638 -9.592 7.050 1.00 96.29 C -13.957 -9.518 8.417 1.00 96.29 C -16.148 -9.493 7.232 1.00 96.29 C -13.012 -10.381 3.858 1.00 94.70 N -12.928 -11.690 3.207 1.00 94.70 C -11.492 -12.062 2.830 1.00 94.70 C -11.072 -13.209 3.030 1.00 94.70 O -13.777 -11.723 1.929 1.00 94.70 C -15.284 -11.706 2.180 1.00 94.70 C -15.875 -10.334 2.511 1.00 94.70 C -17.081 -10.315 2.810 1.00 94.70 O -15.206 -9.281 2.426 1.00 94.70 O1- -10.733 -11.102 2.295 1.00 94.65 N -9.341 -11.306 1.913 1.00 94.65 C -8.471 -11.639 3.136 1.00 94.65 C -7.680 -12.587 3.097 1.00 94.65 O -8.851 -10.053 1.177 1.00 94.65 C -8.664 -10.926 4.247 1.00 97.45 N -7.918 -11.126 5.488 1.00 97.45 C -8.354 -12.384 6.230 1.00 97.45 C -7.498 -13.120 6.710 1.00 97.45 O -8.050 -9.880 6.367 1.00 97.45 C -7.513 -8.594 5.765 1.00 97.45 C -6.579 -8.593 4.704 1.00 97.45 C -7.971 -7.367 6.278 1.00 97.45 C -6.134 -7.377 4.163 1.00 97.45 C -7.492 -6.154 5.758 1.00 97.45 C -6.573 -6.153 4.691 1.00 97.45 C -6.089 -5.010 4.146 1.00 97.45 O -9.648 -12.711 6.229 1.00 95.58 N -10.145 -13.995 6.752 1.00 95.58 C -9.511 -15.160 5.991 1.00 95.58 C -8.997 -16.099 6.594 1.00 95.58 O -11.674 -14.091 6.639 1.00 95.58 C -12.229 -15.382 7.239 1.00 95.58 C -12.297 -13.035 7.331 1.00 95.58 O -9.487 -15.093 4.656 1.00 94.96 N -8.866 -16.134 3.820 1.00 94.96 C -7.365 -16.238 4.078 1.00 94.96 C -6.827 -17.338 4.190 1.00 94.96 O -9.120 -15.867 2.331 1.00 94.96 C -8.577 -16.990 1.445 1.00 94.96 C -10.508 -15.783 2.098 1.00 94.96 O -6.692 -15.099 4.226 1.00 96.13 N -5.268 -15.041 4.570 1.00 96.13 C -4.991 -15.675 5.933 1.00 96.13 C -4.101 -16.513 6.047 1.00 96.13 O -4.791 -13.588 4.560 1.00 96.13 C -3.313 -13.478 4.902 1.00 96.13 C -4.978 -13.055 3.266 1.00 96.13 O -5.767 -15.337 6.962 1.00 96.75 N -5.613 -15.897 8.303 1.00 96.75 C -5.886 -17.408 8.337 1.00 96.75 C -5.176 -18.153 9.006 1.00 96.75 O -6.528 -15.117 9.247 1.00 96.75 C -6.828 -17.909 7.531 1.00 95.45 N -7.016 -19.351 7.344 1.00 95.45 C -5.788 -20.044 6.736 1.00 95.45 C -5.473 -21.169 7.118 1.00 95.45 O -8.245 -19.599 6.463 1.00 95.45 C -9.594 -19.348 7.153 1.00 95.45 C -10.686 -19.564 6.103 1.00 95.45 C -9.821 -20.313 8.316 1.00 95.45 C -5.098 -19.387 5.801 1.00 95.50 N -3.893 -19.922 5.158 1.00 95.50 C -2.649 -19.819 6.051 1.00 95.50 C -1.791 -20.700 6.007 1.00 95.50 O -3.662 -19.191 3.827 1.00 95.50 C -4.708 -19.575 2.771 1.00 95.50 C -4.541 -18.817 1.458 1.00 95.50 C -5.213 -19.242 0.411 1.00 95.50 N -3.815 -17.847 1.317 1.00 95.50 O -2.561 -18.776 6.880 1.00 96.78 N -1.410 -18.473 7.733 1.00 96.78 C -1.825 -18.270 9.208 1.00 96.78 C -1.507 -17.233 9.799 1.00 96.78 O -0.654 -17.272 7.144 1.00 96.78 C -0.179 -17.467 5.715 1.00 96.78 C 1.060 -18.081 5.454 1.00 96.78 C -0.971 -17.022 4.641 1.00 96.78 C 1.511 -18.229 4.131 1.00 96.78 C -0.532 -17.185 3.317 1.00 96.78 C 0.716 -17.780 3.063 1.00 96.78 C -2.486 -19.263 9.844 1.00 94.64 N -3.119 -19.140 11.170 1.00 94.64 C -2.179 -18.617 12.247 1.00 94.64 C -2.554 -17.843 13.118 1.00 94.64 O -3.551 -20.567 11.546 1.00 94.64 C -2.762 -21.480 10.614 1.00 94.64 C -2.631 -20.628 9.361 1.00 94.64 C -0.924 -19.052 12.190 1.00 93.83 N 0.043 -18.732 13.222 1.00 93.83 C 0.672 -17.354 13.025 1.00 93.83 C 1.331 -16.891 13.950 1.00 93.83 O 1.085 -19.860 13.277 1.00 93.83 C 0.466 -21.167 13.736 1.00 93.83 C 0.857 -22.280 13.163 1.00 93.83 N -0.360 -21.212 14.624 1.00 93.83 O 0.551 -16.717 11.858 1.00 96.66 N 1.192 -15.430 11.583 1.00 96.66 C 0.268 -14.239 11.837 1.00 96.66 C 0.791 -13.170 12.118 1.00 96.66 O 1.784 -15.404 10.166 1.00 96.66 C 3.019 -16.313 10.051 1.00 96.66 C 3.554 -16.354 8.627 1.00 96.66 C 4.391 -15.428 8.222 1.00 96.66 N 3.204 -17.235 7.863 1.00 96.66 O -1.058 -14.391 11.802 1.00 97.46 N -1.984 -13.255 11.932 1.00 97.46 C -2.398 -13.034 13.393 1.00 97.46 C -3.036 -13.890 14.000 1.00 97.46 O -3.197 -13.425 10.992 1.00 97.46 C -2.797 -13.742 9.531 1.00 97.46 C -4.062 -12.153 11.021 1.00 97.46 C -1.744 -12.814 8.906 1.00 97.46 C -2.046 -11.874 13.959 1.00 96.10 N -2.411 -11.485 15.330 1.00 96.10 C -3.777 -10.817 15.404 1.00 96.10 C -4.554 -11.092 16.316 1.00 96.10 O -1.378 -10.504 15.913 1.00 96.10 C 0.028 -11.076 16.051 1.00 96.10 C 0.961 -10.028 16.647 1.00 96.10 C 0.100 -12.322 16.941 1.00 96.10 C -4.044 -9.910 14.468 1.00 97.35 N -5.250 -9.104 14.476 1.00 97.35 C -5.653 -8.686 13.061 1.00 97.35 C -4.804 -8.518 12.181 1.00 97.35 O -5.039 -7.883 15.379 1.00 97.35 C -6.956 -8.506 12.880 1.00 97.96 N -7.612 -7.964 11.700 1.00 97.96 C -8.451 -6.772 12.165 1.00 97.96 C -9.411 -6.940 12.921 1.00 97.96 O -8.474 -9.042 11.002 1.00 97.96 C -7.616 -10.252 10.559 1.00 97.96 C -9.181 -8.409 9.791 1.00 97.96 C -8.427 -11.428 9.999 1.00 97.96 C -8.096 -5.578 11.700 1.00 98.59 N -8.806 -4.338 11.995 1.00 98.59 C -9.484 -3.809 10.735 1.00 98.59 C -8.813 -3.537 9.740 1.00 98.59 O -7.841 -3.310 12.597 1.00 98.59 C -7.168 -3.753 13.878 1.00 98.59 C -7.956 -4.150 14.968 1.00 98.59 C -5.767 -3.763 13.986 1.00 98.59 C -7.353 -4.586 16.161 1.00 98.59 C -5.158 -4.178 15.184 1.00 98.59 C -5.947 -4.596 16.270 1.00 98.59 C -5.329 -5.034 17.393 1.00 98.59 O -10.806 -3.647 10.781 1.00 98.22 N -11.598 -3.140 9.656 1.00 98.22 C -12.149 -1.758 10.004 1.00 98.22 C -12.987 -1.610 10.894 1.00 98.22 O -12.707 -4.135 9.256 1.00 98.22 C -12.181 -5.558 8.955 1.00 98.22 C -13.474 -3.590 8.038 1.00 98.22 C -11.169 -5.667 7.803 1.00 98.22 C -11.673 -0.732 9.302 1.00 97.73 N -12.148 0.637 9.462 1.00 97.73 C -13.549 0.769 8.872 1.00 97.73 C -13.747 0.497 7.691 1.00 97.73 O -11.161 1.606 8.797 1.00 97.73 C -11.568 3.048 9.106 1.00 97.73 C -10.618 4.058 8.461 1.00 97.73 C -11.237 5.393 8.480 1.00 97.73 N -12.109 5.857 7.602 1.00 97.73 C -12.409 5.241 6.498 1.00 97.73 N1+ -12.714 6.988 7.827 1.00 97.73 N -14.498 1.252 9.664 1.00 96.07 N -15.816 1.633 9.180 1.00 96.07 C -15.710 2.932 8.365 1.00 96.07 C -15.373 3.993 8.900 1.00 96.07 O -16.778 1.739 10.367 1.00 96.07 C -18.447 2.067 9.735 1.00 96.07 S -15.951 2.850 7.057 1.00 93.08 N -16.027 4.009 6.172 1.00 93.08 C -17.485 4.404 5.885 1.00 93.08 C -18.415 3.619 6.068 1.00 93.08 O -15.163 3.761 4.923 1.00 93.08 C -15.878 2.492 3.860 1.00 93.08 S -17.704 5.640 5.441 1.00 89.95 N -19.054 6.143 5.171 1.00 89.95 C -19.737 5.387 4.026 1.00 89.95 C -19.100 5.017 3.037 1.00 89.95 O -19.010 7.637 4.842 1.00 89.95 C -18.303 8.347 5.845 1.00 89.95 O -21.053 5.221 4.133 1.00 90.82 N -21.938 4.574 3.163 1.00 90.82 C -21.596 3.100 2.886 1.00 90.82 C -21.910 2.580 1.806 1.00 90.82 O -22.039 5.410 1.870 1.00 90.82 C -22.566 6.819 2.043 1.00 90.82 C -22.760 7.516 0.950 1.00 90.82 N -22.830 7.326 3.115 1.00 90.82 O -20.954 2.417 3.831 1.00 93.02 N -20.391 1.081 3.603 1.00 93.02 C -21.130 -0.043 4.321 1.00 93.02 C -21.177 -1.158 3.796 1.00 93.02 O -18.925 1.085 3.999 1.00 93.02 C -18.798 1.149 5.400 1.00 93.02 O -21.734 0.232 5.481 1.00 94.24 N -22.325 -0.784 6.352 1.00 94.24 C -23.850 -0.759 6.380 1.00 94.24 C -24.453 -1.797 6.638 1.00 94.24 O -21.730 -0.717 7.765 1.00 94.24 C -20.217 -0.970 7.780 1.00 94.24 C -19.519 -1.323 9.419 1.00 94.24 S -19.980 -3.063 9.609 1.00 94.24 C -24.463 0.378 6.055 1.00 93.21 N -25.908 0.587 6.078 1.00 93.21 C -26.440 1.180 4.770 1.00 93.21 C -25.766 1.948 4.072 1.00 93.21 O -26.247 1.498 7.258 1.00 93.21 C -27.635 1.741 7.297 1.00 93.21 O -27.682 0.832 4.427 1.00 90.19 N -28.464 1.511 3.387 1.00 90.19 C -28.824 2.956 3.782 1.00 90.19 C -29.081 3.796 2.915 1.00 90.19 O -29.737 0.700 3.083 1.00 90.19 C -29.473 -0.598 2.306 1.00 90.19 C -28.508 -0.635 1.506 1.00 90.19 O -30.287 -1.544 2.442 1.00 90.19 O1- -28.802 3.271 5.082 1.00 88.56 N -28.984 4.619 5.620 1.00 88.56 C -27.639 5.129 6.157 1.00 88.56 C -27.219 4.695 7.226 1.00 88.56 O -30.063 4.644 6.714 1.00 88.56 C -30.312 6.097 7.150 1.00 88.56 C -31.403 4.071 6.240 1.00 88.56 C -26.988 6.113 5.507 1.00 81.82 N -25.641 6.580 5.867 1.00 81.82 C -25.395 6.906 7.348 1.00 81.82 C -24.284 6.764 7.842 1.00 81.82 O -25.455 7.843 5.026 1.00 81.82 C -26.204 7.506 3.740 1.00 81.82 C -27.417 6.741 4.262 1.00 81.82 C -26.419 7.346 8.084 1.00 87.51 N -26.296 7.671 9.510 1.00 87.51 C -26.219 6.454 10.439 1.00 87.51 C -25.959 6.639 11.622 1.00 87.51 O -27.459 8.570 9.932 1.00 87.51 C -28.699 7.907 9.747 1.00 87.51 O -26.482 5.239 9.947 1.00 92.29 N -26.528 4.018 10.760 1.00 92.29 C -25.268 3.149 10.612 1.00 92.29 C -25.182 2.111 11.262 1.00 92.29 O -27.808 3.221 10.462 1.00 92.29 C -29.092 3.939 10.793 1.00 92.29 C -29.913 3.729 11.869 1.00 92.29 C -29.700 4.881 10.006 1.00 92.29 N -30.862 5.227 10.579 1.00 92.29 C -31.034 4.562 11.725 1.00 92.29 N -24.265 3.559 9.822 1.00 93.52 N -23.014 2.798 9.659 1.00 93.52 C -22.342 2.487 11.016 1.00 93.52 C -21.921 1.356 11.263 1.00 93.52 O -22.028 3.577 8.764 1.00 93.52 C -22.347 3.565 7.262 1.00 93.52 C -22.814 2.528 6.739 1.00 93.52 O -22.035 4.568 6.583 1.00 93.52 O1- -22.299 3.460 11.936 1.00 93.82 N -21.741 3.264 13.284 1.00 93.82 C -22.587 2.325 14.155 1.00 93.82 C -22.043 1.549 14.941 1.00 93.82 O -21.601 4.604 14.020 1.00 93.82 C -20.538 5.527 13.408 1.00 93.82 C -20.217 6.740 14.299 1.00 93.82 C -19.194 7.398 14.005 1.00 93.82 O -20.959 6.990 15.277 1.00 93.82 O1- -23.915 2.360 14.022 1.00 94.72 N -24.807 1.462 14.761 1.00 94.72 C -24.600 0.010 14.319 1.00 94.72 C -24.412 -0.873 15.158 1.00 94.72 O -26.265 1.912 14.588 1.00 94.72 C -27.224 1.062 15.440 1.00 94.72 C -28.687 1.528 15.373 1.00 94.72 C -29.551 0.793 15.904 1.00 94.72 O -28.940 2.632 14.842 1.00 94.72 O1- -24.536 -0.221 13.004 1.00 95.80 N -24.260 -1.542 12.426 1.00 95.80 C -22.874 -2.033 12.842 1.00 95.80 C -22.730 -3.187 13.243 1.00 95.80 O -24.382 -1.502 10.891 1.00 95.80 C -24.080 -2.870 10.262 1.00 95.80 C -25.798 -1.112 10.454 1.00 95.80 C -21.859 -1.165 12.809 1.00 96.49 N -20.509 -1.483 13.283 1.00 96.49 C -20.518 -1.949 14.748 1.00 96.49 C -19.918 -2.974 15.079 1.00 96.49 O -19.630 -0.237 13.127 1.00 96.49 C -18.175 -0.503 13.517 1.00 96.49 C -17.179 0.978 13.815 1.00 96.49 S -17.994 1.643 15.297 1.00 96.49 C -21.222 -1.228 15.623 1.00 96.36 N -21.343 -1.585 17.035 1.00 96.36 C -22.084 -2.917 17.226 1.00 96.36 C -21.667 -3.742 18.038 1.00 96.36 O -22.043 -0.435 17.778 1.00 96.36 C -21.160 0.791 17.929 1.00 96.36 C -21.730 1.972 17.913 1.00 96.36 N -19.956 0.704 18.103 1.00 96.36 O -23.153 -3.171 16.467 1.00 95.42 N -23.866 -4.452 16.500 1.00 95.42 C -22.964 -5.618 16.072 1.00 95.42 C -22.921 -6.658 16.730 1.00 95.42 O -25.124 -4.370 15.622 1.00 95.42 C -26.028 -5.593 15.851 1.00 95.42 C -27.299 -5.596 14.994 1.00 95.42 C -28.004 -6.637 14.987 1.00 95.42 O -27.558 -4.643 14.230 1.00 95.42 O1- -22.188 -5.429 15.007 1.00 95.90 N -21.224 -6.409 14.505 1.00 95.90 C -20.111 -6.684 15.525 1.00 95.90 C -19.792 -7.847 15.775 1.00 95.90 O -20.683 -5.906 13.158 1.00 95.90 C -19.451 -6.669 12.705 1.00 95.90 C -21.739 -6.072 12.052 1.00 95.90 C -19.560 -5.653 16.170 1.00 96.68 N -18.584 -5.826 17.250 1.00 96.68 C -19.180 -6.580 18.448 1.00 96.68 C -18.544 -7.496 18.969 1.00 96.68 O -18.030 -4.455 17.665 1.00 96.68 C -16.930 -3.945 16.751 1.00 96.68 C -16.728 -2.650 16.739 1.00 96.68 N -16.217 -4.688 16.087 1.00 96.68 O -20.429 -6.290 18.828 1.00 95.33 N -21.127 -7.044 19.874 1.00 95.33 C -21.258 -8.535 19.516 1.00 95.33 C -21.092 -9.400 20.378 1.00 95.33 O -22.516 -6.428 20.116 1.00 95.33 C -22.472 -5.100 20.844 1.00 95.33 C -23.352 -4.184 20.521 1.00 95.33 N -21.707 -4.886 21.763 1.00 95.33 O -21.533 -8.859 18.247 1.00 93.28 N -21.570 -10.246 17.763 1.00 93.28 C -20.191 -10.907 17.910 1.00 93.28 C -20.115 -12.033 18.408 1.00 93.28 O -22.095 -10.301 16.309 1.00 93.28 C -23.592 -9.918 16.250 1.00 93.28 C -21.901 -11.696 15.694 1.00 93.28 C -24.102 -9.625 14.831 1.00 93.28 C -19.112 -10.217 17.523 1.00 93.37 N -17.738 -10.725 17.652 1.00 93.37 C -17.410 -11.032 19.119 1.00 93.37 C -16.983 -12.145 19.439 1.00 93.37 O -16.721 -9.736 17.031 1.00 93.37 C -16.903 -9.614 15.500 1.00 93.37 C -15.293 -10.221 17.332 1.00 93.37 C -16.247 -8.370 14.888 1.00 93.37 C -17.670 -10.089 20.026 1.00 89.87 N -17.397 -10.259 21.456 1.00 89.87 C -18.182 -11.420 22.078 1.00 89.87 C -17.644 -12.180 22.889 1.00 89.87 O -17.772 -8.987 22.220 1.00 89.87 C -16.805 -7.818 22.002 1.00 89.87 C -17.149 -6.624 22.909 1.00 89.87 C -16.546 -5.552 22.696 1.00 89.87 O -17.945 -6.816 23.866 1.00 89.87 O1- -19.458 -11.584 21.710 1.00 87.55 N -20.302 -12.661 22.232 1.00 87.55 C -19.801 -14.053 21.826 1.00 87.55 C -19.988 -14.996 22.595 1.00 87.55 O -21.754 -12.453 21.765 1.00 87.55 C -22.516 -11.348 22.519 1.00 87.55 C -23.866 -11.115 21.838 1.00 87.55 C -22.786 -11.722 23.982 1.00 87.55 C -19.169 -14.182 20.657 1.00 78.65 N -18.638 -15.454 20.154 1.00 78.65 C -17.218 -15.754 20.656 1.00 78.65 C -16.876 -16.919 20.838 1.00 78.65 O -18.677 -15.455 18.618 1.00 78.65 C -20.101 -15.384 18.042 1.00 78.65 C -20.982 -16.575 18.402 1.00 78.65 C -22.274 -16.367 18.527 1.00 78.65 N -20.561 -17.709 18.562 1.00 78.65 O -16.398 -14.727 20.911 1.00 70.48 N -15.038 -14.902 21.443 1.00 70.48 C -14.998 -15.207 22.944 1.00 70.48 C -13.994 -15.721 23.442 1.00 70.48 O -14.198 -13.656 21.158 1.00 70.48 C -13.801 -13.543 19.681 1.00 70.48 C -12.901 -12.339 19.431 1.00 70.48 C -12.511 -12.086 18.204 1.00 70.48 N -12.523 -11.599 20.322 1.00 70.48 O -16.074 -14.931 23.695 1.00 58.90 N -16.171 -15.407 25.079 1.00 58.90 C -16.121 -16.935 25.060 1.00 58.90 C -17.016 -17.546 24.471 1.00 58.90 O -17.450 -14.897 25.757 1.00 58.90 C -17.304 -13.413 26.107 1.00 58.90 C -18.585 -12.855 26.729 1.00 58.90 C -18.494 -11.391 26.859 1.00 58.90 N -19.379 -10.581 27.405 1.00 58.90 C -20.441 -11.036 28.015 1.00 58.90 N1+ -19.218 -9.290 27.328 1.00 58.90 N -15.157 -17.580 25.753 1.00 46.95 N -15.260 -19.003 26.014 1.00 46.95 C -16.638 -19.199 26.620 1.00 46.95 C -16.970 -18.498 27.584 1.00 46.95 O -14.142 -19.357 27.009 1.00 46.95 C -13.183 -18.170 26.927 1.00 46.95 C -14.070 -16.998 26.520 1.00 46.95 C -17.454 -20.103 26.066 1.00 37.36 N -18.588 -20.604 26.825 1.00 37.36 C -17.975 -21.069 28.132 1.00 37.36 C -17.315 -22.107 28.178 1.00 37.36 O -19.315 -21.772 26.136 1.00 37.36 C -20.445 -21.308 25.217 1.00 37.36 C -21.682 -22.604 24.921 1.00 37.36 S -23.009 -21.589 24.220 1.00 37.36 C -18.124 -20.262 29.185 1.00 32.06 N -17.876 -20.719 30.522 1.00 32.06 C -18.812 -21.905 30.606 1.00 32.06 C -20.032 -21.747 30.718 1.00 32.06 O -18.188 -19.639 31.571 1.00 32.06 C -17.102 -18.554 31.648 1.00 32.06 C -17.379 -17.512 32.732 1.00 32.06 C -16.500 -16.551 32.916 1.00 32.06 N -18.375 -17.542 33.437 1.00 32.06 O -18.239 -23.104 30.494 1.00 33.26 N -18.830 -24.287 31.055 1.00 33.26 C -18.862 -23.987 32.540 1.00 33.26 C -18.051 -24.459 33.333 1.00 33.26 O -18.042 -25.562 30.724 1.00 33.26 C -18.189 -25.989 29.262 1.00 33.26 C -18.025 -27.785 29.046 1.00 33.26 S -19.670 -28.166 28.384 1.00 33.26 C -19.844 -23.177 32.935 1.00 33.56 N -20.484 -23.395 34.193 1.00 33.56 C -20.789 -24.881 34.121 1.00 33.56 C -21.636 -25.346 33.358 1.00 33.56 O -21.725 -22.504 34.423 1.00 33.56 C -21.391 -21.016 34.335 1.00 33.56 C -22.786 -22.745 33.526 1.00 33.56 O -20.080 -25.653 34.937 1.00 35.53 N -20.650 -26.848 35.536 1.00 35.53 C -21.826 -26.386 36.404 1.00 35.53 C -21.898 -26.682 37.588 1.00 35.53 O -19.580 -27.616 36.328 1.00 35.53 C -18.456 -28.196 35.455 1.00 35.53 C -17.431 -28.911 36.348 1.00 35.53 C -16.294 -29.501 35.506 1.00 35.53 C -15.239 -30.113 36.354 1.00 35.53 N1+ -22.755 -25.617 35.835 1.00 40.78 N -24.117 -25.664 36.262 1.00 40.78 C -24.515 -27.055 35.812 1.00 40.78 C -24.736 -27.352 34.642 1.00 40.78 O -24.957 -24.507 35.697 1.00 40.78 C -24.986 -24.438 34.289 1.00 40.78 O -24.517 -27.968 36.776 1.00 37.61 N -25.601 -28.926 36.867 1.00 37.61 C -26.847 -28.210 36.370 1.00 37.61 C -27.490 -27.473 37.124 1.00 37.61 O -25.819 -29.347 38.332 1.00 37.61 C -24.952 -30.532 38.730 1.00 37.61 C -25.512 -28.281 39.207 1.00 37.61 O -27.178 -28.407 35.096 1.00 37.33 N -28.541 -28.301 34.628 1.00 37.33 C -29.224 -29.423 35.395 1.00 37.33 C -29.458 -30.519 34.898 1.00 37.33 O -28.658 -28.404 33.091 1.00 37.33 C -30.121 -28.268 32.642 1.00 37.33 C -27.858 -27.292 32.399 1.00 37.33 C -29.547 -29.148 36.671 1.00 37.91 N -30.803 -29.611 37.222 1.00 37.91 C -31.748 -29.214 36.123 1.00 37.91 C -31.886 -28.023 35.843 1.00 37.91 O -31.181 -28.903 38.538 1.00 37.91 C -30.325 -29.359 39.726 1.00 37.91 C -30.756 -28.697 41.048 1.00 37.91 C -31.761 -29.484 41.798 1.00 37.91 N -32.273 -29.165 42.979 1.00 37.91 C -32.031 -28.017 43.549 1.00 37.91 N1+ -33.036 -30.003 43.624 1.00 37.91 N -32.292 -30.210 35.444 1.00 37.06 N -33.468 -30.050 34.624 1.00 37.06 C -34.477 -29.362 35.532 1.00 37.06 C -35.237 -30.006 36.256 1.00 37.06 O -33.970 -31.422 34.147 1.00 37.06 C -32.998 -32.088 33.175 1.00 37.06 C -34.120 -32.283 35.256 1.00 37.06 O -34.458 -28.029 35.561 1.00 40.29 N -35.626 -27.241 35.859 1.00 40.29 C -36.499 -27.588 34.681 1.00 40.29 C -36.441 -26.947 33.637 1.00 40.29 O -35.293 -25.743 35.970 1.00 40.29 C -34.762 -25.381 37.366 1.00 40.29 C -34.567 -23.862 37.501 1.00 40.29 C -34.576 -23.427 38.914 1.00 40.29 N -34.455 -22.182 39.349 1.00 40.29 C -34.220 -21.185 38.542 1.00 40.29 N1+ -34.573 -21.908 40.618 1.00 40.29 N -37.220 -28.707 34.831 1.00 40.40 N -38.456 -28.947 34.114 1.00 40.40 C -39.116 -27.583 34.136 1.00 40.40 C -39.387 -27.073 35.228 1.00 40.40 O -39.317 -29.981 34.864 1.00 40.40 C -38.742 -31.406 34.816 1.00 40.40 C -39.689 -32.379 35.533 1.00 40.40 C -39.257 -33.784 35.381 1.00 40.40 N -39.964 -34.858 35.698 1.00 40.40 C -41.147 -34.776 36.242 1.00 40.40 N1+ -39.490 -36.051 35.472 1.00 40.40 N -39.234 -26.941 32.971 1.00 43.70 N -40.127 -25.794 32.862 1.00 43.70 C -41.411 -26.272 33.538 1.00 43.70 C -41.849 -27.379 33.195 1.00 43.70 O -40.377 -25.419 31.394 1.00 43.70 C -39.224 -24.602 30.794 1.00 43.70 C -39.539 -24.245 29.334 1.00 43.70 C -38.591 -23.257 28.783 1.00 43.70 N -38.657 -22.699 27.583 1.00 43.70 C -39.571 -23.030 26.714 1.00 43.70 N1+ -37.797 -21.787 27.226 1.00 43.70 N -41.932 -25.568 34.558 1.00 50.51 N -43.249 -25.921 35.048 1.00 50.51 C -44.140 -26.020 33.804 1.00 50.51 C -43.976 -25.191 32.895 1.00 50.51 O -43.660 -24.819 36.026 1.00 50.51 C -42.758 -23.640 35.661 1.00 50.51 C -41.499 -24.289 35.091 1.00 50.51 C -44.955 -27.083 33.678 1.00 54.46 N -45.835 -27.207 32.529 1.00 54.46 C -46.577 -25.877 32.357 1.00 54.46 C -46.856 -25.219 33.369 1.00 54.46 O -46.768 -28.385 32.827 1.00 54.46 C -46.708 -28.521 34.349 1.00 54.46 C -45.291 -28.067 34.691 1.00 54.46 C -46.840 -25.445 31.108 1.00 58.24 N -47.620 -24.237 30.881 1.00 58.24 C -48.872 -24.303 31.762 1.00 58.24 C -49.398 -25.410 31.954 1.00 58.24 O -47.948 -24.216 29.384 1.00 58.24 C -47.789 -25.675 28.953 1.00 58.24 C -46.690 -26.196 29.874 1.00 58.24 C -49.317 -23.172 32.348 1.00 58.04 N -50.526 -23.179 33.154 1.00 58.04 C -51.611 -23.902 32.353 1.00 58.04 C -51.683 -23.696 31.134 1.00 58.04 O -50.876 -21.713 33.432 1.00 58.04 C -50.144 -20.953 32.326 1.00 58.04 C -48.904 -21.807 32.070 1.00 58.04 C -52.387 -24.801 32.987 1.00 55.81 N -53.443 -25.501 32.285 1.00 55.81 C -54.265 -24.452 31.549 1.00 55.81 C -54.698 -23.471 32.158 1.00 55.81 O -54.244 -26.256 33.354 1.00 55.81 C -53.894 -25.534 34.656 1.00 55.81 C -52.471 -25.039 34.417 1.00 55.81 C -54.416 -24.639 30.233 1.00 60.51 N -55.389 -23.895 29.436 1.00 60.51 C -56.662 -23.937 30.277 1.00 60.51 C -57.074 -25.055 30.616 1.00 60.51 O -55.609 -24.573 28.064 1.00 60.51 C -54.293 -24.611 27.253 1.00 60.51 C -56.712 -23.846 27.270 1.00 60.51 C -54.347 -25.551 26.042 1.00 60.51 C -57.221 -22.786 30.708 1.00 45.21 N -58.446 -22.799 31.478 1.00 45.21 C -59.401 -23.696 30.717 1.00 45.21 C -59.657 -23.455 29.535 1.00 45.21 O -58.932 -21.348 31.557 1.00 45.21 C -57.648 -20.544 31.362 1.00 45.21 C -56.792 -21.424 30.451 1.00 45.21 C -59.831 -24.786 31.360 1.00 48.63 N -60.926 -25.584 30.839 1.00 48.63 C -61.976 -24.569 30.439 1.00 48.63 C -62.407 -23.769 31.275 1.00 48.63 O -61.462 -26.523 31.923 1.00 48.63 C -62.726 -27.047 31.569 1.00 48.63 O -62.317 -24.528 29.155 1.00 48.67 N -63.500 -23.818 28.707 1.00 48.67 C -64.663 -24.592 29.312 1.00 48.67 C -65.284 -25.424 28.649 1.00 48.67 O -63.574 -23.744 27.174 1.00 48.67 C -62.464 -22.881 26.574 1.00 48.67 C -63.462 -25.039 26.626 1.00 48.67 O -64.908 -24.394 30.610 1.00 44.36 N -66.174 -24.723 31.215 1.00 44.36 C -67.165 -23.971 30.348 1.00 44.36 C -67.164 -22.740 30.298 1.00 44.36 O -66.242 -24.286 32.687 1.00 44.36 C -65.469 -25.237 33.617 1.00 44.36 C -65.616 -24.878 35.097 1.00 44.36 C -65.003 -25.621 35.992 1.00 44.36 N -66.280 -23.938 35.490 1.00 44.36 O -67.938 -24.729 29.566 1.00 53.54 N -69.128 -24.184 28.932 1.00 53.54 C -69.858 -23.448 30.055 1.00 53.54 C -70.029 -24.072 31.106 1.00 53.54 O -70.003 -25.307 28.368 1.00 53.54 C -69.339 -26.018 27.184 1.00 53.54 C -70.229 -27.169 26.705 1.00 53.54 C -69.573 -27.878 25.518 1.00 53.54 C -70.373 -29.049 25.083 1.00 53.54 N1+ -70.202 -22.161 29.895 1.00 65.20 N -70.898 -21.440 30.947 1.00 65.20 C -72.077 -22.299 31.403 1.00 65.20 C -72.842 -22.790 30.567 1.00 65.20 O -71.309 -20.093 30.338 1.00 65.20 C -71.156 -20.283 28.828 1.00 65.20 C -70.076 -21.351 28.698 1.00 65.20 C -72.161 -22.565 32.706 1.00 68.33 N -73.319 -23.226 33.293 1.00 68.33 C -74.497 -22.279 33.111 1.00 68.33 C -74.631 -21.299 33.841 1.00 68.33 O -73.072 -23.551 34.770 1.00 68.33 C -72.653 -22.393 35.462 1.00 68.33 O -75.281 -22.520 32.067 1.00 76.99 N -76.490 -21.764 31.782 1.00 76.99 C -77.485 -22.020 32.923 1.00 76.99 C -77.688 -23.173 33.302 1.00 76.99 O -77.024 -22.201 30.405 1.00 76.99 C -76.139 -21.728 29.230 1.00 76.99 C -76.171 -22.735 28.079 1.00 76.99 C -76.600 -20.381 28.679 1.00 76.99 C -78.078 -20.966 33.486 1.00 83.41 N -79.195 -21.106 34.436 1.00 83.41 C -80.406 -21.737 33.739 1.00 83.41 C -80.518 -21.647 32.516 1.00 83.41 O -79.591 -19.753 35.055 1.00 83.41 C -78.467 -19.142 35.892 1.00 83.41 C -79.930 -18.815 34.060 1.00 83.41 O -81.335 -22.336 34.497 1.00 84.58 N -82.566 -22.947 33.954 1.00 84.58 C -83.292 -21.987 32.977 1.00 84.58 C -83.645 -22.371 31.860 1.00 84.58 O -83.494 -23.352 35.119 1.00 84.58 C -84.460 -24.514 34.789 1.00 84.58 C -83.955 -25.923 35.171 1.00 84.58 C -84.463 -26.905 34.584 1.00 84.58 O -83.076 -26.024 36.059 1.00 84.58 O1- -83.374 -20.694 33.324 1.00 86.16 N -83.930 -19.622 32.476 1.00 86.16 C -83.150 -19.394 31.168 1.00 86.16 C -83.732 -19.155 30.103 1.00 86.16 O -83.919 -18.295 33.252 1.00 86.16 C -84.995 -18.199 34.341 1.00 86.16 C -85.019 -16.810 35.001 1.00 86.16 C -86.106 -16.413 35.475 1.00 86.16 O -83.947 -16.159 35.030 1.00 86.16 O1- -81.817 -19.472 31.207 1.00 80.65 N -80.984 -19.334 30.012 1.00 80.65 C -81.129 -20.549 29.083 1.00 80.65 C -81.159 -20.397 27.860 1.00 80.65 O -79.522 -19.121 30.402 1.00 80.65 C -79.245 -17.737 30.999 1.00 80.65 C -77.798 -17.605 31.463 1.00 80.65 C -77.178 -16.459 31.287 1.00 80.65 N -77.176 -18.524 31.968 1.00 80.65 O -81.280 -21.755 29.630 1.00 81.30 N -81.608 -22.945 28.831 1.00 81.30 C -83.000 -22.863 28.203 1.00 81.30 C -83.146 -23.196 27.022 1.00 81.30 O -81.469 -24.246 29.636 1.00 81.30 C -80.049 -24.796 29.517 1.00 81.30 C -81.679 -24.066 31.010 1.00 81.30 O -84.004 -22.368 28.936 1.00 79.09 N -85.375 -22.200 28.436 1.00 79.09 C -85.431 -21.162 27.299 1.00 79.09 C -86.024 -21.410 26.245 1.00 79.09 O -86.305 -21.796 29.597 1.00 79.09 C -87.763 -22.254 29.407 1.00 79.09 C -87.987 -23.737 29.756 1.00 79.09 C -88.622 -24.444 28.935 1.00 79.09 O -87.485 -24.178 30.807 1.00 79.09 O1- -84.733 -20.028 27.447 1.00 80.98 N -84.664 -18.982 26.412 1.00 80.98 C -83.943 -19.443 25.137 1.00 80.98 C -84.428 -19.186 24.029 1.00 80.98 O -84.035 -17.699 26.962 1.00 80.98 C -82.765 -17.952 27.510 1.00 80.98 O -82.848 -20.208 25.250 1.00 79.31 N -82.192 -20.838 24.090 1.00 79.31 C -83.148 -21.825 23.407 1.00 79.31 C -83.242 -21.830 22.176 1.00 79.31 O -80.863 -21.518 24.500 1.00 79.31 C -79.813 -20.445 24.866 1.00 79.31 C -80.311 -22.414 23.366 1.00 79.31 C -78.569 -21.009 25.563 1.00 79.31 C -83.889 -22.638 24.169 1.00 80.05 N -84.854 -23.603 23.618 1.00 80.05 C -85.994 -22.907 22.867 1.00 80.05 C -86.302 -23.304 21.743 1.00 80.05 O -85.367 -24.491 24.762 1.00 80.05 C -86.117 -25.724 24.248 1.00 80.05 C -86.600 -26.557 25.438 1.00 80.05 C -87.211 -27.829 25.006 1.00 80.05 N -87.752 -28.721 25.818 1.00 80.05 C -87.837 -28.523 27.105 1.00 80.05 N1+ -88.222 -29.842 25.342 1.00 80.05 N -86.550 -21.838 23.436 1.00 77.41 N -87.587 -21.008 22.808 1.00 77.41 C -87.078 -20.325 21.529 1.00 77.41 C -87.799 -20.273 20.536 1.00 77.41 O -88.089 -19.972 23.827 1.00 77.41 C -88.936 -20.613 24.936 1.00 77.41 C -90.667 -20.915 24.479 1.00 77.41 S -91.445 -19.529 25.359 1.00 77.41 C -85.812 -19.887 21.497 1.00 71.02 N -85.211 -19.261 20.305 1.00 71.02 C -85.026 -20.224 19.124 1.00 71.02 C -85.052 -19.809 17.964 1.00 71.02 O -83.870 -18.611 20.667 1.00 71.02 C -82.827 -19.567 20.758 1.00 71.02 O -84.854 -21.527 19.396 1.00 69.63 N -84.630 -22.549 18.359 1.00 69.63 C -85.930 -23.030 17.719 1.00 69.63 C -85.903 -23.413 16.553 1.00 69.63 O -83.803 -23.713 18.931 1.00 69.63 C -82.364 -23.263 19.237 1.00 69.63 C -81.533 -24.346 19.935 1.00 69.63 C -80.784 -25.184 18.976 1.00 69.63 N -79.690 -25.878 19.244 1.00 69.63 C -79.215 -25.973 20.455 1.00 69.63 N1+ -79.049 -26.497 18.293 1.00 69.63 N -87.064 -22.954 18.428 1.00 58.29 N -88.353 -23.489 17.951 1.00 58.29 C -88.930 -22.748 16.734 1.00 58.29 C -89.767 -23.312 16.047 1.00 58.29 O -89.341 -23.585 19.129 1.00 58.29 C -90.477 -24.583 18.842 1.00 58.29 C -91.379 -24.774 20.065 1.00 58.29 C -92.496 -25.688 19.759 1.00 58.29 N -93.485 -26.023 20.570 1.00 58.29 C -93.554 -25.578 21.795 1.00 58.29 N1+ -94.434 -26.815 20.158 1.00 58.29 N -88.430 -21.555 16.400 1.00 55.55 N -88.861 -20.819 15.202 1.00 55.55 C -88.025 -21.089 13.937 1.00 55.55 C -88.258 -20.440 12.919 1.00 55.55 O -88.977 -19.317 15.539 1.00 55.55 C -90.300 -18.963 16.195 1.00 55.55 C -90.466 -17.733 16.618 1.00 55.55 N -91.203 -19.765 16.341 1.00 55.55 O -87.045 -22.008 13.959 1.00 52.19 N -86.156 -22.218 12.799 1.00 52.19 C -86.471 -23.435 11.928 1.00 52.19 C -85.965 -23.491 10.807 1.00 52.19 O -84.683 -22.156 13.236 1.00 52.19 C -83.931 -21.147 12.356 1.00 52.19 C -82.469 -21.009 12.782 1.00 52.19 C -81.804 -19.918 11.937 1.00 52.19 C -80.410 -19.667 12.376 1.00 52.19 N1+ -87.323 -24.350 12.383 1.00 49.10 N -87.531 -25.625 11.683 1.00 49.10 C -88.657 -25.612 10.634 1.00 49.10 C -88.795 -26.584 9.898 1.00 49.10 O -87.617 -26.784 12.691 1.00 49.10 C -86.262 -27.089 13.355 1.00 49.10 C -85.206 -26.772 12.753 1.00 49.10 O -86.279 -27.615 14.490 1.00 49.10 O1- -89.388 -24.507 10.446 1.00 51.17 N -90.415 -24.441 9.387 1.00 51.17 C -89.936 -23.884 8.035 1.00 51.17 C -90.693 -23.935 7.074 1.00 51.17 O -91.701 -23.767 9.888 1.00 51.17 C -92.473 -24.705 10.834 1.00 51.17 C -93.938 -24.288 11.035 1.00 51.17 C -94.739 -25.184 11.386 1.00 51.17 O -94.241 -23.086 10.860 1.00 51.17 O1- -88.686 -23.419 7.881 1.00 51.27 N -88.283 -22.741 6.631 1.00 51.27 C -86.980 -23.202 5.954 1.00 51.27 C -86.454 -22.476 5.112 1.00 51.27 O -88.401 -21.212 6.828 1.00 51.27 C -89.775 -20.683 6.440 1.00 51.27 C -90.213 -19.603 7.039 1.00 51.27 N -90.446 -21.174 5.553 1.00 51.27 O -86.453 -24.403 6.226 1.00 42.65 N -85.173 -24.820 5.622 1.00 42.65 C -85.187 -26.147 4.844 1.00 42.65 C -84.201 -26.878 4.840 1.00 42.65 O -84.045 -24.675 6.655 1.00 42.65 C -82.712 -24.277 6.036 1.00 42.65 C -81.647 -24.439 6.783 1.00 42.65 N -82.583 -23.789 4.922 1.00 42.65 O -86.269 -26.433 4.112 1.00 45.44 N -86.350 -27.585 3.204 1.00 45.44 C -85.740 -27.354 1.796 1.00 45.44 C -85.996 -28.146 0.893 1.00 45.44 O -87.806 -28.070 3.154 1.00 45.44 C -84.949 -26.293 1.549 1.00 46.51 N -84.401 -26.004 0.197 1.00 46.51 C -82.970 -25.439 0.150 1.00 46.51 C -82.698 -24.532 -0.632 1.00 46.51 O -85.380 -25.133 -0.623 1.00 46.51 C -86.698 -25.834 -0.980 1.00 46.51 C -87.491 -25.014 -2.003 1.00 46.51 C -88.804 -25.734 -2.330 1.00 46.51 C -89.620 -24.968 -3.306 1.00 46.51 N1+ -82.017 -25.972 0.923 1.00 40.81 N -80.585 -25.679 0.687 1.00 40.81 C -79.865 -26.871 0.061 1.00 40.81 C -79.506 -27.824 0.741 1.00 40.81 O -79.902 -25.109 1.939 1.00 40.81 C -80.078 -23.580 1.979 1.00 40.81 C -79.311 -22.961 3.150 1.00 40.81 C -79.316 -21.487 3.075 1.00 40.81 N -78.616 -20.660 3.833 1.00 40.81 C -77.835 -21.095 4.783 1.00 40.81 N1+ -78.682 -19.372 3.645 1.00 40.81 N -79.673 -26.776 -1.255 1.00 49.25 N -78.793 -27.630 -2.063 1.00 49.25 C -77.352 -27.474 -1.564 1.00 49.25 C -76.890 -26.354 -1.342 1.00 49.25 O -78.921 -27.244 -3.555 1.00 49.25 C -77.985 -28.044 -4.465 1.00 49.25 C -80.360 -27.468 -4.050 1.00 49.25 C -76.667 -28.599 -1.347 1.00 54.57 N -75.294 -28.644 -0.853 1.00 54.57 C -74.299 -28.065 -1.885 1.00 54.57 C -74.457 -28.317 -3.082 1.00 54.57 O -74.956 -30.097 -0.493 1.00 54.57 C -73.280 -27.296 -1.454 1.00 46.85 N -72.287 -26.721 -2.359 1.00 46.85 C -71.353 -27.801 -2.944 1.00 46.85 C -71.112 -28.820 -2.291 1.00 46.85 O -71.539 -25.673 -1.531 1.00 46.85 C -71.653 -26.200 -0.101 1.00 46.85 C -73.005 -26.911 -0.079 1.00 46.85 C -70.821 -27.596 -4.165 1.00 51.29 N -69.992 -28.585 -4.848 1.00 51.29 C -68.628 -28.801 -4.157 1.00 51.29 C -68.106 -27.883 -3.518 1.00 51.29 O -69.846 -28.079 -6.288 1.00 51.29 C -70.009 -26.567 -6.150 1.00 51.29 C -71.007 -26.422 -5.004 1.00 51.29 C -68.036 -30.006 -4.285 1.00 53.54 N -66.795 -30.380 -3.607 1.00 53.54 C -65.564 -29.647 -4.168 1.00 53.54 C -65.427 -29.459 -5.376 1.00 53.54 O -66.695 -31.903 -3.754 1.00 53.54 C -67.467 -32.194 -5.040 1.00 53.54 C -68.563 -31.133 -5.041 1.00 53.54 C -64.653 -29.251 -3.272 1.00 53.37 N -63.406 -28.548 -3.600 1.00 53.37 C -62.379 -29.492 -4.275 1.00 53.37 C -62.257 -30.641 -3.845 1.00 53.37 O -62.824 -27.929 -2.313 1.00 53.37 C -63.589 -26.682 -1.823 1.00 53.37 C -63.362 -26.469 -0.327 1.00 53.37 C -63.123 -25.423 -2.559 1.00 53.37 C -61.607 -29.038 -5.288 1.00 49.24 N -60.624 -29.876 -5.984 1.00 49.24 C -59.443 -30.321 -5.103 1.00 49.24 C -58.897 -29.531 -4.332 1.00 49.24 O -60.125 -29.053 -7.180 1.00 49.24 C -61.198 -27.987 -7.376 1.00 49.24 C -61.732 -27.758 -5.967 1.00 49.24 C -59.000 -31.571 -5.289 1.00 45.62 N -57.850 -32.172 -4.602 1.00 45.62 C -56.536 -31.469 -4.990 1.00 45.62 C -56.056 -31.612 -6.115 1.00 45.62 O -57.789 -33.687 -4.936 1.00 45.62 C -58.182 -34.608 -3.794 1.00 45.62 C -58.195 -35.899 -4.029 1.00 45.62 N -58.451 -34.204 -2.679 1.00 45.62 O -55.924 -30.734 -4.056 1.00 42.85 N -54.607 -30.105 -4.242 1.00 42.85 C -53.508 -31.052 -3.748 1.00 42.85 C -53.443 -31.344 -2.558 1.00 42.85 O -54.604 -28.732 -3.543 1.00 42.85 C -53.334 -27.918 -3.838 1.00 42.85 C -53.355 -26.545 -3.149 1.00 42.85 C -54.270 -25.586 -3.807 1.00 42.85 N -54.694 -24.435 -3.308 1.00 42.85 C -54.394 -24.054 -2.097 1.00 42.85 N1+ -55.432 -23.634 -4.025 1.00 42.85 N -52.648 -31.517 -4.654 1.00 35.60 N -51.429 -32.260 -4.311 1.00 35.60 C -50.382 -31.297 -3.724 1.00 35.60 C -50.164 -30.214 -4.268 1.00 35.60 O -50.893 -32.999 -5.551 1.00 35.60 C -51.807 -34.161 -5.986 1.00 35.60 C -51.330 -34.866 -7.257 1.00 35.60 C -51.898 -36.001 -7.601 1.00 35.60 N -50.461 -34.413 -7.977 1.00 35.60 O -49.777 -31.667 -2.592 1.00 45.61 N -48.765 -30.866 -1.895 1.00 45.61 C -47.407 -30.980 -2.623 1.00 45.61 C -46.959 -32.106 -2.843 1.00 45.61 O -48.658 -31.338 -0.431 1.00 45.61 C -49.853 -30.921 0.450 1.00 45.61 C -49.892 -31.761 1.727 1.00 45.61 C -49.769 -29.446 0.855 1.00 45.61 C -46.750 -29.867 -3.008 1.00 40.92 N -45.451 -29.911 -3.680 1.00 40.92 C -44.328 -30.418 -2.764 1.00 40.92 C -44.321 -30.143 -1.564 1.00 40.92 O -45.165 -28.489 -4.175 1.00 40.92 C -46.525 -27.799 -4.134 1.00 40.92 C -47.240 -28.499 -2.983 1.00 40.92 C -43.374 -31.133 -3.363 1.00 44.29 N -42.184 -31.698 -2.724 1.00 44.29 C -41.296 -30.564 -2.165 1.00 44.29 C -40.898 -29.674 -2.913 1.00 44.29 O -41.474 -32.563 -3.794 1.00 44.29 C -40.753 -33.781 -3.249 1.00 44.29 C -40.143 -34.560 -4.111 1.00 44.29 N -40.772 -34.088 -2.072 1.00 44.29 O -41.059 -30.556 -0.851 1.00 43.55 N -40.422 -29.461 -0.108 1.00 43.55 C -38.898 -29.647 -0.040 1.00 43.55 C -38.426 -30.557 0.639 1.00 43.55 O -41.033 -29.414 1.312 1.00 43.55 C -42.363 -28.641 1.402 1.00 43.55 C -43.299 -29.272 2.437 1.00 43.55 C -42.116 -27.188 1.816 1.00 43.55 C -38.138 -28.748 -0.671 1.00 39.58 N -36.690 -28.637 -0.458 1.00 39.58 C -36.381 -27.953 0.886 1.00 39.58 C -36.952 -26.916 1.242 1.00 39.58 O -35.999 -27.910 -1.627 1.00 39.58 C -35.744 -28.801 -2.851 1.00 39.58 C -35.568 -30.025 -2.661 1.00 39.58 O -35.681 -28.233 -3.962 1.00 39.58 O1- -35.440 -28.539 1.629 1.00 48.46 N -35.145 -28.286 3.044 1.00 48.46 C -34.535 -26.906 3.396 1.00 48.46 C -34.081 -26.722 4.520 1.00 48.46 O -34.266 -29.446 3.537 1.00 48.46 C -34.553 -25.926 2.487 1.00 41.72 N -33.977 -24.590 2.713 1.00 41.72 C -35.007 -23.450 2.807 1.00 41.72 C -34.630 -22.281 2.760 1.00 41.72 O -32.851 -24.337 1.690 1.00 41.72 C -31.524 -24.955 2.101 1.00 41.72 C -30.581 -25.030 1.194 1.00 41.72 N -31.289 -25.354 3.227 1.00 41.72 O -36.298 -23.745 2.987 1.00 39.39 N -37.309 -22.691 3.191 1.00 39.39 C -37.590 -22.490 4.681 1.00 39.39 C -38.361 -23.230 5.291 1.00 39.39 O -38.588 -22.950 2.386 1.00 39.39 C -39.488 -21.713 2.363 1.00 39.39 C -38.260 -23.235 1.045 1.00 39.39 O -36.954 -21.479 5.275 1.00 42.03 N -37.252 -21.016 6.632 1.00 42.03 C -38.562 -20.208 6.651 1.00 42.03 C -38.768 -19.313 5.833 1.00 42.03 O -36.063 -20.215 7.198 1.00 42.03 C -35.376 -20.887 8.373 1.00 42.03 C -35.683 -20.490 9.690 1.00 42.03 C -34.427 -21.904 8.150 1.00 42.03 C -35.034 -21.098 10.782 1.00 42.03 C -33.781 -22.519 9.240 1.00 42.03 C -34.078 -22.113 10.557 1.00 42.03 C -33.446 -22.697 11.609 1.00 42.03 O -39.453 -20.530 7.593 1.00 36.78 N -40.745 -19.866 7.789 1.00 36.78 C -40.611 -18.576 8.608 1.00 36.78 C -39.947 -18.563 9.645 1.00 36.78 O -41.727 -20.826 8.484 1.00 36.78 C -42.451 -21.779 7.553 1.00 36.78 C -43.729 -21.435 7.070 1.00 36.78 C -41.858 -22.997 7.169 1.00 36.78 C -44.419 -22.308 6.207 1.00 36.78 C -42.547 -23.875 6.310 1.00 36.78 C -43.827 -23.534 5.829 1.00 36.78 C -44.489 -24.381 4.999 1.00 36.78 O -41.335 -17.531 8.192 1.00 39.19 N -41.536 -16.274 8.937 1.00 39.19 C -43.050 -16.044 9.148 1.00 39.19 C -43.832 -16.451 8.282 1.00 39.19 O -40.870 -15.055 8.248 1.00 39.19 C -40.437 -14.001 9.277 1.00 39.19 C -39.619 -15.413 7.433 1.00 39.19 C -43.509 -15.458 10.276 1.00 40.61 N -44.928 -15.440 10.655 1.00 40.61 C -45.827 -14.496 9.841 1.00 40.61 C -45.414 -13.452 9.349 1.00 40.61 O -44.975 -15.093 12.149 1.00 40.61 C -43.566 -15.403 12.640 1.00 40.61 C -42.725 -15.034 11.428 1.00 40.61 C -47.103 -14.881 9.767 1.00 40.96 N -48.182 -14.254 8.999 1.00 40.96 C -48.795 -13.023 9.685 1.00 40.96 C -49.508 -13.167 10.678 1.00 40.96 O -49.260 -15.335 8.777 1.00 40.96 C -50.538 -14.802 8.492 1.00 40.96 O -48.693 -11.857 9.044 1.00 44.85 N -49.782 -10.870 9.001 1.00 44.85 C -49.838 -10.223 7.614 1.00 44.85 C -48.867 -9.672 7.107 1.00 44.85 O -49.706 -9.831 10.122 1.00 44.85 C -48.514 -9.085 10.075 1.00 44.85 O -50.986 -10.378 6.970 1.00 48.42 N -51.159 -10.479 5.527 1.00 48.42 C -51.477 -9.136 4.843 1.00 48.42 C -52.508 -9.072 4.191 1.00 48.42 O -52.271 -11.544 5.366 1.00 48.42 C -52.488 -12.147 3.971 1.00 48.42 C -53.557 -13.242 3.989 1.00 48.42 C -53.789 -13.904 2.878 1.00 48.42 N -54.199 -13.546 4.982 1.00 48.42 O -50.656 -8.075 4.961 1.00 43.63 N -50.918 -6.838 4.185 1.00 43.63 C -49.740 -5.913 3.783 1.00 43.63 C -50.016 -4.900 3.153 1.00 43.63 O -52.076 -6.046 4.846 1.00 43.63 C -53.438 -6.282 4.195 1.00 43.63 C -54.498 -5.878 4.852 1.00 43.63 N -53.601 -6.784 3.095 1.00 43.63 O -48.460 -6.238 4.012 1.00 40.19 N -47.364 -5.256 3.798 1.00 40.19 C -46.386 -5.534 2.640 1.00 40.19 C -45.238 -5.094 2.655 1.00 40.19 O -46.681 -4.920 5.142 1.00 40.19 C -47.113 -3.562 5.711 1.00 40.19 C -47.492 -2.671 4.917 1.00 40.19 O -47.068 -3.443 6.951 1.00 40.19 O1- -46.835 -6.202 1.570 1.00 48.76 N -45.985 -6.567 0.417 1.00 48.76 C -45.242 -5.388 -0.257 1.00 48.76 C -44.245 -5.623 -0.936 1.00 48.76 O -46.805 -7.370 -0.608 1.00 48.76 C -46.741 -8.871 -0.387 1.00 48.76 C -45.725 -9.623 -1.010 1.00 48.76 C -47.669 -9.511 0.457 1.00 48.76 C -45.642 -11.013 -0.802 1.00 48.76 C -47.584 -10.901 0.677 1.00 48.76 C -46.569 -11.654 0.045 1.00 48.76 C -46.480 -12.994 0.252 1.00 48.76 O -45.683 -4.138 -0.061 1.00 44.63 N -45.030 -2.935 -0.598 1.00 44.63 C -44.039 -2.231 0.342 1.00 44.63 C -43.229 -1.448 -0.146 1.00 44.63 O -44.065 -2.498 1.656 1.00 42.11 N -43.191 -1.825 2.637 1.00 42.11 C -41.934 -2.624 3.016 1.00 42.11 C -41.009 -2.057 3.594 1.00 42.11 O -43.972 -1.417 3.898 1.00 42.11 C -44.925 -0.236 3.668 1.00 42.11 C -45.160 0.862 5.100 1.00 42.11 S -43.705 1.942 4.960 1.00 42.11 C -41.833 -3.906 2.645 1.00 45.03 N -40.681 -4.762 2.986 1.00 45.03 C -39.319 -4.215 2.525 1.00 45.03 C -38.309 -4.494 3.163 1.00 45.03 O -40.883 -6.167 2.400 1.00 45.03 C -41.814 -7.042 3.213 1.00 45.03 C -41.335 -7.701 4.360 1.00 45.03 C -43.154 -7.193 2.828 1.00 45.03 C -42.205 -8.493 5.134 1.00 45.03 C -44.033 -7.976 3.601 1.00 45.03 C -43.561 -8.622 4.760 1.00 45.03 C -44.411 -9.374 5.509 1.00 45.03 O -39.276 -3.435 1.439 1.00 48.17 N -38.042 -2.806 0.960 1.00 48.17 C -37.631 -1.535 1.712 1.00 48.17 C -36.493 -1.116 1.560 1.00 48.17 O -38.532 -0.924 2.490 1.00 56.66 N -38.293 0.347 3.179 1.00 56.66 C -37.844 0.183 4.643 1.00 56.66 C -37.330 1.134 5.220 1.00 56.66 O -39.572 1.191 3.078 1.00 56.66 C -38.046 -0.995 5.245 1.00 64.28 N -37.762 -1.231 6.669 1.00 64.28 C -36.546 -2.115 6.953 1.00 64.28 C -36.093 -2.137 8.092 1.00 64.28 O -39.009 -1.820 7.340 1.00 64.28 C -40.128 -0.824 7.546 1.00 64.28 C -39.971 0.226 8.470 1.00 64.28 C -41.348 -0.979 6.869 1.00 64.28 C -41.023 1.128 8.707 1.00 64.28 C -42.412 -0.105 7.144 1.00 64.28 C -42.248 0.962 8.041 1.00 64.28 C -36.030 -2.851 5.966 1.00 80.74 N -34.889 -3.748 6.166 1.00 80.74 C -33.635 -3.151 5.538 1.00 80.74 C -33.592 -2.948 4.325 1.00 80.74 O -35.184 -5.146 5.605 1.00 80.74 C -36.313 -5.863 6.355 1.00 80.74 C -35.990 -6.155 8.117 1.00 80.74 S -37.336 -7.292 8.517 1.00 80.74 C -32.633 -2.899 6.374 1.00 89.27 N -31.299 -2.482 5.958 1.00 89.27 C -30.532 -3.694 5.413 1.00 89.27 C -30.005 -4.525 6.159 1.00 89.27 O -30.611 -1.833 7.159 1.00 89.27 C -29.246 -1.246 6.816 1.00 89.27 C -28.666 -1.547 5.746 1.00 89.27 O -28.769 -0.447 7.642 1.00 89.27 O1- -30.509 -3.829 4.085 1.00 91.94 N -29.941 -5.004 3.417 1.00 91.94 C -28.430 -5.047 3.561 1.00 91.94 C -27.879 -6.139 3.698 1.00 91.94 O -30.300 -4.996 1.933 1.00 91.94 C -31.803 -5.152 1.707 1.00 91.94 C -32.067 -5.135 0.205 1.00 91.94 C -33.570 -5.209 -0.033 1.00 91.94 C -33.861 -5.042 -1.472 1.00 91.94 N1+ -27.767 -3.886 3.531 1.00 93.07 N -26.323 -3.798 3.774 1.00 93.07 C -25.984 -4.236 5.191 1.00 93.07 C -25.056 -5.028 5.352 1.00 93.07 O -25.821 -2.374 3.553 1.00 93.07 C -25.417 -2.089 2.106 1.00 93.07 C -24.923 -0.644 2.077 1.00 93.07 C -24.563 -0.151 0.685 1.00 93.07 C -24.182 1.278 0.776 1.00 93.07 N1+ -26.754 -3.804 6.190 1.00 94.76 N -26.516 -4.221 7.568 1.00 94.76 C -26.657 -5.739 7.731 1.00 94.76 C -25.784 -6.388 8.313 1.00 94.76 O -27.476 -3.486 8.500 1.00 94.76 C -27.718 -6.327 7.173 1.00 93.99 N -27.931 -7.778 7.202 1.00 93.99 C -26.823 -8.542 6.459 1.00 93.99 C -26.354 -9.591 6.919 1.00 93.99 O -29.304 -8.110 6.598 1.00 93.99 C -30.490 -7.821 7.527 1.00 93.99 C -30.273 -7.707 8.760 1.00 93.99 O -31.626 -7.843 7.000 1.00 93.99 O1- -26.353 -8.011 5.328 1.00 94.63 N -25.220 -8.571 4.599 1.00 94.63 C -23.937 -8.537 5.438 1.00 94.63 C -23.239 -9.552 5.513 1.00 94.63 O -25.048 -7.863 3.245 1.00 94.63 C -23.873 -8.478 2.475 1.00 94.63 C -23.734 -8.005 1.025 1.00 94.63 C -22.950 -8.687 0.322 1.00 94.63 O -24.410 -7.036 0.619 1.00 94.63 O1- -23.646 -7.427 6.117 1.00 95.37 N -22.494 -7.306 7.011 1.00 95.37 C -22.541 -8.287 8.173 1.00 95.37 C -21.547 -8.971 8.429 1.00 95.37 O -22.366 -5.870 7.518 1.00 95.37 C -21.480 -5.075 6.633 1.00 95.37 C -21.874 -4.168 5.718 1.00 95.37 C -20.036 -5.191 6.500 1.00 95.37 C -19.618 -4.300 5.477 1.00 95.37 C -19.044 -5.993 7.106 1.00 95.37 C -20.769 -3.681 5.050 1.00 95.37 N -18.290 -4.231 5.067 1.00 95.37 C -17.698 -5.906 6.700 1.00 95.37 C -17.313 -5.018 5.687 1.00 95.37 C -23.699 -8.442 8.821 1.00 95.32 N -23.887 -9.451 9.875 1.00 95.32 C -23.567 -10.849 9.352 1.00 95.32 C -22.835 -11.595 9.999 1.00 95.32 O -25.322 -9.392 10.414 1.00 95.32 C -25.592 -8.094 11.184 1.00 95.32 C -27.076 -7.972 11.549 1.00 95.32 C -27.370 -6.501 11.830 1.00 95.32 C -28.710 -6.290 12.412 1.00 95.32 N1+ -24.049 -11.202 8.154 1.00 94.97 N -23.757 -12.499 7.521 1.00 94.97 C -22.267 -12.666 7.203 1.00 94.97 C -21.714 -13.728 7.482 1.00 94.97 O -24.619 -12.649 6.261 1.00 94.97 C -24.520 -14.062 5.660 1.00 94.97 C -25.145 -14.133 4.259 1.00 94.97 C -24.451 -13.263 3.283 1.00 94.97 N -23.252 -13.438 2.752 1.00 94.97 C -22.520 -14.488 3.017 1.00 94.97 N1+ -22.756 -12.543 1.943 1.00 94.97 N -21.629 -11.645 6.619 1.00 95.10 N -20.193 -11.643 6.282 1.00 95.10 C -19.340 -11.861 7.533 1.00 95.10 C -18.460 -12.715 7.533 1.00 95.10 O -19.813 -10.318 5.589 1.00 95.10 C -20.363 -10.177 4.157 1.00 95.10 C -20.215 -8.743 3.616 1.00 95.10 C -18.804 -8.395 3.389 1.00 95.10 N -18.273 -7.257 2.989 1.00 95.10 C -18.995 -6.196 2.787 1.00 95.10 N1+ -16.993 -7.169 2.752 1.00 95.10 N -19.653 -11.164 8.623 1.00 96.29 N -18.888 -11.270 9.871 1.00 96.29 C -19.133 -12.591 10.586 1.00 96.29 C -18.177 -13.195 11.065 1.00 96.29 O -19.137 -10.052 10.770 1.00 96.29 C -18.466 -10.241 12.138 1.00 96.29 C -18.523 -8.849 10.047 1.00 96.29 C -20.365 -13.104 10.598 1.00 95.26 N -20.644 -14.439 11.141 1.00 95.26 C -19.859 -15.543 10.417 1.00 95.26 C -19.321 -16.433 11.074 1.00 95.26 O -22.151 -14.720 11.074 1.00 95.26 C -22.929 -13.963 12.157 1.00 95.26 C -22.562 -14.432 13.874 1.00 95.26 S -23.134 -16.146 13.917 1.00 95.26 C -19.742 -15.465 9.088 1.00 94.57 N -18.918 -16.391 8.296 1.00 94.57 C -17.426 -16.281 8.663 1.00 94.57 C -16.764 -17.298 8.885 1.00 94.57 O -19.174 -16.125 6.803 1.00 94.57 C -18.346 -17.018 5.873 1.00 94.57 C -18.443 -18.261 5.948 1.00 94.57 O -17.608 -16.474 5.019 1.00 94.57 O1- -16.900 -15.061 8.817 1.00 95.27 N -15.523 -14.837 9.276 1.00 95.27 C -15.268 -15.365 10.688 1.00 95.27 C -14.283 -16.068 10.897 1.00 95.27 O -15.160 -13.354 9.209 1.00 95.27 C -15.012 -12.964 7.862 1.00 95.27 O -16.157 -15.101 11.649 1.00 93.95 N -16.036 -15.613 13.024 1.00 93.95 C -16.020 -17.144 13.024 1.00 93.95 C -15.173 -17.752 13.675 1.00 93.95 O -17.186 -15.084 13.909 1.00 93.95 C -17.075 -13.560 14.139 1.00 93.95 C -17.201 -15.800 15.275 1.00 93.95 C -18.383 -12.962 14.676 1.00 93.95 C -16.926 -17.779 12.273 1.00 93.28 N -16.987 -19.237 12.188 1.00 93.28 C -15.695 -19.826 11.605 1.00 93.28 C -15.217 -20.855 12.078 1.00 93.28 O -18.209 -19.639 11.350 1.00 93.28 C -18.381 -21.164 11.312 1.00 93.28 C -19.594 -21.625 10.514 1.00 93.28 C -19.808 -22.919 10.421 1.00 93.28 N -20.375 -20.872 9.964 1.00 93.28 O -15.115 -19.175 10.594 1.00 92.99 N -13.840 -19.579 9.987 1.00 92.99 C -12.657 -19.414 10.943 1.00 92.99 C -11.791 -20.284 10.993 1.00 92.99 O -13.643 -18.755 8.710 1.00 92.99 C -14.492 -19.315 7.561 1.00 92.99 C -14.520 -18.337 6.385 1.00 92.99 C -15.336 -18.941 5.244 1.00 92.99 C -15.563 -17.943 4.180 1.00 92.99 N1+ -12.631 -18.326 11.709 1.00 92.78 N -11.537 -17.985 12.622 1.00 92.78 C -11.692 -18.599 14.024 1.00 92.78 C -10.829 -18.392 14.869 1.00 92.78 O -11.376 -16.452 12.673 1.00 92.78 C -11.053 -15.785 11.321 1.00 92.78 C -11.023 -14.265 11.480 1.00 92.78 C -9.717 -16.228 10.732 1.00 92.78 C -12.736 -19.394 14.283 1.00 88.25 N -13.096 -19.869 15.632 1.00 88.25 C -11.996 -20.647 16.368 1.00 88.25 C -12.019 -20.732 17.592 1.00 88.25 O -14.350 -20.749 15.550 1.00 88.25 C -14.061 -22.028 15.003 1.00 88.25 O -11.059 -21.252 15.632 1.00 85.57 N -9.962 -22.059 16.178 1.00 85.57 C -8.612 -21.317 16.189 1.00 85.57 C -7.580 -21.945 16.424 1.00 85.57 O -9.878 -23.379 15.390 1.00 85.57 C -11.123 -24.239 15.500 1.00 85.57 C -11.415 -25.017 14.486 1.00 85.57 N -11.854 -24.240 16.475 1.00 85.57 O -8.597 -20.021 15.874 1.00 87.01 N -7.386 -19.214 15.744 1.00 87.01 C -7.339 -18.128 16.820 1.00 87.01 C -8.357 -17.538 17.170 1.00 87.01 O -7.301 -18.597 14.340 1.00 87.01 C -7.273 -19.654 13.223 1.00 87.01 C -7.057 -19.041 11.844 1.00 87.01 C -6.784 -19.829 10.834 1.00 87.01 N -7.110 -17.850 11.621 1.00 87.01 O -6.137 -17.836 17.315 1.00 89.67 N -5.892 -16.746 18.264 1.00 89.67 C -5.705 -15.408 17.521 1.00 89.67 C -4.666 -14.755 17.619 1.00 89.67 O -4.722 -17.123 19.191 1.00 89.67 C -4.568 -16.128 20.343 1.00 89.67 C -5.600 -15.636 20.842 1.00 89.67 O -3.424 -15.802 20.735 1.00 89.67 O1- -6.700 -15.034 16.714 1.00 93.23 N -6.689 -13.817 15.894 1.00 93.23 C -7.821 -12.895 16.324 1.00 93.23 C -8.993 -13.269 16.273 1.00 93.23 O -6.795 -14.144 14.396 1.00 93.23 C -6.755 -12.890 13.521 1.00 93.23 C -5.728 -14.971 13.984 1.00 93.23 O -7.483 -11.668 16.720 1.00 93.92 N -8.490 -10.647 17.032 1.00 93.92 C -9.132 -10.144 15.738 1.00 93.92 C -8.432 -9.858 14.773 1.00 93.92 O -7.885 -9.477 17.823 1.00 93.92 C -8.950 -8.480 18.276 1.00 93.92 C -7.252 -9.937 18.999 1.00 93.92 O -10.454 -9.999 15.717 1.00 96.32 N -11.188 -9.289 14.670 1.00 96.32 C -11.908 -8.116 15.330 1.00 96.32 C -12.598 -8.327 16.322 1.00 96.32 O -12.157 -10.261 13.968 1.00 96.32 C -13.076 -9.602 12.920 1.00 96.32 C -12.301 -8.986 11.755 1.00 96.32 C -14.043 -10.644 12.352 1.00 96.32 C -11.752 -6.904 14.806 1.00 96.98 N -12.433 -5.727 15.345 1.00 96.98 C -12.744 -4.723 14.238 1.00 96.98 C -11.896 -4.429 13.392 1.00 96.98 O -11.571 -5.105 16.456 1.00 96.98 C -12.223 -3.886 17.113 1.00 96.98 C -11.198 -3.070 18.363 1.00 96.98 S -10.004 -2.228 17.297 1.00 96.98 C -13.955 -4.176 14.273 1.00 97.90 N -14.336 -3.030 13.459 1.00 97.90 C -14.165 -1.742 14.256 1.00 97.90 C -14.417 -1.726 15.461 1.00 97.90 O -15.769 -3.170 12.949 1.00 97.90 C -15.946 -4.263 11.923 1.00 97.90 C -16.107 -3.917 10.571 1.00 97.90 C -15.921 -5.616 12.308 1.00 97.90 C -16.220 -4.923 9.602 1.00 97.90 C -16.011 -6.624 11.334 1.00 97.90 C -16.154 -6.273 9.983 1.00 97.90 C -13.753 -0.657 13.608 1.00 97.54 N -13.516 0.606 14.305 1.00 97.54 C -13.858 1.824 13.447 1.00 97.54 C -13.592 1.846 12.248 1.00 97.54 O -12.059 0.656 14.794 1.00 97.54 C -11.024 0.808 13.694 1.00 97.54 C -10.578 -0.312 12.964 1.00 97.54 C -10.507 2.083 13.397 1.00 97.54 C -9.637 -0.148 11.931 1.00 97.54 C -9.558 2.242 12.374 1.00 97.54 C -9.127 1.126 11.639 1.00 97.54 C -14.400 2.862 14.080 1.00 95.56 N -14.482 4.218 13.525 1.00 95.56 C -13.428 5.134 14.154 1.00 95.56 C -12.828 5.941 13.449 1.00 95.56 O -15.892 4.787 13.716 1.00 95.56 C -16.259 4.785 15.083 1.00 95.56 O -13.145 4.950 15.449 1.00 95.85 N -12.088 5.640 16.194 1.00 95.85 C -10.775 4.825 16.198 1.00 95.85 C -10.715 3.749 16.806 1.00 95.85 O -12.566 5.930 17.626 1.00 95.85 C -11.524 6.689 18.463 1.00 95.85 C -10.466 7.078 17.911 1.00 95.85 O -11.772 6.846 19.677 1.00 95.85 O1- -9.693 5.318 15.563 1.00 97.13 N -8.394 4.645 15.568 1.00 97.13 C -7.751 4.497 16.954 1.00 97.13 C -6.857 3.661 17.103 1.00 97.13 O -7.499 5.481 14.647 1.00 97.13 C -8.498 6.174 13.730 1.00 97.13 C -9.652 6.469 14.674 1.00 97.13 C -8.167 5.269 17.966 1.00 96.90 N -7.618 5.155 19.318 1.00 96.90 C -7.877 3.769 19.936 1.00 96.90 C -6.989 3.213 20.586 1.00 96.90 O -8.200 6.274 20.188 1.00 96.90 C -9.044 3.173 19.664 1.00 95.54 N -9.388 1.819 20.116 1.00 95.54 C -8.472 0.764 19.481 1.00 95.54 C -7.968 -0.129 20.163 1.00 95.54 O -10.862 1.527 19.775 1.00 95.54 C -11.885 2.435 20.483 1.00 95.54 C -13.291 2.095 19.986 1.00 95.54 C -11.858 2.262 22.003 1.00 95.54 C -8.198 0.900 18.182 1.00 96.31 N -7.291 0.008 17.449 1.00 96.31 C -5.842 0.159 17.903 1.00 96.31 C -5.107 -0.828 17.975 1.00 96.31 O -7.395 0.267 15.946 1.00 96.31 C -8.743 0.157 15.541 1.00 96.31 O -5.420 1.373 18.268 1.00 97.42 N -4.114 1.608 18.881 1.00 97.42 C -3.989 0.897 20.235 1.00 97.42 C -3.002 0.200 20.467 1.00 97.42 O -3.861 3.122 18.985 1.00 97.42 C -2.595 3.496 19.779 1.00 97.42 C -1.292 2.937 19.200 1.00 97.42 C -2.461 5.017 19.839 1.00 97.42 C -4.977 1.039 21.118 1.00 96.72 N -4.948 0.386 22.430 1.00 96.72 C -4.919 -1.146 22.303 1.00 96.72 C -4.064 -1.802 22.910 1.00 96.72 O -6.139 0.865 23.273 1.00 96.72 C -6.049 0.320 24.708 1.00 96.72 C -7.189 0.774 25.630 1.00 96.72 C -7.228 0.240 26.765 1.00 96.72 O -7.992 1.642 25.229 1.00 96.72 O1- -5.799 -1.715 21.471 1.00 96.24 N -5.855 -3.162 21.253 1.00 96.24 C -4.569 -3.699 20.609 1.00 96.24 C -4.020 -4.703 21.070 1.00 96.24 O -7.085 -3.535 20.416 1.00 96.24 C -7.175 -5.057 20.269 1.00 96.24 C -7.267 -5.753 21.301 1.00 96.24 O -7.085 -5.568 19.137 1.00 96.24 O1- -4.023 -3.004 19.605 1.00 96.60 N -2.782 -3.433 18.947 1.00 96.60 C -1.597 -3.459 19.916 1.00 96.60 C -0.868 -4.452 19.963 1.00 96.60 O -2.474 -2.600 17.698 1.00 96.60 C -2.431 -1.215 17.959 1.00 96.60 O -1.433 -2.438 20.765 1.00 96.36 N -0.385 -2.423 21.798 1.00 96.36 C -0.586 -3.550 22.815 1.00 96.36 C 0.385 -4.216 23.192 1.00 96.36 O -0.335 -1.043 22.488 1.00 96.36 C 0.171 0.060 21.530 1.00 96.36 C 0.523 -1.064 23.771 1.00 96.36 C 1.641 -0.049 21.098 1.00 96.36 C -1.827 -3.796 23.253 1.00 95.30 N -2.150 -4.917 24.147 1.00 95.30 C -1.718 -6.245 23.527 1.00 95.30 C -0.987 -7.002 24.167 1.00 95.30 O -3.650 -4.884 24.476 1.00 95.30 C -4.090 -6.085 25.326 1.00 95.30 C -5.566 -5.989 25.717 1.00 95.30 C -6.479 -6.082 24.557 1.00 95.30 N -7.744 -5.701 24.533 1.00 95.30 C -8.275 -4.991 25.486 1.00 95.30 N1+ -8.527 -6.014 23.553 1.00 95.30 N -2.083 -6.490 22.267 1.00 92.88 N -1.781 -7.743 21.565 1.00 92.88 C -0.291 -7.961 21.332 1.00 92.88 C 0.206 -9.077 21.480 1.00 92.88 O -2.574 -7.771 20.245 1.00 92.88 C -3.109 -9.170 19.942 1.00 92.88 C -4.175 -9.582 20.969 1.00 92.88 C -4.707 -10.900 20.632 1.00 92.88 N -4.268 -12.064 21.065 1.00 92.88 C -3.421 -12.227 22.041 1.00 92.88 N1+ -4.702 -13.122 20.475 1.00 92.88 N 0.440 -6.889 21.031 1.00 93.76 N 1.899 -6.928 20.899 1.00 93.76 C 2.552 -7.290 22.245 1.00 93.76 C 3.430 -8.151 22.292 1.00 93.76 O 2.404 -5.590 20.312 1.00 93.76 C 1.946 -5.444 18.840 1.00 93.76 C 3.938 -5.521 20.375 1.00 93.76 C 2.130 -4.032 18.269 1.00 93.76 C 2.101 -6.700 23.361 1.00 92.97 N 2.645 -6.988 24.703 1.00 92.97 C 2.368 -8.412 25.171 1.00 92.97 C 3.270 -9.054 25.706 1.00 92.97 O 2.076 -6.001 25.725 1.00 92.97 C 2.687 -4.606 25.575 1.00 92.97 C 1.981 -3.659 26.544 1.00 92.97 C 2.518 -2.292 26.445 1.00 92.97 N 2.006 -1.220 27.020 1.00 92.97 C 0.966 -1.291 27.805 1.00 92.97 N1+ 2.529 -0.046 26.805 1.00 92.97 N 1.155 -8.914 24.957 1.00 89.66 N 0.792 -10.306 25.265 1.00 89.66 C 1.679 -11.303 24.513 1.00 89.66 C 2.014 -12.360 25.045 1.00 89.66 O -0.668 -10.553 24.872 1.00 89.66 C -1.662 -9.901 25.842 1.00 89.66 C -3.112 -9.986 25.341 1.00 89.66 C -3.989 -9.447 26.053 1.00 89.66 O -3.337 -10.558 24.245 1.00 89.66 O1- 2.108 -10.951 23.294 1.00 80.72 N 3.000 -11.784 22.488 1.00 80.72 C 4.419 -11.849 23.034 1.00 80.72 C 4.999 -12.921 23.009 1.00 80.72 O 3.024 -11.264 21.042 1.00 80.72 C 3.604 -12.286 20.053 1.00 80.72 C 2.557 -13.363 19.777 1.00 80.72 C 3.080 -14.470 18.874 1.00 80.72 C 1.934 -15.335 18.496 1.00 80.72 N1+ 4.973 -10.723 23.480 1.00 78.67 N 6.331 -10.674 24.036 1.00 78.67 C 6.409 -11.144 25.497 1.00 78.67 C 7.505 -11.370 26.002 1.00 78.67 O 6.894 -9.253 23.884 1.00 78.67 C 7.248 -8.855 22.461 1.00 78.67 C 8.263 -9.550 21.774 1.00 78.67 C 6.614 -7.759 21.844 1.00 78.67 C 8.628 -9.165 20.469 1.00 78.67 C 7.001 -7.351 20.552 1.00 78.67 C 8.001 -8.060 19.856 1.00 78.67 C 8.374 -7.675 18.607 1.00 78.67 O 5.268 -11.264 26.183 1.00 74.54 N 5.201 -11.749 27.569 1.00 74.54 C 5.107 -13.278 27.678 1.00 74.54 C 5.379 -13.813 28.752 1.00 74.54 O 4.008 -11.118 28.293 1.00 74.54 C 4.079 -9.702 28.254 1.00 74.54 O 4.717 -13.960 26.594 1.00 52.15 N 4.674 -15.422 26.459 1.00 52.15 C 5.883 -15.917 25.666 1.00 52.15 C 6.368 -17.026 25.981 1.00 52.15 O 3.372 -15.828 25.740 1.00 52.15 C 2.097 -15.650 26.541 1.00 52.15 C 1.017 -15.306 25.882 1.00 52.15 N 2.013 -15.858 27.739 1.00 52.15 O 6.223 -15.206 24.695 1.00 52.15 O1- id="glmol01_rep" style="display: none;"> 692,699,802,810,821,830,837,844,851,862,868,873,880,886,898,1540,1546,1555,1578,1586,1593,1600,1607,1614,1621,1629,1637,1716,1721,1727,1738,1749,1753,1760,1767,1793,1797,1805,1813,1821,1829,1838,1843,1852,1893,1899,1908,1916,1924,1932,1939,2028,2034,2043,2050,2061,2129,2137,2141,2149,2157,2556,2564,2575,2586,2598,3075,3084,3095,3103,3111,3118,3122,3295,3300,3308,3320,3328,4441,4448,4456,4464,4475 235,243,251,259,267,278,285,292,301,309,316,328,336,343,351,359,366,372,378,386,392,401,410,417,425,433,437,445,456,462,469,937,948,959,967,978,992,1000,1008,1014,1022,1028,1037,1046,1058,1374,1386,1392,1402,1410,1414,1422,1431,1440,1449,1457,1464,1472,1480,1489,1500,1508,1517,1521,1532,2266,2277,2288,2294,2302,2313,2324,2332,2339,2350,2376,2383,2392,2398,2439,2446,2453,2461,2475,2487,2496,2503,2511,2521,2529,2536,2632,2640,2649,2656,2667,2674,2682,2690,2699,2708,2720,2728,2734,2739,2858,2869,2880,2886,2893,2901,2928,2933,2941,2952,2961,2969,2978,2985,2993,2998,3006,3014,3022,3031,3159,3167,3175,3184,3189,3201,3208,3215,3222,3227,3235,3400,3407,3413,3423,3431,3440,3449,3456,3464,3472,3481,3488,3496,3504,3512,3520,3529,3537,3546,3794,3803,3812,3821,3828,3837,3843,3851,3862,3870,3876,3887,4207,4219,4223,4228,4255,4264,4273,4278,4286,4295,4309,4318,4329,4340,4347,4355,4363,4369,4377,4386,4395,4403,4500,4507,4512,4520,4526,4534,4543,4551,4557,4565,4576,4587,4595,4606,4615,4624,4636 4.341,-117.294,117.294,0.450,20.000,-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

No sources available.