P47051 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	Putative lipoate-protein ligase A (EC 6.3.1.20) (Altered inheritance rate of mitochondria protein 22)
Uniprot ID	P47051
Systematic gene name	YJL046W
Standard gene name	AIM22
Gene names	AIM22 YJL046W J1171
Description from SGD	YJL046W AIM22 SGDID:S000003582, Chr X from 352386-353615, Genome Release 64-3-1, Verified ORF, "Lipoate-protein ligase; octanoyl-CoA: protein transferase required along with Lip2 and Lip5 for lipoylation of Lat1p and Kgd2p; similar to E. coli LplA; null mutant displays reduced frequency of mitochondrial genome loss"
Protein length	409
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MSMMLSNWAL SPRYVGQRNL IHCTTLFHTL TRWAKDADDK YHDINSMYEN
MFTPSNDNVS ILQDEGKSDY DTTKASSMEE DISAFNKDLY NFYNIGYAKQ
IMSASQLENI VKAKGRFVIQ SLSTSPYYNL ALENYVFKNT PRAKRGPDNC
RLLFYINDRC AVIGKNQNLW QEVDLAKLKS KNFELLRRFS GGGTVLHDLG
NVNYSYLTSR EKFETKFFNK MIIKWLNSLN PELRLDLNER GDIIQDGFKI
SGSAYKIAGG KAYHHATMLL NADLEQFSGL LEPSLPNNME WESSGVHSVK
SKIKNVGIIT PNQFIAVVSE RFQKTFKVDG EIPIYYCDEF KSINDEIKDA
MNTLQSEQWK YFSGPKFSVK IKDKGLTIKV EKGMIYDCDR NDLIGLEFKG
FLENIDSYT

Legend

X Phoshorylation

Structure

Structure visualized

Loading structure by GLmol written by biochem_fan. The structure was downloaded from the AlphaFold Protein Structure Database. id="glmol01_src" style="display: none;"> -79.403 24.178 22.183 1.00 35.92 N -80.172 25.330 21.673 1.00 35.92 C -79.392 25.863 20.474 1.00 35.92 C -78.268 26.267 20.712 1.00 35.92 O -80.340 26.354 22.819 1.00 35.92 C -81.693 27.068 22.844 1.00 35.92 C -81.970 27.911 24.427 1.00 35.92 S -83.554 28.735 24.121 1.00 35.92 C -79.929 25.663 19.252 1.00 32.56 N -79.604 26.198 17.897 1.00 32.56 C -78.208 26.753 17.576 1.00 32.56 C -77.645 27.478 18.372 1.00 32.56 O -80.604 27.323 17.610 1.00 32.56 C -81.787 26.753 17.108 1.00 32.56 O -77.613 26.645 16.384 1.00 33.34 N -77.921 26.128 15.035 1.00 33.34 C -76.594 26.375 14.265 1.00 33.34 C -75.988 27.423 14.443 1.00 33.34 O -79.041 26.963 14.370 1.00 33.34 C -80.303 26.166 14.013 1.00 33.34 C -81.719 27.232 13.620 1.00 33.34 S -82.590 26.204 12.402 1.00 33.34 C -75.997 25.383 13.599 1.00 34.55 N -75.997 25.247 12.130 1.00 34.55 C -75.441 26.458 11.337 1.00 34.55 C -76.112 27.477 11.252 1.00 34.55 O -77.409 24.848 11.644 1.00 34.55 C -77.487 23.411 11.131 1.00 34.55 C -79.094 23.029 10.388 1.00 34.55 S -79.042 21.220 10.403 1.00 34.55 C -74.283 26.304 10.669 1.00 36.78 N -74.144 26.254 9.193 1.00 36.78 C -72.698 26.468 8.694 1.00 36.78 C -71.867 27.126 9.308 1.00 36.78 O -75.118 27.180 8.429 1.00 36.78 C -76.473 26.487 8.169 1.00 36.78 C -77.569 27.511 7.899 1.00 36.78 C -76.408 25.509 6.992 1.00 36.78 C -72.449 25.817 7.565 1.00 33.57 N -71.219 25.536 6.828 1.00 33.57 C -70.810 26.609 5.804 1.00 33.57 C -71.635 27.435 5.427 1.00 33.57 O -71.547 24.250 6.052 1.00 33.57 C -72.769 24.405 5.340 1.00 33.57 O -69.574 26.477 5.284 1.00 35.36 N -69.086 26.711 3.896 1.00 35.36 C -67.748 27.479 3.885 1.00 35.36 C -67.672 28.599 4.363 1.00 35.36 O -70.137 27.316 2.944 1.00 35.36 C -71.213 26.314 2.552 1.00 35.36 C -72.226 26.747 1.843 1.00 35.36 N -71.159 25.129 2.857 1.00 35.36 O -66.622 26.813 3.603 1.00 30.74 N -66.003 26.516 2.289 1.00 30.74 C -65.123 27.644 1.715 1.00 30.74 C -65.442 28.824 1.771 1.00 30.74 O -66.917 25.868 1.235 1.00 30.74 C -67.013 24.370 1.296 1.00 30.74 C -67.394 23.650 2.376 1.00 30.74 C -66.722 23.383 0.250 1.00 30.74 C -66.992 22.082 0.774 1.00 30.74 C -66.260 23.445 -1.084 1.00 30.74 C -67.399 22.307 2.068 1.00 30.74 N -66.831 20.910 0.023 1.00 30.74 C -66.086 22.273 -1.849 1.00 30.74 C -66.374 21.009 -1.301 1.00 30.74 C -63.977 27.193 1.200 1.00 30.24 N -62.759 27.895 0.812 1.00 30.24 C -62.892 29.029 -0.225 1.00 30.24 C -63.704 28.969 -1.145 1.00 30.24 O -61.834 26.803 0.251 1.00 30.24 C -61.963 29.989 -0.133 1.00 32.34 N -61.645 30.989 -1.156 1.00 32.34 C -60.194 30.835 -1.642 1.00 32.34 C -59.295 30.466 -0.889 1.00 32.34 O -61.907 32.410 -0.617 1.00 32.34 C -63.363 32.876 -0.793 1.00 32.34 C -63.631 34.092 0.094 1.00 32.34 C -63.647 33.281 -2.245 1.00 32.34 C -60.011 31.136 -2.927 1.00 30.93 N -58.770 31.113 -3.712 1.00 30.93 C -58.271 32.564 -3.996 1.00 30.93 C -58.943 33.508 -3.582 1.00 30.93 O -59.053 30.257 -4.961 1.00 30.93 C -59.694 31.015 -5.966 1.00 30.93 O -57.098 32.776 -4.638 1.00 38.40 N -56.123 33.841 -4.330 1.00 38.40 C -56.160 35.074 -5.257 1.00 38.40 C -56.715 34.990 -6.351 1.00 38.40 O -54.781 33.123 -4.526 1.00 38.40 C -55.044 32.275 -5.771 1.00 38.40 C -56.473 31.814 -5.536 1.00 38.40 C -55.459 36.170 -4.880 1.00 32.69 N -54.833 37.166 -5.794 1.00 32.69 C -54.075 38.316 -5.069 1.00 32.69 C -54.532 38.801 -4.046 1.00 32.69 O -55.910 37.778 -6.722 1.00 32.69 C -55.844 37.280 -8.178 1.00 32.69 C -57.075 37.758 -8.958 1.00 32.69 C -57.216 37.054 -10.247 1.00 32.69 N -57.889 37.471 -11.307 1.00 32.69 C -58.458 38.644 -11.353 1.00 32.69 N1+ -58.007 36.704 -12.354 1.00 32.69 N -53.014 38.795 -5.739 1.00 34.11 N -52.369 40.131 -5.726 1.00 34.11 C -50.998 40.402 -5.047 1.00 34.11 C -50.804 40.338 -3.841 1.00 34.11 O -53.340 41.325 -5.662 1.00 34.11 C -53.954 41.637 -7.016 1.00 34.11 C -53.190 42.289 -8.004 1.00 34.11 C -55.276 41.258 -7.299 1.00 34.11 C -53.726 42.500 -9.290 1.00 34.11 C -55.803 41.423 -8.593 1.00 34.11 C -55.027 42.041 -9.593 1.00 34.11 C -55.553 42.214 -10.833 1.00 34.11 O -50.088 40.778 -5.959 1.00 31.61 N -48.733 41.361 -5.967 1.00 31.61 C -48.588 42.694 -5.204 1.00 31.61 C -49.478 43.530 -5.307 1.00 31.61 O -48.487 41.658 -7.480 1.00 31.61 C -47.233 42.467 -7.830 1.00 31.61 C -48.447 40.370 -8.323 1.00 31.61 C -47.396 42.971 -4.638 1.00 30.29 N -46.773 44.307 -4.771 1.00 30.29 C -46.100 44.976 -3.555 1.00 30.29 C -46.769 45.626 -2.771 1.00 30.29 O -44.757 44.964 -3.570 1.00 31.01 N -43.801 46.015 -3.144 1.00 31.01 C -43.494 46.356 -1.658 1.00 31.01 C -44.329 46.839 -0.908 1.00 31.01 O -44.026 47.310 -3.953 1.00 31.01 C -43.462 47.225 -5.382 1.00 31.01 C -43.506 48.559 -6.127 1.00 31.01 C -42.893 48.652 -7.286 1.00 31.01 N -44.053 49.552 -5.687 1.00 31.01 O -42.166 46.324 -1.400 1.00 29.04 N -41.318 47.190 -0.538 1.00 29.04 C -41.407 47.045 0.992 1.00 29.04 C -42.268 47.638 1.623 1.00 29.04 O -41.487 48.670 -0.949 1.00 29.04 C -40.846 49.021 -2.300 1.00 29.04 C -41.136 50.484 -2.655 1.00 29.04 C -40.395 50.917 -3.858 1.00 29.04 N -40.489 52.099 -4.444 1.00 29.04 C -41.308 53.018 -4.015 1.00 29.04 N1+ -39.749 52.386 -5.479 1.00 29.04 N -40.389 46.415 1.593 1.00 32.36 N -39.348 47.072 2.412 1.00 32.36 C -38.432 46.044 3.105 1.00 32.36 C -38.827 44.910 3.354 1.00 32.36 O -39.932 48.070 3.439 1.00 32.36 C -40.096 49.467 2.854 1.00 32.36 C -40.998 50.258 3.380 1.00 32.36 N -39.401 49.871 1.931 1.00 32.36 O -37.186 46.463 3.359 1.00 27.52 N -36.154 45.767 4.131 1.00 27.52 C -36.685 45.256 5.486 1.00 27.52 C -37.459 45.972 6.113 1.00 27.52 O -35.023 46.777 4.444 1.00 27.52 C -33.972 47.077 3.360 1.00 27.52 C -34.481 47.971 2.228 1.00 27.52 C -32.790 47.790 4.023 1.00 27.52 C -36.159 44.101 5.939 1.00 32.78 N -35.912 43.635 7.332 1.00 32.78 C -36.238 42.127 7.501 1.00 32.78 C -37.378 41.707 7.373 1.00 32.78 O -36.561 44.521 8.442 1.00 32.78 C -35.822 45.882 8.578 1.00 32.78 C -36.526 43.870 9.835 1.00 32.78 C -36.685 46.988 9.200 1.00 32.78 C -35.194 41.359 7.858 1.00 28.03 N -35.162 40.100 8.639 1.00 28.03 C -35.823 38.798 8.133 1.00 28.03 C -37.032 38.702 7.971 1.00 28.03 O -35.627 40.360 10.080 1.00 28.03 C -34.626 41.048 10.972 1.00 28.03 C -34.580 40.922 12.333 1.00 28.03 C -33.553 41.836 10.606 1.00 28.03 N -32.884 42.172 11.720 1.00 28.03 C -33.468 41.626 12.794 1.00 28.03 N -34.996 37.744 8.075 1.00 30.37 N -35.253 36.352 8.505 1.00 30.37 C -33.920 35.597 8.286 1.00 30.37 C -33.586 35.292 7.150 1.00 30.37 O -36.373 35.702 7.663 1.00 30.37 C -37.968 35.831 8.520 1.00 30.37 S -33.005 35.345 9.232 1.00 29.77 N -33.135 34.845 10.617 1.00 29.77 C -34.083 33.656 10.738 1.00 29.77 C -35.030 33.646 11.516 1.00 29.77 O -33.251 35.902 11.741 1.00 29.77 C -31.881 36.158 12.378 1.00 29.77 C -33.715 37.141 11.270 1.00 29.77 O -33.816 32.610 9.952 1.00 29.81 N -34.505 31.315 10.070 1.00 29.81 C -33.551 30.165 9.742 1.00 29.81 C -33.744 29.446 8.776 1.00 29.81 O -35.797 31.249 9.227 1.00 29.81 C -36.793 30.259 9.832 1.00 29.81 C -36.446 32.497 9.187 1.00 29.81 O -32.476 30.032 10.525 1.00 31.37 N -31.678 28.790 10.637 1.00 31.37 C -30.757 28.751 11.877 1.00 31.37 C -30.143 27.729 12.147 1.00 31.37 O -30.924 28.498 9.314 1.00 31.37 C -31.561 27.318 8.535 1.00 31.37 C -31.471 27.530 7.026 1.00 31.37 C -30.891 25.992 8.889 1.00 31.37 C -30.740 29.810 12.698 1.00 34.74 N -29.953 29.894 13.940 1.00 34.74 C -30.789 29.914 15.241 1.00 34.74 C -30.229 29.998 16.333 1.00 34.74 O -28.983 31.085 13.829 1.00 34.74 C -27.544 30.650 13.640 1.00 34.74 C -26.705 30.520 14.763 1.00 34.74 C -27.048 30.343 12.358 1.00 34.74 C -25.373 30.099 14.604 1.00 34.74 C -25.716 29.921 12.201 1.00 34.74 C -24.878 29.802 13.323 1.00 34.74 C -32.125 29.804 15.159 1.00 34.78 N -33.028 29.984 16.314 1.00 34.78 C -33.711 28.721 16.863 1.00 34.78 C -34.479 28.807 17.821 1.00 34.78 O -34.007 31.148 16.061 1.00 34.78 C -33.706 32.380 16.882 1.00 34.78 C -34.120 33.654 16.602 1.00 34.78 C -32.979 32.445 18.057 1.00 34.78 N -32.944 33.725 18.456 1.00 34.78 C -33.636 34.496 17.606 1.00 34.78 N -33.392 27.541 16.331 1.00 34.13 N -33.904 26.252 16.840 1.00 34.13 C -32.862 25.431 17.606 1.00 34.13 C -33.229 24.456 18.249 1.00 34.13 O -34.597 25.423 15.738 1.00 34.13 C -36.099 25.317 16.000 1.00 34.13 C -34.453 26.013 14.460 1.00 34.13 O -31.593 25.861 17.627 1.00 33.70 N -30.512 25.269 18.437 1.00 33.70 C -30.138 26.108 19.676 1.00 33.70 C -29.431 25.628 20.551 1.00 33.70 O -29.309 24.977 17.514 1.00 33.70 C -29.348 23.536 16.963 1.00 33.70 C -28.680 23.447 15.592 1.00 33.70 C -28.633 22.573 17.913 1.00 33.70 C -30.666 27.330 19.803 1.00 36.52 N -30.369 28.271 20.906 1.00 36.52 C -31.512 28.433 21.918 1.00 36.52 C -31.393 29.194 22.872 1.00 36.52 O -29.926 29.631 20.336 1.00 36.52 C -28.491 29.558 19.817 1.00 36.52 C -30.750 30.008 19.242 1.00 36.52 O -32.621 27.692 21.764 1.00 32.63 N -33.804 27.782 22.648 1.00 32.63 C -33.877 26.696 23.735 1.00 32.63 C -34.827 26.687 24.503 1.00 32.63 O -35.079 27.914 21.793 1.00 32.63 C -36.103 28.872 22.425 1.00 32.63 C -37.283 29.094 21.473 1.00 32.63 C -38.254 30.061 22.022 1.00 32.63 N -39.299 30.566 21.388 1.00 32.63 C -39.588 30.230 20.161 1.00 32.63 N1+ -40.082 31.423 21.981 1.00 32.63 N -32.867 25.826 23.821 1.00 34.56 N -32.631 24.894 24.942 1.00 34.56 C -31.460 25.323 25.844 1.00 34.56 C -31.082 24.597 26.754 1.00 34.56 O -32.466 23.462 24.402 1.00 34.56 C -33.726 22.662 24.244 1.00 34.56 C -34.993 23.141 24.225 1.00 34.56 C -33.853 21.208 24.178 1.00 34.56 C -35.240 20.877 24.116 1.00 34.56 C -32.937 20.133 24.195 1.00 34.56 C -35.887 22.093 24.143 1.00 34.56 N -35.698 19.553 24.066 1.00 34.56 C -33.384 18.798 24.146 1.00 34.56 C -34.759 18.507 24.081 1.00 34.56 C -30.904 26.516 25.614 1.00 35.10 N -29.748 27.044 26.340 1.00 35.10 C -30.085 28.235 27.259 1.00 35.10 C -29.178 28.920 27.703 1.00 35.10 O -28.653 27.365 25.315 1.00 35.10 C -31.371 28.501 27.539 1.00 36.88 N -31.808 29.626 28.394 1.00 36.88 C -32.291 29.243 29.799 1.00 36.88 C -32.702 30.129 30.531 1.00 36.88 O -32.782 30.551 27.635 1.00 36.88 C -32.004 31.684 26.950 1.00 36.88 C -32.933 32.766 26.392 1.00 36.88 C -32.063 33.927 25.903 1.00 36.88 C -32.869 35.112 25.530 1.00 36.88 N1+ -32.163 27.970 30.183 1.00 37.33 N -32.504 27.469 31.528 1.00 37.33 C -31.315 26.750 32.218 1.00 37.33 C -31.510 25.908 33.091 1.00 37.33 O -33.777 26.596 31.465 1.00 37.33 C -35.067 27.369 31.151 1.00 37.33 C -35.209 28.523 31.604 1.00 37.33 O -35.926 26.785 30.450 1.00 37.33 O1- -30.067 27.049 31.825 1.00 38.52 N -28.850 26.454 32.410 1.00 38.52 C -27.778 27.488 32.840 1.00 38.52 C -26.636 27.115 33.135 1.00 38.52 O -28.311 25.389 31.443 1.00 38.52 C -28.153 28.771 32.890 1.00 37.44 N -27.307 29.919 33.250 1.00 37.44 C -27.045 29.991 34.762 1.00 37.44 C -27.626 30.802 35.468 1.00 37.44 O -27.941 31.238 32.736 1.00 37.44 C -27.514 31.656 31.328 1.00 37.44 C -26.442 31.197 30.870 1.00 37.44 O -28.271 32.441 30.711 1.00 37.44 O1- -26.167 29.121 35.262 1.00 48.63 N -25.474 29.357 36.545 1.00 48.63 C -24.162 28.562 36.686 1.00 48.63 C -23.321 28.878 37.523 1.00 48.63 O -26.418 29.071 37.741 1.00 48.63 C -26.911 30.327 38.490 1.00 48.63 C -26.299 31.408 38.342 1.00 48.63 O -27.854 30.153 39.298 1.00 48.63 O1- -23.919 27.533 35.855 1.00 41.25 N -22.753 26.637 36.024 1.00 41.25 C -21.520 26.989 35.176 1.00 41.25 C -20.484 26.344 35.311 1.00 41.25 O -23.211 25.181 35.862 1.00 41.25 C -22.273 24.214 36.598 1.00 41.25 C -22.794 22.782 36.534 1.00 41.25 C -21.805 21.892 37.288 1.00 41.25 C -22.233 20.477 37.255 1.00 41.25 N1+ -21.615 27.988 34.302 1.00 44.83 N -20.551 28.323 33.341 1.00 44.83 C -20.248 29.824 33.258 1.00 44.83 C -19.512 30.250 32.368 1.00 44.83 O -20.896 27.718 31.970 1.00 44.83 C -21.093 26.213 32.003 1.00 44.83 C -19.975 25.368 32.121 1.00 44.83 C -22.388 25.659 31.956 1.00 44.83 C -20.138 23.972 32.186 1.00 44.83 C -22.561 24.263 32.027 1.00 44.83 C -21.436 23.419 32.141 1.00 44.83 C -21.592 22.070 32.208 1.00 44.83 O -20.786 30.619 34.191 1.00 42.15 N -20.614 32.071 34.197 1.00 42.15 C -19.131 32.469 34.285 1.00 42.15 C -18.693 33.343 33.541 1.00 42.15 O -21.449 32.677 35.336 1.00 42.15 C -21.744 34.142 35.130 1.00 42.15 C -22.858 34.812 35.562 1.00 42.15 C -20.970 35.047 34.436 1.00 42.15 N -21.608 36.227 34.442 1.00 42.15 C -22.763 36.136 35.118 1.00 42.15 N -18.337 31.750 35.085 1.00 44.05 N -16.904 32.023 35.253 1.00 44.05 C -16.085 31.741 33.981 1.00 44.05 C -15.128 32.450 33.677 1.00 44.05 O -16.363 31.182 36.421 1.00 44.05 C -16.967 31.552 37.780 1.00 44.05 C -17.424 32.704 37.928 1.00 44.05 O -16.979 30.655 38.651 1.00 44.05 O1- -16.482 30.732 33.196 1.00 41.53 N -15.790 30.353 31.953 1.00 41.53 C -16.127 31.340 30.831 1.00 41.53 C -15.239 31.732 30.074 1.00 41.53 O -16.102 28.880 31.590 1.00 41.53 C -15.456 27.955 32.651 1.00 41.53 C -15.598 28.522 30.177 1.00 41.53 C -15.789 26.466 32.501 1.00 41.53 C -17.379 31.797 30.750 1.00 38.91 N -17.788 32.794 29.759 1.00 38.91 C -17.164 34.170 30.041 1.00 38.91 C -16.693 34.823 29.112 1.00 38.91 O -19.322 32.844 29.703 1.00 38.91 C -19.938 31.627 29.031 1.00 38.91 C -21.225 31.431 29.196 1.00 38.91 N -19.302 30.848 28.337 1.00 38.91 O -17.058 34.566 31.314 1.00 47.84 N -16.390 35.814 31.706 1.00 47.84 C -14.881 35.799 31.429 1.00 47.84 C -14.298 36.843 31.145 1.00 47.84 O -16.660 36.103 33.186 1.00 47.84 C -18.038 36.374 33.372 1.00 47.84 O -14.233 34.630 31.452 1.00 44.24 N -12.811 34.509 31.109 1.00 44.24 C -12.562 34.665 29.598 1.00 44.24 C -11.583 35.295 29.201 1.00 44.24 O -12.280 33.175 31.656 1.00 44.24 C -10.779 33.234 31.945 1.00 44.24 C -10.131 31.703 32.670 1.00 44.24 S -8.454 32.249 33.083 1.00 44.24 C -13.471 34.150 28.761 1.00 39.97 N -13.417 34.308 27.303 1.00 39.97 C -13.718 35.740 26.846 1.00 39.97 C -13.048 36.230 25.941 1.00 39.97 O -14.372 33.312 26.626 1.00 39.97 C -13.701 32.024 26.193 1.00 39.97 C -13.105 31.941 24.919 1.00 39.97 C -13.662 30.915 27.059 1.00 39.97 C -12.482 30.747 24.506 1.00 39.97 C -13.035 29.722 26.655 1.00 39.97 C -12.447 29.636 25.374 1.00 39.97 C -11.850 28.481 24.979 1.00 39.97 O -14.675 36.436 27.468 1.00 47.45 N -14.925 37.850 27.151 1.00 47.45 C -13.689 38.704 27.464 1.00 47.45 C -13.171 39.377 26.575 1.00 47.45 O -16.185 38.367 27.868 1.00 47.45 C -17.460 37.946 27.118 1.00 47.45 C -18.752 38.509 27.735 1.00 47.45 C -19.724 38.687 26.963 1.00 47.45 O -18.782 38.723 28.969 1.00 47.45 O1- -13.110 38.569 28.661 1.00 51.25 N -11.957 39.371 29.089 1.00 51.25 C -10.681 39.165 28.249 1.00 51.25 C -9.822 40.045 28.232 1.00 51.25 O -11.688 39.067 30.571 1.00 51.25 C -12.732 39.665 31.497 1.00 51.25 C -12.949 39.073 32.645 1.00 51.25 N -13.345 40.683 31.233 1.00 51.25 O -10.537 38.029 27.557 1.00 42.12 N -9.362 37.740 26.724 1.00 42.12 C -9.477 38.311 25.299 1.00 42.12 C -8.457 38.532 24.647 1.00 42.12 O -9.125 36.221 26.724 1.00 42.12 C -7.706 35.841 26.290 1.00 42.12 C -7.362 34.062 26.410 1.00 42.12 S -5.607 34.054 25.958 1.00 42.12 C -10.699 38.566 24.812 1.00 41.50 N -10.959 38.963 23.420 1.00 41.50 C -11.667 40.315 23.254 1.00 41.50 C -11.756 40.810 22.128 1.00 41.50 O -11.705 37.833 22.696 1.00 41.50 C -10.867 36.583 22.496 1.00 41.50 C -9.851 36.563 21.521 1.00 41.50 C -11.079 35.446 23.296 1.00 41.50 C -9.054 35.416 21.354 1.00 41.50 C -10.277 34.303 23.140 1.00 41.50 C -9.264 34.288 22.167 1.00 41.50 C -12.127 40.958 24.330 1.00 36.58 N -12.557 42.363 24.285 1.00 36.58 C -11.429 43.294 24.723 1.00 36.58 C -10.982 43.200 25.866 1.00 36.58 O -13.812 42.652 25.115 1.00 36.58 C -15.067 42.147 24.413 1.00 36.58 C -13.766 42.061 26.381 1.00 36.58 O -10.988 44.241 23.875 1.00 34.97 N -10.131 45.324 24.328 1.00 34.97 C -10.928 46.167 25.330 1.00 34.97 C -11.968 46.727 24.976 1.00 34.97 O -9.735 46.119 23.074 1.00 34.97 C -10.346 45.361 21.893 1.00 34.97 C -11.414 44.467 22.508 1.00 34.97 C -10.468 46.243 26.580 1.00 39.26 N -11.039 47.124 27.599 1.00 39.26 C -10.878 48.576 27.152 1.00 39.26 C -9.775 49.124 27.133 1.00 39.26 O -10.375 46.876 28.958 1.00 39.26 C -8.968 46.859 28.813 1.00 39.26 O -11.991 49.170 26.740 1.00 30.82 N -12.078 50.537 26.266 1.00 30.82 C -12.338 51.441 27.479 1.00 30.82 C -13.487 51.724 27.791 1.00 30.82 O -13.175 50.575 25.173 1.00 30.82 C -12.858 51.462 23.986 1.00 30.82 C -13.830 51.699 23.136 1.00 30.82 N -11.750 51.910 23.752 1.00 30.82 O -11.279 51.862 28.171 1.00 36.14 N -11.362 52.884 29.215 1.00 36.14 C -10.180 53.859 29.117 1.00 36.14 C -9.051 53.556 29.484 1.00 36.14 O -11.506 52.260 30.619 1.00 36.14 C -12.969 52.050 31.038 1.00 36.14 C -13.784 52.960 30.752 1.00 36.14 O -13.238 51.049 31.737 1.00 36.14 O1- -10.500 55.038 28.574 1.00 30.73 N -10.032 56.373 28.953 1.00 30.73 C -8.531 56.572 29.261 1.00 30.73 C -8.044 56.180 30.313 1.00 30.73 O -10.917 56.833 30.131 1.00 30.73 C -12.392 56.838 29.770 1.00 30.73 C -13.234 56.168 30.521 1.00 30.73 N -12.790 57.416 28.772 1.00 30.73 O -7.848 57.371 28.429 1.00 31.63 N -7.342 58.719 28.783 1.00 31.63 C -6.513 59.276 27.612 1.00 31.63 C -5.587 58.660 27.098 1.00 31.63 O -6.570 58.786 30.132 1.00 31.63 C -5.623 59.988 30.264 1.00 31.63 C -7.537 58.983 31.318 1.00 31.63 C -6.899 60.476 27.187 1.00 26.86 N -6.184 61.385 26.289 1.00 26.86 C -4.720 61.607 26.687 1.00 26.86 C -4.472 61.777 27.875 1.00 26.86 O -6.887 62.744 26.433 1.00 26.86 C -6.959 63.105 27.807 1.00 26.86 O -3.809 61.759 25.715 1.00 30.25 N -2.854 62.886 25.560 1.00 30.25 C -1.806 62.535 24.475 1.00 30.25 C -1.017 61.616 24.631 1.00 30.25 O -2.201 63.351 26.899 1.00 30.25 C -3.140 64.332 27.659 1.00 30.25 C -0.877 64.116 26.717 1.00 30.25 C -2.942 64.309 29.182 1.00 30.25 C -1.881 63.298 23.376 1.00 31.13 N -0.820 63.875 22.525 1.00 31.13 C 0.394 63.031 22.063 1.00 31.13 C 1.201 62.574 22.858 1.00 31.13 O -0.352 65.196 23.172 1.00 31.13 C -1.472 66.229 23.422 1.00 31.13 C -0.975 67.392 24.278 1.00 31.13 C -2.008 66.807 22.109 1.00 31.13 C 0.523 62.968 20.726 1.00 28.34 N 1.725 63.222 19.900 1.00 28.34 C 3.088 63.163 20.620 1.00 28.34 C 3.349 64.014 21.462 1.00 28.34 O 1.576 64.638 19.283 1.00 28.34 C 0.395 64.808 18.309 1.00 28.34 C 0.167 66.253 17.853 1.00 28.34 C -0.655 66.467 16.849 1.00 28.34 N 0.655 67.226 18.397 1.00 28.34 O 3.994 62.263 20.221 1.00 30.04 N 5.098 62.580 19.293 1.00 30.04 C 5.997 61.349 19.029 1.00 30.04 C 5.949 60.341 19.731 1.00 30.04 O 5.977 63.781 19.737 1.00 30.04 C 6.405 64.681 18.567 1.00 30.04 C 6.197 64.266 17.404 1.00 30.04 O 6.904 65.793 18.848 1.00 30.04 O1- 6.777 61.446 17.960 1.00 28.71 N 7.652 60.464 17.314 1.00 28.71 C 8.722 59.780 18.201 1.00 28.71 C 9.307 60.392 19.091 1.00 28.71 O 8.394 61.239 16.208 1.00 28.71 C 7.472 61.871 15.145 1.00 28.71 C 8.226 62.750 14.130 1.00 28.71 C 7.640 62.993 13.048 1.00 28.71 O 9.408 63.091 14.370 1.00 28.71 O1- 9.110 58.539 17.852 1.00 28.02 N 10.444 58.019 18.202 1.00 28.02 C 10.567 56.515 18.476 1.00 28.02 C 10.199 56.038 19.539 1.00 28.02 O 11.161 55.799 17.508 1.00 31.16 N 11.919 54.527 17.596 1.00 31.16 C 11.975 53.810 18.962 1.00 31.16 C 12.594 54.322 19.887 1.00 31.16 O 13.386 54.846 17.237 1.00 31.16 C 13.635 55.252 15.780 1.00 31.16 C 15.100 55.676 15.618 1.00 31.16 C 15.406 55.986 14.152 1.00 31.16 C 16.785 56.506 13.993 1.00 31.16 N1+ 11.561 52.541 19.013 1.00 29.87 N 12.302 51.499 19.753 1.00 29.87 C 11.839 50.084 19.381 1.00 29.87 C 10.754 49.885 18.842 1.00 29.87 O 12.287 51.689 21.277 1.00 29.87 C 10.986 51.909 21.765 1.00 29.87 O 12.755 49.145 19.589 1.00 30.01 N 12.845 47.792 19.050 1.00 30.01 C 11.642 46.873 19.326 1.00 30.01 C 11.140 46.778 20.446 1.00 30.01 O 14.130 47.185 19.636 1.00 30.01 C 15.366 47.998 19.237 1.00 30.01 C 15.604 48.102 18.013 1.00 30.01 O 16.010 48.580 20.137 1.00 30.01 O1- 11.220 46.125 18.299 1.00 34.50 N 10.299 44.999 18.464 1.00 34.50 C 11.019 43.858 19.190 1.00 34.50 C 11.857 43.155 18.623 1.00 34.50 O 9.718 44.539 17.116 1.00 34.50 C 8.376 45.162 16.780 1.00 34.50 C 7.188 44.536 17.210 1.00 34.50 C 8.311 46.363 16.048 1.00 34.50 C 5.936 45.104 16.904 1.00 34.50 C 7.060 46.931 15.735 1.00 34.50 C 5.872 46.303 16.161 1.00 34.50 C 4.669 46.855 15.856 1.00 34.50 O 10.664 43.690 20.458 1.00 34.87 N 11.144 42.636 21.339 1.00 34.87 C 10.643 41.260 20.859 1.00 34.87 C 9.492 40.864 21.064 1.00 34.87 O 10.704 42.989 22.768 1.00 34.87 C 11.430 42.189 23.846 1.00 34.87 C 12.265 41.322 23.482 1.00 34.87 O 11.110 42.437 25.028 1.00 34.87 O1- 11.523 40.532 20.171 1.00 42.07 N 11.274 39.198 19.597 1.00 42.07 C 11.048 38.116 20.659 1.00 42.07 C 10.582 37.029 20.324 1.00 42.07 O 12.416 38.780 18.645 1.00 42.07 C 12.161 39.250 17.214 1.00 42.07 C 13.654 39.350 19.018 1.00 42.07 O 11.298 38.406 21.940 1.00 40.99 N 11.129 37.445 23.043 1.00 40.99 C 9.679 37.278 23.516 1.00 40.99 C 9.325 36.217 24.025 1.00 40.99 O 12.023 37.809 24.234 1.00 40.99 C 13.513 37.746 23.905 1.00 40.99 C 11.711 39.082 24.748 1.00 40.99 O 8.800 38.269 23.300 1.00 39.96 N 7.363 38.160 23.639 1.00 39.96 C 6.548 37.363 22.619 1.00 39.96 C 5.520 36.793 22.969 1.00 39.96 O 6.752 39.556 23.827 1.00 39.96 C 6.873 40.028 25.279 1.00 39.96 C 6.215 41.401 25.435 1.00 39.96 C 6.259 41.828 26.902 1.00 39.96 C 5.717 43.197 27.071 1.00 39.96 N1+ 6.988 37.326 21.362 1.00 41.84 N 6.301 36.572 20.316 1.00 41.84 C 6.487 35.055 20.493 1.00 41.84 C 5.531 34.303 20.314 1.00 41.84 O 6.793 37.068 18.952 1.00 41.84 C 7.679 34.613 20.918 1.00 49.74 N 7.952 33.190 21.155 1.00 49.74 C 7.186 32.635 22.356 1.00 49.74 C 6.722 31.501 22.296 1.00 49.74 O 9.456 32.934 21.307 1.00 49.74 C 9.983 33.535 22.474 1.00 49.74 O 6.984 33.430 23.418 1.00 60.08 N 6.201 32.974 24.577 1.00 60.08 C 4.726 32.776 24.221 1.00 60.08 C 4.110 31.817 24.666 1.00 60.08 O 6.366 33.910 25.784 1.00 60.08 C 5.520 35.045 25.730 1.00 60.08 O 4.164 33.638 23.365 1.00 61.94 N 2.758 33.545 22.969 1.00 61.94 C 2.487 32.342 22.048 1.00 61.94 C 1.437 31.714 22.157 1.00 61.94 O 2.322 34.882 22.346 1.00 61.94 C 0.818 35.123 22.521 1.00 61.94 C 0.284 36.824 22.165 1.00 61.94 S -0.030 36.707 20.387 1.00 61.94 C 3.429 31.977 21.171 1.00 62.57 N 3.339 30.747 20.366 1.00 62.57 C 3.467 29.477 21.220 1.00 62.57 C 2.730 28.509 21.001 1.00 62.57 O 4.415 30.736 19.268 1.00 62.57 C 4.057 31.655 18.091 1.00 62.57 C 5.074 31.598 16.936 1.00 62.57 C 4.735 32.132 15.855 1.00 62.57 O 6.168 31.014 17.112 1.00 62.57 O1- 4.358 29.481 22.216 1.00 68.04 N 4.491 28.388 23.183 1.00 68.04 C 3.221 28.225 24.029 1.00 68.04 C 2.732 27.102 24.172 1.00 68.04 O 5.728 28.603 24.070 1.00 68.04 C 7.030 28.288 23.312 1.00 68.04 C 8.308 28.521 24.139 1.00 68.04 C 9.401 28.271 23.578 1.00 68.04 O 8.213 28.894 25.330 1.00 68.04 O1- 2.627 29.329 24.492 1.00 70.19 N 1.374 29.336 25.253 1.00 70.19 C 0.189 28.826 24.412 1.00 70.19 C -0.611 28.015 24.886 1.00 70.19 O 1.085 30.755 25.779 1.00 70.19 C 2.002 31.213 26.923 1.00 70.19 C 2.535 30.338 27.642 1.00 70.19 O 2.088 32.449 27.123 1.00 70.19 O1- 0.091 29.222 23.135 1.00 71.39 N -0.937 28.716 22.205 1.00 71.39 C -0.737 27.220 21.929 1.00 71.39 C -1.706 26.459 21.864 1.00 71.39 O -0.942 29.548 20.899 1.00 71.39 C -1.507 30.962 21.168 1.00 71.39 C -1.772 28.869 19.788 1.00 71.39 C -1.233 31.964 20.039 1.00 71.39 C 0.509 26.770 21.771 1.00 69.71 N 0.841 25.355 21.577 1.00 69.71 C 0.496 24.517 22.814 1.00 69.71 C -0.117 23.451 22.692 1.00 69.71 O 2.326 25.236 21.232 1.00 69.71 C 2.662 23.905 20.885 1.00 69.71 O 0.811 25.025 24.009 1.00 71.67 N 0.452 24.412 25.283 1.00 71.67 C -1.071 24.339 25.459 1.00 71.67 C -1.600 23.263 25.731 1.00 71.67 O 1.126 25.196 26.414 1.00 71.67 C -1.789 25.430 25.182 1.00 73.20 N -3.249 25.464 25.231 1.00 73.20 C -3.888 24.490 24.235 1.00 73.20 C -4.798 23.748 24.595 1.00 73.20 O -3.731 26.895 24.976 1.00 73.20 C -5.235 27.041 25.092 1.00 73.20 C -6.042 27.074 23.938 1.00 73.20 C -5.830 27.120 26.364 1.00 73.20 C -7.438 27.202 24.060 1.00 73.20 C -7.224 27.248 26.485 1.00 73.20 C -8.028 27.294 25.333 1.00 73.20 C -3.387 24.413 22.998 1.00 70.36 N -3.870 23.450 22.005 1.00 70.36 C -3.627 22.004 22.445 1.00 70.36 C -4.488 21.149 22.239 1.00 70.36 O -3.187 23.722 20.656 1.00 70.36 C -3.782 24.908 19.923 1.00 70.36 C -3.012 25.557 19.084 1.00 70.36 N -4.953 25.228 20.039 1.00 70.36 O -2.478 21.721 23.069 1.00 70.20 N -2.159 20.406 23.635 1.00 70.20 C -3.079 20.063 24.804 1.00 70.20 C -3.568 18.937 24.865 1.00 70.20 O -0.684 20.407 24.046 1.00 70.20 C -0.205 19.043 24.555 1.00 70.20 C 1.262 19.171 24.968 1.00 70.20 C 1.791 17.852 25.528 1.00 70.20 C 3.183 18.029 26.004 1.00 70.20 N1+ -3.361 21.018 25.682 1.00 66.84 N -4.274 20.838 26.808 1.00 66.84 C -5.722 20.686 26.348 1.00 66.84 C -6.424 19.824 26.865 1.00 66.84 O -4.108 21.984 27.813 1.00 66.84 C -2.820 21.858 28.635 1.00 66.84 C -2.218 20.751 28.634 1.00 66.84 O -2.480 22.852 29.308 1.00 66.84 O1- -6.150 21.406 25.308 1.00 65.10 N -7.448 21.221 24.659 1.00 65.10 C -7.541 19.832 24.005 1.00 65.10 C -8.542 19.136 24.163 1.00 65.10 O -7.653 22.345 23.623 1.00 65.10 C -9.134 22.593 23.295 1.00 65.10 C -9.748 23.599 24.271 1.00 65.10 C -9.296 23.136 21.876 1.00 65.10 C -6.484 19.389 23.315 1.00 56.76 N -6.404 18.051 22.719 1.00 56.76 C -6.437 16.957 23.788 1.00 56.76 C -7.106 15.937 23.616 1.00 56.76 O -5.128 17.927 21.871 1.00 56.76 C -5.257 16.969 20.707 1.00 56.76 C -4.991 15.595 20.861 1.00 56.76 C -5.631 17.478 19.449 1.00 56.76 C -5.114 14.728 19.757 1.00 56.76 C -5.736 16.622 18.340 1.00 56.76 C -5.480 15.243 18.495 1.00 56.76 C -5.575 14.419 17.419 1.00 56.76 O -5.756 17.173 24.912 1.00 54.84 N -5.843 16.306 26.076 1.00 54.84 C -7.264 16.341 26.645 1.00 54.84 C -7.829 15.279 26.852 1.00 54.84 O -4.776 16.704 27.107 1.00 54.84 C -3.364 16.327 26.688 1.00 54.84 C -2.371 17.000 27.221 1.00 54.84 N -3.125 15.400 25.925 1.00 54.84 O -7.892 17.508 26.802 1.00 53.85 N -9.236 17.671 27.369 1.00 53.85 C -10.322 16.981 26.539 1.00 53.85 C -11.143 16.248 27.089 1.00 53.85 O -9.521 19.161 27.587 1.00 53.85 C -10.686 19.419 28.518 1.00 53.85 C -11.969 19.680 28.001 1.00 53.85 C -10.482 19.400 29.911 1.00 53.85 C -13.042 19.925 28.877 1.00 53.85 C -11.556 19.642 30.785 1.00 53.85 C -12.836 19.906 30.268 1.00 53.85 C -10.270 17.093 25.209 1.00 48.10 N -11.145 16.327 24.312 1.00 48.10 C -10.903 14.808 24.386 1.00 48.10 C -11.811 14.031 24.093 1.00 48.10 O -10.994 16.840 22.871 1.00 48.10 C -11.902 18.012 22.543 1.00 48.10 C -13.264 17.780 22.270 1.00 48.10 C -11.401 19.327 22.511 1.00 48.10 C -14.119 18.858 21.970 1.00 48.10 C -12.254 20.411 22.230 1.00 48.10 C -13.617 20.176 21.957 1.00 48.10 C -14.447 21.212 21.675 1.00 48.10 O -9.710 14.372 24.805 1.00 48.44 N -9.347 12.962 24.972 1.00 48.44 C -9.404 12.461 26.434 1.00 48.44 C -9.255 11.258 26.660 1.00 48.44 O -7.967 12.732 24.334 1.00 48.44 C -7.990 12.792 22.815 1.00 48.44 C -7.086 13.524 22.218 1.00 48.44 N -8.785 12.159 22.138 1.00 48.44 O -9.665 13.331 27.421 1.00 39.75 N -9.568 13.049 28.870 1.00 39.75 C -10.636 12.039 29.359 1.00 39.75 C -10.532 11.523 30.468 1.00 39.75 O -9.473 14.397 29.663 1.00 39.75 C -7.996 14.814 29.889 1.00 39.75 C -10.141 14.390 31.051 1.00 39.75 C -7.754 16.303 30.211 1.00 39.75 C -11.606 11.650 28.520 1.00 37.01 N -12.615 10.622 28.836 1.00 37.01 C -12.484 9.273 28.110 1.00 37.01 C -13.169 8.327 28.485 1.00 37.01 O -11.634 9.157 27.083 1.00 43.31 N -11.463 7.943 26.269 1.00 43.31 C -10.056 7.934 25.662 1.00 43.31 C -9.882 8.194 24.469 1.00 43.31 O -12.517 7.866 25.138 1.00 43.31 C -13.906 7.398 25.523 1.00 43.31 C -14.230 6.027 25.470 1.00 43.31 C -14.890 8.338 25.882 1.00 43.31 C -15.533 5.597 25.788 1.00 43.31 C -16.189 7.912 26.215 1.00 43.31 C -16.511 6.538 26.169 1.00 43.31 C -17.764 6.121 26.484 1.00 43.31 O -9.024 7.617 26.447 1.00 54.06 N -7.750 7.236 25.844 1.00 54.06 C -8.019 6.019 24.945 1.00 54.06 C -8.301 4.928 25.443 1.00 54.06 O -6.713 6.954 26.937 1.00 54.06 C -8.021 6.223 23.620 1.00 73.73 N -8.284 5.175 22.627 1.00 73.73 C -7.366 3.992 22.923 1.00 73.73 C -6.156 4.084 22.725 1.00 73.73 O -8.032 5.718 21.210 1.00 73.73 C -9.127 6.683 20.731 1.00 73.73 C -8.780 7.220 19.336 1.00 73.73 C -9.947 8.030 18.763 1.00 73.73 C -9.681 8.460 17.366 1.00 73.73 N1+ -7.924 2.897 23.437 1.00 88.01 N -7.122 1.738 23.805 1.00 88.01 C -6.586 1.086 22.530 1.00 88.01 C -7.330 0.490 21.751 1.00 88.01 O -7.925 0.766 24.679 1.00 88.01 C -7.024 -0.368 25.200 1.00 88.01 C -7.757 -1.348 26.111 1.00 88.01 C -7.047 -2.230 26.779 1.00 88.01 N -8.967 -1.357 26.244 1.00 88.01 O -5.281 1.231 22.318 1.00 92.39 N -4.583 0.646 21.178 1.00 92.39 C -4.406 -0.850 21.428 1.00 92.39 C -3.906 -1.248 22.483 1.00 92.39 O -3.234 1.348 20.934 1.00 92.39 C -3.417 2.881 20.827 1.00 92.39 C -2.589 0.767 19.668 1.00 92.39 C -2.129 3.670 20.572 1.00 92.39 C -4.802 -1.670 20.456 1.00 94.75 N -4.684 -3.122 20.552 1.00 94.75 C -3.225 -3.584 20.526 1.00 94.75 C -2.415 -3.096 19.734 1.00 94.75 O -5.452 -3.802 19.416 1.00 94.75 C -6.967 -3.642 19.564 1.00 94.75 C -7.916 -4.648 18.394 1.00 94.75 S -7.312 -3.929 16.849 1.00 94.75 C -2.911 -4.598 21.329 1.00 95.76 N -1.686 -5.378 21.164 1.00 95.76 C -1.742 -6.247 19.900 1.00 95.76 C -2.814 -6.539 19.364 1.00 95.76 O -1.426 -6.255 22.394 1.00 95.76 C -2.338 -7.338 22.433 1.00 95.76 O -0.585 -6.742 19.465 1.00 95.76 N -0.460 -7.704 18.374 1.00 95.76 C -1.348 -8.950 18.570 1.00 95.76 C -2.028 -9.381 17.640 1.00 95.76 O 1.019 -8.089 18.297 1.00 95.76 C -1.401 -9.487 19.796 1.00 95.53 N -2.223 -10.655 20.137 1.00 95.53 C -3.723 -10.349 20.130 1.00 95.53 C -4.523 -11.165 19.672 1.00 95.53 O -1.801 -11.218 21.499 1.00 95.53 C -1.888 -10.249 22.536 1.00 95.53 O -4.128 -9.160 20.588 1.00 95.93 N -5.520 -8.713 20.504 1.00 95.93 C -5.957 -8.544 19.045 1.00 95.93 C -7.021 -9.042 18.674 1.00 95.93 O -5.694 -7.398 21.275 1.00 95.93 C -5.654 -7.599 22.797 1.00 95.93 C -5.655 -6.268 23.543 1.00 95.93 C -6.331 -6.168 24.665 1.00 95.93 N -5.057 -5.287 23.134 1.00 95.93 O -5.118 -7.915 18.211 1.00 96.82 N -5.367 -7.771 16.776 1.00 96.82 C -5.503 -9.139 16.090 1.00 96.82 C -6.404 -9.340 15.278 1.00 96.82 O -4.245 -6.928 16.135 1.00 96.82 C -4.382 -6.797 14.604 1.00 96.82 C -5.645 -6.044 14.185 1.00 96.82 C -3.194 -6.068 13.992 1.00 96.82 C -4.643 -10.099 16.418 1.00 96.36 N -4.733 -11.446 15.855 1.00 96.36 C -6.064 -12.126 16.205 1.00 96.36 C -6.756 -12.644 15.320 1.00 96.36 O -3.528 -12.264 16.331 1.00 96.36 C -3.562 -13.675 15.737 1.00 96.36 C -2.338 -14.522 16.085 1.00 96.36 C -2.347 -15.678 15.595 1.00 96.36 O -1.421 -14.029 16.768 1.00 96.36 O1- -6.460 -12.065 17.479 1.00 95.89 N -7.700 -12.664 17.962 1.00 95.89 C -8.933 -12.066 17.270 1.00 95.89 C -9.774 -12.813 16.763 1.00 95.89 O -7.765 -12.501 19.491 1.00 95.89 C -6.795 -13.413 20.223 1.00 95.89 C -6.425 -13.075 21.434 1.00 95.89 N -6.401 -14.463 19.747 1.00 95.89 O -9.038 -10.733 17.191 1.00 94.64 N -10.208 -10.076 16.585 1.00 94.64 C -10.269 -10.289 15.067 1.00 94.64 C -11.342 -10.524 14.510 1.00 94.64 O -10.299 -8.575 16.945 1.00 94.64 C -9.124 -7.716 16.426 1.00 94.64 C -10.453 -8.379 18.461 1.00 94.64 C -9.584 -6.516 15.600 1.00 94.64 C -9.125 -10.278 14.376 1.00 95.00 N -9.080 -10.446 12.920 1.00 95.00 C -9.409 -11.884 12.528 1.00 95.00 C -10.045 -12.084 11.490 1.00 95.00 O -7.727 -9.981 12.353 1.00 95.00 C -7.554 -10.325 10.873 1.00 95.00 C -7.615 -8.456 12.443 1.00 95.00 C -9.050 -12.883 13.337 1.00 94.12 N -9.415 -14.289 13.096 1.00 94.12 C -10.821 -14.641 13.593 1.00 94.12 C -11.381 -15.648 13.159 1.00 94.12 O -8.345 -15.201 13.713 1.00 94.12 C -7.005 -15.089 12.964 1.00 94.12 C -5.929 -15.983 13.596 1.00 94.12 C -4.613 -15.842 12.819 1.00 94.12 C -3.510 -16.631 13.422 1.00 94.12 N1+ -11.428 -13.819 14.448 1.00 91.77 N -12.805 -14.007 14.887 1.00 91.77 C -13.822 -13.726 13.765 1.00 91.77 C -13.601 -12.930 12.845 1.00 91.77 O -13.066 -13.158 16.136 1.00 91.77 C -14.977 -14.397 13.840 1.00 90.01 N -16.146 -14.050 13.020 1.00 90.01 C -16.805 -12.796 13.583 1.00 90.01 C -16.780 -12.580 14.789 1.00 90.01 O -17.165 -15.192 12.983 1.00 90.01 C -16.640 -16.444 12.272 1.00 90.01 C -17.737 -17.512 12.285 1.00 90.01 C -17.237 -18.821 11.674 1.00 90.01 C -18.267 -19.881 11.808 1.00 90.01 N1+ -17.443 -12.023 12.716 1.00 89.26 N -18.177 -10.828 13.112 1.00 89.26 C -17.795 -9.598 12.307 1.00 89.26 C -17.074 -9.670 11.306 1.00 89.26 O -18.340 -8.470 12.757 1.00 92.94 N -18.212 -7.161 12.124 1.00 92.94 C -17.532 -6.213 13.088 1.00 92.94 C -17.853 -6.230 14.268 1.00 92.94 O -19.592 -6.615 11.726 1.00 92.94 C -20.339 -7.562 10.784 1.00 92.94 C -21.741 -7.043 10.475 1.00 92.94 C -22.457 -8.048 9.677 1.00 92.94 N -23.735 -8.030 9.367 1.00 92.94 C -24.513 -7.037 9.639 1.00 92.94 N1+ -24.274 -9.046 8.769 1.00 92.94 N -16.623 -5.393 12.586 1.00 95.22 N -15.926 -4.391 13.385 1.00 95.22 C -15.379 -3.282 12.491 1.00 95.22 C -15.254 -3.449 11.270 1.00 95.22 O -14.816 -5.055 14.211 1.00 95.22 C -13.815 -5.879 13.429 1.00 95.22 C -13.857 -7.284 13.488 1.00 95.22 C -12.816 -5.241 12.675 1.00 95.22 C -12.871 -8.044 12.838 1.00 95.22 C -11.846 -6.001 12.003 1.00 95.22 C -11.853 -7.400 12.114 1.00 95.22 C -15.027 -2.168 13.122 1.00 97.38 N -14.258 -1.084 12.513 1.00 97.38 C -12.853 -1.091 13.112 1.00 97.38 C -12.705 -1.230 14.322 1.00 97.38 O -14.951 0.276 12.704 1.00 97.38 C -14.215 1.391 11.953 1.00 97.38 C -16.409 0.252 12.220 1.00 97.38 C -11.823 -0.939 12.286 1.00 97.78 N -10.457 -0.643 12.727 1.00 97.78 C -10.105 0.761 12.247 1.00 97.78 C -10.308 1.089 11.080 1.00 97.78 O -9.441 -1.705 12.239 1.00 97.78 C -9.725 -3.071 12.902 1.00 97.78 C -7.996 -1.270 12.561 1.00 97.78 C -8.855 -4.227 12.386 1.00 97.78 C -9.535 1.578 13.124 1.00 98.01 N -8.865 2.816 12.748 1.00 98.01 C -7.370 2.683 13.048 1.00 98.01 C -6.975 2.497 14.200 1.00 98.01 O -9.533 4.001 13.464 1.00 98.01 C -8.861 5.331 13.088 1.00 98.01 C -9.491 6.572 13.718 1.00 98.01 C -9.001 7.740 13.370 1.00 98.01 N -10.395 6.545 14.541 1.00 98.01 O -6.537 2.797 12.013 1.00 98.07 N -5.098 2.972 12.193 1.00 98.07 C -4.802 4.397 12.655 1.00 98.07 C -5.322 5.360 12.088 1.00 98.07 O -4.335 2.685 10.904 1.00 98.07 C -2.954 2.702 11.191 1.00 98.07 O -3.976 4.517 13.690 1.00 97.05 N -3.431 5.773 14.199 1.00 97.05 C -2.036 6.072 13.626 1.00 97.05 C -1.507 7.150 13.874 1.00 97.05 O -3.402 5.727 15.739 1.00 97.05 C -4.754 5.458 16.427 1.00 97.05 C -4.570 5.496 17.945 1.00 97.05 C -5.830 6.484 16.055 1.00 97.05 C -1.443 5.141 12.869 1.00 97.11 N -0.169 5.367 12.181 1.00 97.11 C -0.392 6.094 10.857 1.00 97.11 C -1.336 5.800 10.117 1.00 97.11 O 0.570 4.049 11.950 1.00 97.11 C 1.751 4.259 11.199 1.00 97.11 O 0.520 7.010 10.542 1.00 97.90 N 0.600 7.693 9.246 1.00 97.90 C 1.502 6.960 8.249 1.00 97.90 C 1.591 7.359 7.089 1.00 97.90 O 1.052 9.147 9.418 1.00 97.90 C 0.042 9.960 10.230 1.00 97.90 C 2.278 9.169 10.108 1.00 97.90 O 2.151 5.864 8.654 1.00 98.05 N 3.061 5.106 7.798 1.00 98.05 C 2.294 4.374 6.688 1.00 98.05 C 1.512 3.454 6.969 1.00 98.05 O 3.874 4.126 8.644 1.00 98.05 C 4.683 3.279 7.842 1.00 98.05 O 2.525 4.705 5.400 1.00 98.12 N 1.839 4.035 4.300 1.00 98.12 C 2.190 2.544 4.213 1.00 98.12 C 1.348 1.734 3.820 1.00 98.12 O 2.256 4.812 3.049 1.00 98.12 C 3.616 5.409 3.407 1.00 98.12 C 3.452 5.712 4.892 1.00 98.12 C 3.406 2.169 4.622 1.00 98.34 N 3.862 0.782 4.655 1.00 98.34 C 3.085 -0.036 5.685 1.00 98.34 C 2.555 -1.097 5.348 1.00 98.34 O 5.368 0.750 4.947 1.00 98.34 C 6.205 1.408 3.867 1.00 98.34 C 6.324 0.774 2.619 1.00 98.34 C 6.850 2.641 4.092 1.00 98.34 C 7.102 1.353 1.599 1.00 98.34 C 7.630 3.227 3.070 1.00 98.34 C 7.767 2.575 1.824 1.00 98.34 C 8.556 3.071 0.831 1.00 98.34 O 2.961 0.478 6.912 1.00 98.47 N 2.187 -0.177 7.963 1.00 98.47 C 0.706 -0.274 7.583 1.00 98.47 C 0.113 -1.345 7.678 1.00 98.47 O 2.357 0.579 9.283 1.00 98.47 C 1.461 0.027 10.370 1.00 98.47 C 0.264 0.694 10.687 1.00 98.47 C 1.785 -1.190 11.000 1.00 98.47 C -0.612 0.154 11.643 1.00 98.47 C 0.895 -1.750 11.935 1.00 98.47 C -0.303 -1.080 12.248 1.00 98.47 C -1.180 -1.632 13.118 1.00 98.47 O 0.113 0.808 7.077 1.00 98.58 N -1.314 0.847 6.764 1.00 98.58 C -1.716 -0.135 5.650 1.00 98.58 C -2.718 -0.844 5.779 1.00 98.58 O -1.680 2.300 6.430 1.00 98.58 C -1.714 3.185 7.666 1.00 98.58 C -1.543 4.473 7.522 1.00 98.58 N -1.966 2.725 8.768 1.00 98.58 O -0.918 -0.248 4.580 1.00 98.41 N -1.165 -1.249 3.534 1.00 98.41 C -0.873 -2.681 4.008 1.00 98.41 C -1.561 -3.618 3.589 1.00 98.41 O -0.344 -0.918 2.276 1.00 98.41 C -0.757 0.350 1.508 1.00 98.41 C 0.005 0.386 0.179 1.00 98.41 C -2.253 0.411 1.190 1.00 98.41 C 0.111 -2.870 4.890 1.00 98.49 N 0.373 -4.162 5.517 1.00 98.49 C -0.779 -4.593 6.439 1.00 98.49 C -1.208 -5.746 6.373 1.00 98.49 O 1.704 -4.085 6.263 1.00 98.49 C -1.340 -3.667 7.222 1.00 98.41 N -2.511 -3.882 8.069 1.00 98.41 C -3.742 -4.257 7.232 1.00 98.41 C -4.395 -5.253 7.538 1.00 98.41 O -2.748 -2.620 8.921 1.00 98.41 C -3.967 -2.701 9.860 1.00 98.41 C -3.808 -3.789 10.925 1.00 98.41 C -4.168 -1.360 10.564 1.00 98.41 C -4.033 -3.537 6.140 1.00 98.39 N -5.116 -3.901 5.209 1.00 98.39 C -4.941 -5.336 4.687 1.00 98.39 C -5.875 -6.147 4.721 1.00 98.39 O -5.185 -2.902 4.032 1.00 98.39 C -6.317 -3.264 3.052 1.00 98.39 C -6.421 -2.322 1.844 1.00 98.39 C -7.363 -1.501 1.832 1.00 98.39 O -5.662 -2.492 0.855 1.00 98.39 O1- -3.725 -5.674 4.245 1.00 97.77 N -3.413 -7.005 3.741 1.00 97.77 C -3.553 -8.084 4.827 1.00 97.77 C -4.115 -9.148 4.557 1.00 97.77 O -2.010 -6.977 3.125 1.00 97.77 C -1.656 -8.297 2.464 1.00 97.77 C -0.636 -8.965 2.954 1.00 97.77 N -2.292 -8.742 1.513 1.00 97.77 O -3.100 -7.806 6.051 1.00 98.02 N -3.222 -8.701 7.200 1.00 98.02 C -4.687 -8.977 7.546 1.00 98.02 C -5.101 -10.141 7.612 1.00 98.02 O -2.487 -8.095 8.404 1.00 98.02 C -2.609 -8.951 9.647 1.00 98.02 C -3.576 -8.665 10.632 1.00 98.02 C -1.767 -10.066 9.792 1.00 98.02 C -3.708 -9.512 11.750 1.00 98.02 C -1.878 -10.895 10.920 1.00 98.02 C -2.858 -10.627 11.895 1.00 98.02 C -2.961 -11.426 12.983 1.00 98.02 O -5.496 -7.919 7.687 1.00 97.38 N -6.930 -8.031 7.983 1.00 97.38 C -7.620 -8.839 6.887 1.00 97.38 C -8.369 -9.772 7.185 1.00 97.38 O -7.589 -6.648 8.177 1.00 97.38 C -9.098 -6.772 8.438 1.00 97.38 C -7.018 -5.912 9.397 1.00 97.38 C -7.328 -8.562 5.614 1.00 96.68 N -7.901 -9.299 4.489 1.00 96.68 C -7.500 -10.781 4.467 1.00 96.68 C -8.357 -11.660 4.308 1.00 96.68 O -7.505 -8.605 3.184 1.00 96.68 C -8.001 -9.342 1.958 1.00 96.68 C -7.102 -10.060 1.149 1.00 96.68 C -9.374 -9.341 1.650 1.00 96.68 C -7.576 -10.758 0.024 1.00 96.68 C -9.838 -10.003 0.505 1.00 96.68 C -8.943 -10.716 -0.307 1.00 96.68 C -6.210 -11.087 4.649 1.00 95.67 N -5.685 -12.460 4.634 1.00 95.67 C -6.313 -13.299 5.746 1.00 95.67 C -6.827 -14.380 5.451 1.00 95.67 O -4.152 -12.407 4.740 1.00 95.67 C -3.480 -13.782 4.583 1.00 95.67 C -1.963 -13.637 4.767 1.00 95.67 C -1.234 -14.986 4.766 1.00 95.67 C 0.122 -14.838 5.351 1.00 95.67 N1+ -6.384 -12.756 6.960 1.00 95.71 N -6.830 -13.467 8.159 1.00 95.71 C -8.347 -13.397 8.424 1.00 95.71 C -8.849 -14.130 9.271 1.00 95.71 O -5.958 -12.996 9.336 1.00 95.71 C -4.574 -13.612 9.277 1.00 95.71 C -3.523 -12.843 9.125 1.00 95.71 N -4.455 -14.823 9.337 1.00 95.71 O -9.113 -12.602 7.663 1.00 94.77 N -10.588 -12.621 7.734 1.00 94.77 C -11.130 -14.033 7.438 1.00 94.77 C -10.805 -14.588 6.380 1.00 94.77 O -11.223 -11.608 6.761 1.00 94.77 C -12.754 -11.666 6.749 1.00 94.77 C -10.902 -10.285 7.103 1.00 94.77 O -11.981 -14.628 8.299 1.00 92.06 N -12.566 -15.943 8.055 1.00 92.06 C -13.493 -15.958 6.840 1.00 92.06 C -14.275 -15.034 6.613 1.00 92.06 O -13.330 -16.326 9.327 1.00 92.06 C -12.638 -15.495 10.396 1.00 92.06 C -12.280 -14.212 9.660 1.00 92.06 C -13.462 -17.056 6.080 1.00 86.79 N -14.394 -17.275 4.967 1.00 86.79 C -15.792 -17.575 5.506 1.00 86.79 C -15.972 -18.538 6.255 1.00 86.79 O -13.907 -18.417 4.063 1.00 86.79 C -12.594 -18.073 3.343 1.00 86.79 C -12.096 -19.243 2.484 1.00 86.79 C -13.016 -19.546 1.369 1.00 86.79 N -12.917 -20.548 0.514 1.00 86.79 C -11.957 -21.430 0.590 1.00 86.79 N1+ -13.794 -20.684 -0.441 1.00 86.79 N -16.788 -16.811 5.075 1.00 72.30 N -18.182 -17.136 5.339 1.00 72.30 C -18.621 -18.268 4.390 1.00 72.30 C -18.897 -18.030 3.224 1.00 72.30 O -19.019 -15.856 5.201 1.00 72.30 C -18.637 -19.526 4.857 1.00 66.38 N -19.251 -20.638 4.094 1.00 66.38 C -20.770 -20.685 4.290 1.00 66.38 C -21.503 -21.017 3.368 1.00 66.38 O -18.618 -21.993 4.456 1.00 66.38 C -17.186 -22.175 3.922 1.00 66.38 C -16.699 -23.609 4.196 1.00 66.38 C -15.279 -23.850 3.665 1.00 66.38 C -14.826 -25.246 3.923 1.00 66.38 N1+ -21.217 -20.392 5.516 1.00 62.52 N -22.608 -20.279 5.979 1.00 62.52 C -22.614 -19.323 7.180 1.00 62.52 C -21.685 -19.388 7.988 1.00 62.52 O -23.170 -21.660 6.390 1.00 62.52 C -23.323 -22.645 5.215 1.00 62.52 C -24.006 -23.955 5.625 1.00 62.52 C -24.210 -24.833 4.453 1.00 62.52 N -24.209 -26.157 4.423 1.00 62.52 C -23.976 -26.881 5.483 1.00 62.52 N1+ -24.452 -26.790 3.310 1.00 62.52 N -23.626 -18.464 7.296 1.00 59.86 N -23.766 -17.495 8.392 1.00 59.86 C -23.633 -16.028 7.958 1.00 59.86 C -23.482 -15.752 6.765 1.00 59.86 O -23.731 -15.081 8.910 1.00 63.04 N -23.643 -13.659 8.611 1.00 63.04 C -22.274 -13.313 8.021 1.00 63.04 C -21.255 -13.910 8.363 1.00 63.04 O -23.922 -12.931 9.931 1.00 63.04 C -23.491 -13.944 10.989 1.00 63.04 C -23.840 -15.288 10.349 1.00 63.04 C -22.267 -12.338 7.115 1.00 78.41 N -21.033 -11.872 6.489 1.00 78.41 C -20.119 -11.196 7.523 1.00 78.41 C -20.592 -10.449 8.390 1.00 78.41 O -21.374 -10.954 5.310 1.00 78.41 C -20.149 -10.575 4.472 1.00 78.41 C -19.125 -11.285 4.532 1.00 78.41 O -20.254 -9.586 3.724 1.00 78.41 O1- -18.816 -11.451 7.399 1.00 85.44 N -17.762 -10.902 8.251 1.00 85.44 C -17.352 -9.513 7.737 1.00 85.44 C -16.180 -9.284 7.431 1.00 85.44 O -16.576 -11.886 8.319 1.00 85.44 C -16.900 -13.198 9.004 1.00 85.44 C -16.394 -14.300 8.501 1.00 85.44 N -17.559 -13.269 10.029 1.00 85.44 O -18.330 -8.615 7.569 1.00 92.12 N -18.096 -7.279 7.027 1.00 92.12 C -17.195 -6.467 7.961 1.00 92.12 C -17.502 -6.342 9.145 1.00 92.12 O -19.405 -6.506 6.826 1.00 92.12 C -20.609 -7.367 5.783 1.00 92.12 S -16.126 -5.865 7.442 1.00 95.42 N -15.188 -5.056 8.238 1.00 95.42 C -14.928 -3.737 7.544 1.00 95.42 C -14.953 -3.679 6.317 1.00 95.42 O -13.870 -5.810 8.475 1.00 95.42 C -14.070 -7.126 9.233 1.00 95.42 C -12.898 -8.072 8.989 1.00 95.42 C -13.147 -9.349 9.672 1.00 95.42 N -12.231 -10.167 10.139 1.00 95.42 C -10.964 -9.999 9.916 1.00 95.42 N1+ -12.558 -11.196 10.853 1.00 95.42 N -14.657 -2.708 8.329 1.00 97.95 N -14.254 -1.405 7.824 1.00 97.95 C -12.913 -1.028 8.440 1.00 97.95 C -12.759 -1.080 9.654 1.00 97.95 O -15.372 -0.404 8.129 1.00 97.95 C -15.139 1.017 7.592 1.00 97.95 C -14.930 1.043 6.076 1.00 97.95 C -16.380 1.840 7.935 1.00 97.95 C -11.941 -0.675 7.612 1.00 98.44 N -10.637 -0.192 8.050 1.00 98.44 C -10.459 1.248 7.575 1.00 98.44 C -10.658 1.517 6.395 1.00 98.44 O -9.553 -1.149 7.524 1.00 98.44 C -8.108 -0.665 7.728 1.00 98.44 C -7.702 -0.638 9.197 1.00 98.44 C -7.141 -1.586 6.988 1.00 98.44 C -10.051 2.142 8.471 1.00 98.65 N -9.638 3.507 8.152 1.00 98.65 C -8.150 3.697 8.399 1.00 98.65 C -7.616 3.201 9.392 1.00 98.65 O -10.415 4.521 8.989 1.00 98.65 C -11.881 4.584 8.653 1.00 98.65 C -12.301 5.250 7.487 1.00 98.65 C -12.821 4.000 9.519 1.00 98.65 C -13.671 5.364 7.205 1.00 98.65 C -14.188 4.117 9.237 1.00 98.65 C -14.606 4.808 8.091 1.00 98.65 C -7.503 4.465 7.530 1.00 98.49 N -6.129 4.908 7.724 1.00 98.49 C -5.842 6.194 6.946 1.00 98.49 C -6.432 6.459 5.897 1.00 98.49 O -5.160 3.788 7.328 1.00 98.49 C -5.267 3.295 5.898 1.00 98.49 C -6.135 2.235 5.577 1.00 98.49 C -4.471 3.875 4.894 1.00 98.49 C -6.220 1.760 4.255 1.00 98.49 C -4.533 3.392 3.573 1.00 98.49 C -5.421 2.342 3.251 1.00 98.49 C -5.534 1.918 1.965 1.00 98.49 O -4.908 6.988 7.453 1.00 98.52 N -4.394 8.197 6.805 1.00 98.52 C -2.911 7.945 6.575 1.00 98.52 C -2.242 7.437 7.466 1.00 98.52 O -4.660 9.439 7.679 1.00 98.52 C -6.181 9.653 7.850 1.00 98.52 C -4.007 10.683 7.057 1.00 98.52 C -6.542 10.741 8.867 1.00 98.52 C -2.414 8.247 5.382 1.00 98.53 N -1.001 8.076 5.069 1.00 98.53 C -0.335 9.440 4.994 1.00 98.53 C -0.927 10.380 4.472 1.00 98.53 O -0.828 7.332 3.741 1.00 98.53 C -1.219 5.872 3.778 1.00 98.53 C -1.239 5.232 2.632 1.00 98.53 N -1.473 5.257 4.795 1.00 98.53 O 0.914 9.515 5.425 1.00 97.91 N 1.790 10.607 5.031 1.00 97.91 C 2.073 10.560 3.513 1.00 97.91 C 1.658 9.627 2.806 1.00 97.91 O 3.066 10.560 5.889 1.00 97.91 C 3.760 11.922 6.014 1.00 97.91 C 3.297 12.888 5.360 1.00 97.91 O 4.737 11.984 6.782 1.00 97.91 O1- 2.764 11.586 3.012 1.00 98.07 N 3.052 11.846 1.598 1.00 98.07 C 3.542 10.598 0.871 1.00 98.07 C 4.681 10.158 1.025 1.00 98.07 O 4.079 12.980 1.489 1.00 98.07 C 3.491 14.310 1.973 1.00 98.07 C 4.549 15.405 1.860 1.00 98.07 C 4.035 16.690 2.364 1.00 98.07 N 4.678 17.842 2.341 1.00 98.07 C 5.877 17.943 1.835 1.00 98.07 N1+ 4.117 18.921 2.812 1.00 98.07 N 2.680 10.027 0.034 1.00 98.39 N 3.036 8.872 -0.779 1.00 98.39 C 2.259 8.794 -2.095 1.00 98.39 C 1.121 9.247 -2.205 1.00 98.39 O 2.905 7.581 0.045 1.00 98.39 C 1.198 7.273 0.587 1.00 98.39 S 2.886 8.182 -3.095 1.00 98.15 N 2.263 7.730 -4.325 1.00 98.15 C 1.993 6.227 -4.232 1.00 98.15 C 2.901 5.424 -4.006 1.00 98.15 O 3.168 8.077 -5.511 1.00 98.15 C 0.736 5.837 -4.435 1.00 98.34 N 0.308 4.440 -4.394 1.00 98.34 C -0.130 4.002 -5.787 1.00 98.34 C -1.240 4.306 -6.230 1.00 98.34 O -0.777 4.201 -3.330 1.00 98.34 C -1.027 2.694 -3.189 1.00 98.34 C -0.371 4.734 -1.949 1.00 98.34 C 0.720 3.232 -6.464 1.00 97.81 N 0.420 2.628 -7.768 1.00 97.81 C -0.315 1.295 -7.590 1.00 97.81 C -0.120 0.574 -6.606 1.00 97.81 O 1.678 2.487 -8.656 1.00 97.81 C 2.661 1.433 -8.111 1.00 97.81 C 2.375 3.846 -8.843 1.00 97.81 C 3.866 1.183 -9.013 1.00 97.81 C -1.162 0.941 -8.551 1.00 97.09 N -1.850 -0.345 -8.599 1.00 97.09 C -0.910 -1.507 -8.918 1.00 97.09 C 0.108 -1.352 -9.594 1.00 97.09 O -1.287 -2.714 -8.481 1.00 95.83 N -0.484 -3.937 -8.642 1.00 95.83 C 0.030 -4.145 -10.071 1.00 95.83 C 1.207 -4.430 -10.250 1.00 95.83 O -1.320 -5.138 -8.172 1.00 95.83 C -0.505 -6.436 -8.206 1.00 95.83 C -1.351 -7.644 -7.802 1.00 95.83 C -0.476 -8.883 -8.010 1.00 95.83 C -1.200 -10.142 -7.723 1.00 95.83 N1+ -0.831 -3.956 -11.071 1.00 94.61 N -0.546 -4.260 -12.479 1.00 94.61 C -0.219 -3.010 -13.318 1.00 94.61 C -0.454 -3.008 -14.524 1.00 94.61 O -1.720 -5.057 -13.077 1.00 94.61 C -2.053 -6.350 -12.355 1.00 94.61 C -3.283 -6.790 -12.465 1.00 94.61 N -1.261 -6.981 -11.676 1.00 94.61 O 0.254 -1.928 -12.697 1.00 95.60 N 0.640 -0.711 -13.414 1.00 95.60 C 2.132 -0.693 -13.748 1.00 95.60 C 2.954 -1.191 -12.969 1.00 95.60 O 0.272 0.524 -12.599 1.00 95.60 C -1.230 0.611 -12.324 1.00 95.60 C -1.602 2.040 -12.004 1.00 95.60 C -1.884 2.845 -13.002 1.00 95.60 N -1.610 2.423 -10.849 1.00 95.60 O 2.482 -0.080 -14.877 1.00 94.46 N 3.868 0.254 -15.179 1.00 94.46 C 4.233 1.558 -14.461 1.00 94.46 C 3.735 2.613 -14.826 1.00 94.46 O 4.063 0.355 -16.699 1.00 94.46 C 5.516 0.627 -17.047 1.00 94.46 C 5.863 0.626 -18.307 1.00 94.46 N 6.350 0.816 -16.179 1.00 94.46 O 5.101 1.488 -13.452 1.00 94.44 N 5.433 2.656 -12.633 1.00 94.44 C 6.055 3.797 -13.460 1.00 94.44 C 5.731 4.955 -13.225 1.00 94.44 O 6.316 2.203 -11.458 1.00 94.44 C 7.765 1.853 -11.852 1.00 94.44 C 8.707 3.003 -11.525 1.00 94.44 C 8.249 0.616 -11.111 1.00 94.44 C 6.868 3.470 -14.471 1.00 93.00 N 7.603 4.442 -15.287 1.00 93.00 C 6.672 5.339 -16.111 1.00 93.00 C 7.012 6.476 -16.411 1.00 93.00 O 8.562 3.679 -16.215 1.00 93.00 C 9.411 2.637 -15.547 1.00 93.00 C 9.332 1.301 -15.744 1.00 93.00 C 10.491 2.824 -14.587 1.00 93.00 C 10.945 1.538 -14.163 1.00 93.00 C 11.160 3.947 -14.058 1.00 93.00 C 10.209 0.647 -14.905 1.00 93.00 N 11.950 1.367 -13.206 1.00 93.00 C 12.214 3.781 -13.142 1.00 93.00 C 12.566 2.508 -12.675 1.00 93.00 C 5.482 4.835 -16.453 1.00 93.05 N 4.465 5.558 -17.222 1.00 93.05 C 3.421 6.254 -16.340 1.00 93.05 C 2.524 6.911 -16.860 1.00 93.05 O 3.770 4.588 -18.184 1.00 93.05 C 4.713 4.032 -19.255 1.00 93.05 C 3.950 3.090 -20.173 1.00 93.05 C 3.419 3.573 -21.275 1.00 93.05 N 3.787 1.911 -19.883 1.00 93.05 O 3.511 6.110 -15.019 1.00 95.09 N 2.446 6.518 -14.099 1.00 95.09 C 2.893 7.556 -13.073 1.00 95.09 C 2.067 8.335 -12.600 1.00 95.09 O 1.934 5.263 -13.388 1.00 95.09 C 1.213 4.295 -14.340 1.00 95.09 C -0.146 4.790 -14.822 1.00 95.09 C -0.563 4.451 -15.951 1.00 95.09 O -0.873 5.382 -13.993 1.00 95.09 O1- 4.178 7.567 -12.714 1.00 95.06 N 4.736 8.498 -11.731 1.00 95.06 C 6.040 9.123 -12.207 1.00 95.06 C 6.866 8.473 -12.845 1.00 95.06 O 4.947 7.832 -10.361 1.00 95.06 C 3.615 7.447 -9.713 1.00 95.06 C 5.827 6.576 -10.380 1.00 95.06 C 6.250 10.382 -11.838 1.00 94.08 N 7.541 11.045 -11.982 1.00 94.08 C 8.405 10.760 -10.746 1.00 94.08 C 8.277 11.407 -9.705 1.00 94.08 O 7.319 12.539 -12.227 1.00 94.08 C 8.608 13.240 -12.653 1.00 94.08 C 9.671 12.963 -12.054 1.00 94.08 O 8.513 14.085 -13.577 1.00 94.08 O1- 9.273 9.752 -10.843 1.00 92.94 N 10.096 9.301 -9.716 1.00 92.94 C 11.034 10.385 -9.179 1.00 92.94 C 11.259 10.450 -7.969 1.00 92.94 O 10.936 8.096 -10.152 1.00 92.94 C 10.122 6.860 -10.546 1.00 92.94 C 11.109 5.799 -10.995 1.00 92.94 C 9.316 6.296 -9.382 1.00 92.94 C 11.561 11.241 -10.058 1.00 91.93 N 12.454 12.320 -9.663 1.00 91.93 C 11.697 13.367 -8.837 1.00 91.93 C 12.149 13.732 -7.749 1.00 91.93 O 13.098 12.917 -10.920 1.00 91.93 C 10.508 13.783 -9.298 1.00 94.71 N 9.665 14.735 -8.558 1.00 94.71 C 9.106 14.153 -7.261 1.00 94.71 C 9.004 14.875 -6.270 1.00 94.71 O 8.507 15.234 -9.421 1.00 94.71 C 8.927 16.087 -10.623 1.00 94.71 C 7.662 16.483 -11.395 1.00 94.71 C 8.001 17.143 -12.734 1.00 94.71 C 7.165 16.564 -13.812 1.00 94.71 N1+ 8.752 12.863 -7.237 1.00 96.02 N 8.333 12.197 -5.999 1.00 96.02 C 9.447 12.265 -4.953 1.00 96.02 C 9.207 12.719 -3.835 1.00 96.02 O 7.941 10.730 -6.255 1.00 96.02 C 6.595 10.499 -6.963 1.00 96.02 C 6.383 8.992 -7.120 1.00 96.02 C 5.400 11.039 -6.183 1.00 96.02 C 10.676 11.902 -5.341 1.00 93.91 N 11.844 11.966 -4.459 1.00 93.91 C 12.122 13.395 -3.990 1.00 93.91 C 12.343 13.599 -2.804 1.00 93.91 O 13.049 11.339 -5.175 1.00 93.91 C 14.261 11.186 -4.244 1.00 93.91 C 15.427 10.521 -4.986 1.00 93.91 C 16.633 10.358 -4.053 1.00 93.91 C 17.790 9.752 -4.762 1.00 93.91 N1+ 12.066 14.390 -4.881 1.00 94.93 N 12.334 15.788 -4.511 1.00 94.93 C 11.283 16.383 -3.570 1.00 94.93 C 11.598 17.284 -2.800 1.00 94.93 O 12.472 16.670 -5.757 1.00 94.93 C 11.229 16.879 -6.400 1.00 94.93 O 10.033 15.907 -3.633 1.00 95.61 N 8.936 16.345 -2.753 1.00 95.61 C 8.745 15.450 -1.516 1.00 95.61 C 7.764 15.635 -0.794 1.00 95.61 O 7.638 16.523 -3.565 1.00 95.61 C 7.667 17.717 -4.538 1.00 95.61 C 6.247 17.981 -5.071 1.00 95.61 C 6.138 19.225 -5.958 1.00 95.61 C 4.760 19.356 -6.508 1.00 95.61 N1+ 9.662 14.512 -1.255 1.00 95.59 N 9.598 13.544 -0.151 1.00 95.59 C 8.314 12.691 -0.154 1.00 95.59 C 7.725 12.441 0.894 1.00 95.59 O 9.865 14.246 1.196 1.00 95.59 C 11.214 14.931 1.259 1.00 95.59 C 11.310 16.041 1.952 1.00 95.59 N 12.200 14.482 0.704 1.00 95.59 O 7.862 12.264 -1.336 1.00 97.72 N 6.781 11.290 -1.463 1.00 97.72 C 7.349 9.873 -1.534 1.00 97.72 C 8.134 9.545 -2.426 1.00 97.72 O 5.904 11.583 -2.687 1.00 97.72 C 4.856 12.658 -2.477 1.00 97.72 C 3.494 12.314 -2.394 1.00 97.72 C 5.236 14.005 -2.350 1.00 97.72 C 2.524 13.302 -2.155 1.00 97.72 C 4.268 14.998 -2.122 1.00 97.72 C 2.912 14.646 -2.018 1.00 97.72 C 6.880 9.002 -0.646 1.00 97.52 N 7.172 7.571 -0.712 1.00 97.52 C 6.467 6.912 -1.907 1.00 97.52 C 5.325 7.240 -2.224 1.00 97.52 O 6.743 6.895 0.599 1.00 97.52 C 7.684 7.218 1.769 1.00 97.52 C 9.095 6.651 1.554 1.00 97.52 C 10.072 7.298 1.969 1.00 97.52 O 9.191 5.538 0.974 1.00 97.52 O1- 7.103 5.930 -2.551 1.00 97.55 N 6.486 5.138 -3.621 1.00 97.55 C 6.104 3.746 -3.115 1.00 97.55 C 6.964 2.968 -2.694 1.00 97.55 O 7.427 5.053 -4.834 1.00 97.55 C 6.864 4.192 -5.986 1.00 97.55 C 5.649 4.838 -6.658 1.00 97.55 C 7.947 3.974 -7.033 1.00 97.55 C 4.826 3.394 -3.252 1.00 97.99 N 4.305 2.079 -2.898 1.00 97.99 C 3.514 1.471 -4.053 1.00 97.99 C 2.710 2.133 -4.705 1.00 97.99 O 3.431 2.151 -1.634 1.00 97.99 C 4.172 2.635 -0.371 1.00 97.99 C 4.072 4.149 -0.184 1.00 97.99 C 3.553 1.979 0.864 1.00 97.99 C 3.663 0.159 -4.241 1.00 97.98 N 2.766 -0.649 -5.072 1.00 97.98 C 1.795 -1.393 -4.168 1.00 97.98 C 2.212 -2.227 -3.370 1.00 97.98 O 3.603 -1.577 -5.961 1.00 97.98 C 2.733 -2.438 -6.891 1.00 97.98 C 3.601 -3.377 -7.731 1.00 97.98 C 4.518 -2.647 -8.627 1.00 97.98 N 4.233 -2.124 -9.803 1.00 97.98 C 3.072 -2.248 -10.374 1.00 97.98 N1+ 5.138 -1.453 -10.447 1.00 97.98 N 0.494 -1.129 -4.273 1.00 97.57 N -0.503 -1.837 -3.448 1.00 97.57 C -0.798 -3.241 -3.977 1.00 97.57 C -0.551 -3.565 -5.137 1.00 97.57 O -1.759 -0.981 -3.261 1.00 97.57 C -2.536 -0.817 -4.566 1.00 97.57 C -3.659 0.196 -4.397 1.00 97.57 C -4.384 0.342 -5.657 1.00 97.57 N -4.170 1.273 -6.558 1.00 97.57 C -3.310 2.238 -6.436 1.00 97.57 N1+ -4.836 1.233 -7.657 1.00 97.57 N -1.392 -4.080 -3.128 1.00 96.22 N -1.741 -5.463 -3.476 1.00 96.22 C -3.044 -5.619 -4.286 1.00 96.22 C -3.367 -6.742 -4.704 1.00 96.22 O -1.820 -6.301 -2.198 1.00 96.22 C -0.569 -6.334 -1.352 1.00 96.22 C 0.564 -7.034 -1.809 1.00 96.22 C -0.548 -5.705 -0.094 1.00 96.22 C 1.718 -7.100 -1.010 1.00 96.22 C 0.603 -5.784 0.708 1.00 96.22 C 1.735 -6.479 0.250 1.00 96.22 C -3.809 -4.538 -4.458 1.00 95.94 N -5.022 -4.433 -5.279 1.00 95.94 C -4.714 -3.853 -6.668 1.00 95.94 C -3.641 -3.302 -6.916 1.00 95.94 O -6.063 -3.565 -4.560 1.00 95.94 C -5.534 -2.277 -4.382 1.00 95.94 O -5.655 -3.995 -7.604 1.00 92.71 N -5.555 -3.369 -8.929 1.00 92.71 C -5.890 -1.872 -8.909 1.00 92.71 C -5.968 -1.255 -7.850 1.00 92.71 O -6.140 -1.290 -10.084 1.00 92.15 N -6.554 0.112 -10.262 1.00 92.15 C -5.412 1.049 -10.672 1.00 92.15 C -4.316 0.581 -10.963 1.00 92.15 O -5.701 2.354 -10.692 1.00 94.43 N -4.769 3.416 -11.100 1.00 94.43 C -3.912 3.978 -9.960 1.00 94.43 C -4.025 3.534 -8.817 1.00 94.43 O -3.098 4.980 -10.250 1.00 97.18 N -2.223 5.637 -9.277 1.00 97.18 C -2.973 6.730 -8.525 1.00 97.18 C -3.789 7.447 -9.105 1.00 97.18 O -0.980 6.211 -9.960 1.00 97.18 C 0.023 6.739 -8.939 1.00 97.18 C -0.350 5.186 -10.687 1.00 97.18 O -2.701 6.857 -7.228 1.00 97.33 N -3.232 7.922 -6.367 1.00 97.33 C -2.121 8.504 -5.497 1.00 97.33 C -1.121 7.836 -5.237 1.00 97.33 O -4.411 7.434 -5.501 1.00 97.33 C -5.631 7.082 -6.362 1.00 97.33 C -4.055 6.213 -4.646 1.00 97.33 C -2.311 9.744 -5.053 1.00 97.74 N -1.434 10.432 -4.108 1.00 97.74 C -2.166 10.603 -2.786 1.00 97.74 C -3.355 10.928 -2.784 1.00 97.74 O -1.028 11.801 -4.664 1.00 97.74 C -0.132 11.707 -5.902 1.00 97.74 C -0.117 13.051 -6.606 1.00 97.74 C 1.306 11.333 -5.550 1.00 97.74 C -1.466 10.364 -1.685 1.00 98.24 N -1.980 10.562 -0.338 1.00 98.24 C -1.127 11.589 0.400 1.00 98.24 C 0.077 11.695 0.168 1.00 98.24 O -1.996 9.247 0.455 1.00 98.24 C -2.732 8.066 -0.140 1.00 98.24 C -3.555 8.028 -1.236 1.00 98.24 C -2.734 6.798 0.392 1.00 98.24 N -3.508 6.020 -0.379 1.00 98.24 C -4.019 6.721 -1.395 1.00 98.24 N -1.774 12.279 1.325 1.00 97.51 N -1.192 13.061 2.402 1.00 97.51 C -2.140 12.994 3.617 1.00 97.51 C -3.137 12.257 3.613 1.00 97.51 O -0.962 14.503 1.917 1.00 97.51 C -2.245 15.292 1.621 1.00 97.51 C -3.365 14.801 1.891 1.00 97.51 O -2.098 16.431 1.149 1.00 97.51 O1- -1.865 13.799 4.644 1.00 97.42 N -2.659 13.823 5.873 1.00 97.42 C -4.091 14.361 5.690 1.00 97.42 C -4.937 14.139 6.558 1.00 97.42 O -1.897 14.613 6.949 1.00 97.42 C -0.490 14.073 7.274 1.00 97.42 C 0.131 14.927 8.378 1.00 97.42 C -0.508 12.614 7.739 1.00 97.42 C -4.379 15.041 4.576 1.00 96.97 N -5.708 15.554 4.243 1.00 96.97 C -6.568 14.581 3.431 1.00 96.97 C -7.700 14.907 3.051 1.00 96.97 O -6.054 13.375 3.175 1.00 97.72 N -6.753 12.287 2.509 1.00 97.72 C -7.004 11.104 3.461 1.00 97.72 C -6.068 10.478 3.963 1.00 97.72 O -5.940 11.876 1.276 1.00 97.72 C -6.493 10.606 0.666 1.00 97.72 C -5.840 9.492 0.910 1.00 97.72 N -7.539 10.596 0.039 1.00 97.72 O -8.271 10.716 3.632 1.00 98.34 N -8.632 9.495 4.373 1.00 98.34 C -8.769 8.324 3.417 1.00 98.34 C -9.488 8.398 2.426 1.00 98.34 O -9.914 9.659 5.208 1.00 98.34 C -10.326 8.341 5.886 1.00 98.34 C -9.701 10.684 6.321 1.00 98.34 C -8.155 7.199 3.759 1.00 98.65 N -8.398 5.934 3.088 1.00 98.65 C -9.355 5.082 3.916 1.00 98.65 C -9.242 5.006 5.143 1.00 98.65 O -7.080 5.212 2.846 1.00 98.65 C -6.087 6.094 2.129 1.00 98.65 C -5.120 6.639 2.829 1.00 98.65 N -6.194 6.329 0.941 1.00 98.65 O -10.277 4.414 3.236 1.00 98.51 N -11.185 3.450 3.838 1.00 98.51 C -11.193 2.158 3.032 1.00 98.51 C -11.102 2.187 1.809 1.00 98.51 O -12.588 4.044 3.989 1.00 98.51 C -13.213 4.533 2.700 1.00 98.51 C -12.963 5.852 2.274 1.00 98.51 C -14.015 3.677 1.920 1.00 98.51 C -13.518 6.323 1.074 1.00 98.51 C -14.595 4.158 0.730 1.00 98.51 C -14.348 5.485 0.313 1.00 98.51 C -14.863 5.937 -0.855 1.00 98.51 O -11.322 1.026 3.716 1.00 98.27 N -11.360 -0.308 3.121 1.00 98.27 C -12.529 -1.091 3.697 1.00 98.27 C -12.552 -1.410 4.887 1.00 98.27 O -10.028 -1.014 3.369 1.00 98.27 C -9.874 -2.147 2.544 1.00 98.27 O -13.525 -1.371 2.860 1.00 97.92 N -14.682 -2.189 3.193 1.00 97.92 C -14.452 -3.625 2.723 1.00 97.92 C -14.368 -3.898 1.523 1.00 97.92 O -15.947 -1.578 2.584 1.00 97.92 C -17.183 -2.433 2.793 1.00 97.92 C -17.806 -3.059 1.696 1.00 97.92 C -17.683 -2.634 4.094 1.00 97.92 C -18.940 -3.870 1.894 1.00 97.92 C -18.810 -3.454 4.295 1.00 97.92 C -19.443 -4.066 3.196 1.00 97.92 C -20.535 -4.849 3.395 1.00 97.92 O -14.348 -4.549 3.676 1.00 96.58 N -14.146 -5.973 3.436 1.00 96.58 C -15.475 -6.722 3.543 1.00 96.58 C -16.255 -6.487 4.465 1.00 96.58 O -13.130 -6.571 4.421 1.00 96.58 C -11.687 -6.034 4.361 1.00 96.58 C -11.471 -4.693 5.059 1.00 96.58 C -10.775 -7.065 5.020 1.00 96.58 C -15.698 -7.675 2.642 1.00 94.58 N -16.900 -8.520 2.571 1.00 94.58 C -16.573 -9.881 1.935 1.00 94.58 C -15.480 -10.114 1.408 1.00 94.58 O -18.024 -7.771 1.817 1.00 94.58 C -17.628 -7.340 0.403 1.00 94.58 C -19.186 -8.546 1.656 1.00 94.58 O -17.506 -10.826 2.004 1.00 93.46 N -17.498 -12.041 1.184 1.00 93.46 C -17.480 -11.737 -0.324 1.00 93.46 C -17.978 -10.704 -0.770 1.00 93.46 O -18.723 -12.881 1.545 1.00 93.46 C -19.910 -12.214 1.157 1.00 93.46 O -16.935 -12.649 -1.140 1.00 91.63 N -16.949 -12.488 -2.607 1.00 91.63 C -18.377 -12.451 -3.159 1.00 91.63 C -18.627 -11.766 -4.141 1.00 91.63 O -16.124 -13.611 -3.255 1.00 91.63 C -16.185 -13.569 -4.791 1.00 91.63 C -15.212 -14.570 -5.418 1.00 91.63 C -15.334 -14.566 -6.890 1.00 91.63 N -14.369 -14.597 -7.793 1.00 91.63 C -13.105 -14.597 -7.469 1.00 91.63 N1+ -14.660 -14.628 -9.063 1.00 91.63 N -19.288 -13.185 -2.537 1.00 90.49 N -20.675 -13.361 -2.964 1.00 90.49 C -21.506 -12.082 -2.802 1.00 90.49 C -22.435 -11.861 -3.571 1.00 90.49 O -21.307 -14.506 -2.149 1.00 90.49 C -20.654 -15.894 -2.339 1.00 90.49 C -19.284 -16.103 -1.654 1.00 90.49 C -18.587 -17.082 -2.008 1.00 90.49 O -18.878 -15.267 -0.814 1.00 90.49 O1- -21.166 -11.233 -1.825 1.00 91.09 N -21.836 -9.945 -1.570 1.00 91.09 C -21.078 -8.740 -2.118 1.00 91.09 C -21.490 -7.601 -1.913 1.00 91.09 O -22.066 -9.772 -0.069 1.00 91.09 C -23.030 -10.821 0.483 1.00 91.09 C -23.334 -10.473 1.935 1.00 91.09 C -24.307 -11.502 2.498 1.00 91.09 C -24.725 -11.112 3.860 1.00 91.09 N1+ -19.939 -8.975 -2.757 1.00 92.45 N -19.085 -7.901 -3.214 1.00 92.45 C -19.679 -7.195 -4.433 1.00 92.45 C -19.809 -7.777 -5.508 1.00 92.45 O -17.692 -8.443 -3.505 1.00 92.45 C -16.772 -7.368 -4.032 1.00 92.45 C -16.461 -7.330 -5.403 1.00 92.45 C -16.293 -6.364 -3.171 1.00 92.45 C -15.669 -6.291 -5.914 1.00 92.45 C -15.483 -5.340 -3.679 1.00 92.45 C -15.184 -5.299 -5.051 1.00 92.45 C -19.936 -5.903 -4.274 1.00 94.17 N -20.350 -5.002 -5.341 1.00 94.17 C -19.445 -3.768 -5.350 1.00 94.17 C -19.282 -3.091 -4.334 1.00 94.17 O -21.802 -4.576 -5.128 1.00 94.17 C -22.831 -5.664 -5.452 1.00 94.17 C -24.258 -5.130 -5.245 1.00 94.17 C -25.087 -5.874 -4.681 1.00 94.17 O -24.505 -3.964 -5.648 1.00 94.17 O1- -18.889 -3.431 -6.515 1.00 92.50 N -17.873 -2.371 -6.657 1.00 92.50 C -18.364 -0.985 -6.239 1.00 92.50 C -17.589 -0.188 -5.725 1.00 92.50 O -17.380 -2.290 -8.109 1.00 92.50 C -16.588 -3.534 -8.512 1.00 92.50 C -18.471 -2.187 -9.001 1.00 92.50 O -19.654 -0.690 -6.434 1.00 96.07 N -20.247 0.629 -6.144 1.00 96.07 C -20.950 0.703 -4.789 1.00 96.07 C -21.335 1.793 -4.373 1.00 96.07 O -21.201 1.036 -7.281 1.00 96.07 C -20.493 1.109 -8.643 1.00 96.07 C -21.396 1.703 -9.734 1.00 96.07 C -20.623 1.762 -11.057 1.00 96.07 C -21.379 2.441 -12.139 1.00 96.07 N1+ -21.178 -0.429 -4.124 1.00 96.26 N -22.093 -0.509 -2.983 1.00 96.26 C -21.677 0.400 -1.825 1.00 96.26 C -22.480 1.212 -1.363 1.00 96.26 O -22.214 -1.970 -2.541 1.00 96.26 C -22.856 -2.152 -1.183 1.00 96.26 C -22.051 -2.362 -0.049 1.00 96.26 C -24.255 -2.099 -1.052 1.00 96.26 C -22.643 -2.520 1.212 1.00 96.26 C -24.847 -2.240 0.216 1.00 96.26 C -24.041 -2.447 1.350 1.00 96.26 C -20.420 0.315 -1.383 1.00 96.89 N -19.986 1.068 -0.209 1.00 96.89 C -19.906 2.576 -0.482 1.00 96.89 C -20.337 3.369 0.352 1.00 96.89 O -18.669 0.494 0.317 1.00 96.89 C -18.384 0.915 1.740 1.00 96.89 C -17.326 1.795 2.030 1.00 96.89 C -19.202 0.436 2.778 1.00 96.89 C -17.097 2.204 3.355 1.00 96.89 C -18.981 0.856 4.097 1.00 96.89 C -17.934 1.747 4.387 1.00 96.89 C -19.497 2.988 -1.688 1.00 97.72 N -19.523 4.406 -2.063 1.00 97.72 C -20.946 4.970 -2.135 1.00 97.72 C -21.167 6.097 -1.699 1.00 97.72 O -18.787 4.643 -3.387 1.00 97.72 C -17.291 4.558 -3.256 1.00 97.72 C -16.567 4.575 -4.340 1.00 97.72 N -16.763 4.448 -2.173 1.00 97.72 O -21.933 4.190 -2.606 1.00 97.80 N -23.350 4.595 -2.527 1.00 97.80 C -23.787 4.828 -1.080 1.00 97.80 C -24.540 5.764 -0.820 1.00 97.80 O -24.275 3.548 -3.169 1.00 97.80 C -24.201 3.516 -4.698 1.00 97.80 C -25.147 2.449 -5.257 1.00 97.80 C -25.089 2.426 -6.787 1.00 97.80 C -25.995 1.384 -7.339 1.00 97.80 N1+ -23.323 3.999 -0.142 1.00 97.38 N -23.610 4.190 1.283 1.00 97.38 C -22.959 5.466 1.824 1.00 97.38 C -23.657 6.261 2.447 1.00 97.38 O -23.192 2.969 2.116 1.00 97.38 C -24.004 1.707 1.811 1.00 97.38 C -25.793 1.864 2.096 1.00 97.38 S -26.373 1.678 0.390 1.00 97.38 C -21.677 5.710 1.525 1.00 97.36 N -20.977 6.945 1.918 1.00 97.36 C -21.715 8.181 1.398 1.00 97.36 C -22.016 9.076 2.183 1.00 97.36 O -19.501 6.919 1.457 1.00 97.36 C -18.729 5.871 2.289 1.00 97.36 C -18.836 8.305 1.594 1.00 97.36 C -17.297 5.640 1.805 1.00 97.36 C -22.076 8.209 0.111 1.00 97.36 N -22.837 9.314 -0.491 1.00 97.36 C -24.160 9.524 0.241 1.00 97.36 C -24.466 10.642 0.649 1.00 97.36 O -23.072 9.044 -1.991 1.00 97.36 C -21.740 9.206 -2.746 1.00 97.36 C -24.135 9.991 -2.578 1.00 97.36 C -21.789 8.579 -4.135 1.00 97.36 C -24.931 8.448 0.457 1.00 97.38 N -26.206 8.512 1.182 1.00 97.38 C -26.021 9.108 2.578 1.00 97.38 C -26.813 9.950 2.988 1.00 97.38 O -26.826 7.107 1.240 1.00 97.38 C -28.162 7.090 1.999 1.00 97.38 C -28.736 5.672 2.074 1.00 97.38 C -30.029 5.697 2.898 1.00 97.38 C -30.625 4.344 3.025 1.00 97.38 N1+ -25.000 8.673 3.312 1.00 96.77 N -24.733 9.146 4.667 1.00 96.77 C -24.306 10.614 4.693 1.00 96.77 C -24.874 11.386 5.464 1.00 96.77 O -23.677 8.249 5.314 1.00 96.77 C -24.050 6.806 5.506 1.00 96.77 C -25.298 6.308 5.692 1.00 96.77 C -23.156 5.651 5.529 1.00 96.77 C -23.939 4.479 5.748 1.00 96.77 C -21.761 5.474 5.404 1.00 96.77 C -25.234 4.934 5.841 1.00 96.77 N -23.371 3.202 5.856 1.00 96.77 C -21.186 4.191 5.484 1.00 96.77 C -21.983 3.062 5.723 1.00 96.77 C -23.369 11.012 3.834 1.00 95.99 N -22.850 12.378 3.796 1.00 95.99 C -23.889 13.379 3.283 1.00 95.99 C -24.142 14.372 3.960 1.00 95.99 O -21.565 12.417 2.958 1.00 95.99 C -20.366 11.665 3.563 1.00 95.99 C -19.156 11.882 2.659 1.00 95.99 C -20.010 12.138 4.973 1.00 95.99 C -24.576 13.083 2.175 1.00 95.75 N -25.642 13.951 1.665 1.00 95.75 C -26.822 14.053 2.650 1.00 95.75 C -27.512 15.065 2.663 1.00 95.75 O -26.131 13.453 0.290 1.00 95.75 C -25.160 13.679 -0.861 1.00 95.75 C -25.490 13.170 -2.027 1.00 95.75 N -24.125 14.314 -0.747 1.00 95.75 O -27.069 13.036 3.493 1.00 94.89 N -28.109 13.127 4.534 1.00 94.89 C -27.747 14.068 5.684 1.00 94.89 C -28.642 14.575 6.353 1.00 94.89 O -28.475 11.749 5.099 1.00 94.89 C -27.511 11.215 5.999 1.00 94.89 O -26.451 14.272 5.935 1.00 92.32 N -25.959 15.186 6.966 1.00 92.32 C -25.824 16.605 6.429 1.00 92.32 C -26.182 17.552 7.118 1.00 92.32 O -24.602 14.686 7.477 1.00 92.32 C -24.710 13.441 8.363 1.00 92.32 C -23.315 12.895 8.603 1.00 92.32 C -25.343 13.741 9.724 1.00 92.32 C -25.329 16.737 5.200 1.00 92.74 N -25.283 18.005 4.499 1.00 92.74 C -25.672 17.814 3.019 1.00 92.74 C -24.830 17.415 2.209 1.00 92.74 O -23.903 18.653 4.691 1.00 92.74 C -23.909 20.059 4.118 1.00 92.74 C -22.922 20.867 4.395 1.00 92.74 N -24.826 20.457 3.422 1.00 92.74 O -26.929 18.121 2.650 1.00 92.57 N -27.399 18.038 1.268 1.00 92.57 C -26.649 18.947 0.283 1.00 92.57 C -26.632 18.652 -0.912 1.00 92.57 O -28.886 18.401 1.328 1.00 92.57 C -29.295 18.027 2.750 1.00 92.57 C -28.046 18.372 3.551 1.00 92.57 C -26.004 20.018 0.757 1.00 92.06 N -25.229 20.942 -0.084 1.00 92.06 C -23.964 20.298 -0.654 1.00 92.06 C -23.449 20.758 -1.671 1.00 92.06 O -24.827 22.200 0.696 1.00 92.06 C -26.025 22.947 1.297 1.00 92.06 C -25.614 24.250 1.997 1.00 92.06 C -26.523 25.088 2.193 1.00 92.06 O -24.416 24.395 2.334 1.00 92.06 O1- -23.495 19.194 -0.059 1.00 93.01 N -22.365 18.435 -0.588 1.00 93.01 C -22.621 17.921 -2.005 1.00 93.01 C -21.680 17.878 -2.792 1.00 93.01 O -22.072 17.238 0.321 1.00 93.01 C -21.387 17.595 1.641 1.00 93.01 C -21.307 16.347 2.517 1.00 93.01 C -19.961 18.081 1.371 1.00 93.01 C -23.868 17.528 -2.317 1.00 94.17 N -24.305 17.042 -3.641 1.00 94.17 C -23.380 15.968 -4.231 1.00 94.17 C -23.086 15.981 -5.425 1.00 94.17 O -24.498 18.234 -4.596 1.00 94.17 C -25.530 19.247 -4.081 1.00 94.17 C -25.595 20.477 -4.987 1.00 94.17 C -26.204 20.156 -6.294 1.00 94.17 N -27.023 20.923 -6.987 1.00 94.17 C -27.358 22.117 -6.584 1.00 94.17 N1+ -27.526 20.498 -8.113 1.00 94.17 N -22.918 15.038 -3.392 1.00 96.87 N -22.039 13.956 -3.835 1.00 96.87 C -22.795 12.979 -4.736 1.00 96.87 C -23.954 12.661 -4.460 1.00 96.87 O -21.428 13.201 -2.643 1.00 96.87 C -20.717 14.071 -1.601 1.00 96.87 C -20.040 13.177 -0.565 1.00 96.87 C -19.675 14.992 -2.230 1.00 96.87 C -22.115 12.455 -5.752 1.00 97.27 N -22.649 11.441 -6.667 1.00 97.27 C -21.556 10.443 -7.095 1.00 97.27 C -20.396 10.564 -6.695 1.00 97.27 O -23.312 12.139 -7.872 1.00 97.27 C -24.381 11.282 -8.569 1.00 97.27 C -24.541 10.094 -8.192 1.00 97.27 O -25.041 11.823 -9.479 1.00 97.27 O1- -21.911 9.435 -7.893 1.00 97.12 N -20.981 8.500 -8.521 1.00 97.12 C -20.805 8.783 -10.005 1.00 97.12 C -21.770 9.003 -10.731 1.00 97.12 O -21.451 7.047 -8.351 1.00 97.12 C -21.453 6.550 -6.909 1.00 97.12 C -21.935 5.102 -6.853 1.00 97.12 C -20.064 6.565 -6.282 1.00 97.12 C -19.578 8.621 -10.493 1.00 95.06 N -19.357 8.474 -11.928 1.00 95.06 C -19.645 7.034 -12.412 1.00 95.06 C -19.908 6.107 -11.635 1.00 95.06 O -17.959 9.009 -12.292 1.00 95.06 C -16.795 8.114 -11.910 1.00 95.06 C -15.586 8.587 -12.101 1.00 95.06 N -16.929 6.973 -11.494 1.00 95.06 O -19.526 6.810 -13.722 1.00 92.40 N -19.736 5.495 -14.344 1.00 92.40 C -18.828 4.397 -13.769 1.00 92.40 C -19.249 3.242 -13.647 1.00 92.40 O -19.483 5.592 -15.849 1.00 92.40 C -20.492 6.508 -16.552 1.00 92.40 C -20.312 6.495 -18.075 1.00 92.40 C -21.249 6.958 -18.755 1.00 92.40 O -19.246 6.018 -18.527 1.00 92.40 O1- -17.614 4.756 -13.335 1.00 90.24 N -16.620 3.841 -12.749 1.00 90.24 C -16.872 3.529 -11.272 1.00 90.24 C -16.281 2.586 -10.751 1.00 90.24 O -15.206 4.409 -12.948 1.00 90.24 C -14.843 4.560 -14.435 1.00 90.24 C -13.436 5.138 -14.611 1.00 90.24 C -12.390 4.212 -14.129 1.00 90.24 N -11.323 4.530 -13.419 1.00 90.24 C -11.140 5.719 -12.924 1.00 90.24 N1+ -10.396 3.641 -13.194 1.00 90.24 N -17.768 4.268 -10.615 1.00 93.70 N -18.051 4.132 -9.187 1.00 93.70 C -17.149 4.963 -8.274 1.00 93.70 C -17.150 4.719 -7.072 1.00 93.70 O -16.397 5.923 -8.811 1.00 96.28 N -15.688 6.931 -8.014 1.00 96.28 C -16.685 7.982 -7.492 1.00 96.28 C -17.662 8.282 -8.184 1.00 96.28 O -14.624 7.624 -8.877 1.00 96.28 C -13.478 6.740 -9.385 1.00 96.28 C -12.948 5.899 -8.623 1.00 96.28 O -12.972 7.018 -10.506 1.00 96.28 O1- -16.431 8.566 -6.313 1.00 97.97 N -17.279 9.643 -5.768 1.00 97.97 C -16.840 10.978 -6.366 1.00 97.97 C -15.645 11.305 -6.388 1.00 97.97 O -17.335 9.693 -4.220 1.00 97.97 C -17.656 8.297 -3.633 1.00 97.97 C -18.374 10.727 -3.753 1.00 97.97 C -17.547 8.186 -2.108 1.00 97.97 C -17.821 11.743 -6.834 1.00 97.76 N -17.653 13.053 -7.450 1.00 97.76 C -18.459 14.119 -6.705 1.00 97.76 C -19.481 13.828 -6.086 1.00 97.76 O -17.999 13.018 -8.959 1.00 97.76 C -19.476 12.641 -9.217 1.00 97.76 C -17.043 12.068 -9.709 1.00 97.76 C -19.932 12.862 -10.663 1.00 97.76 C -17.997 15.360 -6.811 1.00 96.73 N -18.674 16.564 -6.347 1.00 96.73 C -18.543 17.632 -7.435 1.00 96.73 C -17.428 17.975 -7.826 1.00 96.73 O -18.028 17.016 -5.033 1.00 96.73 C -18.747 18.248 -4.478 1.00 96.73 C -18.142 18.737 -3.172 1.00 96.73 C -18.948 19.170 -2.233 1.00 96.73 N -16.934 18.781 -3.007 1.00 96.73 O -19.665 18.130 -7.956 1.00 94.39 N -19.702 19.135 -9.035 1.00 94.39 C -18.846 18.757 -10.267 1.00 94.39 C -18.200 19.597 -10.889 1.00 94.39 O -19.366 20.532 -8.487 1.00 94.39 C -20.141 20.870 -7.217 1.00 94.39 C -21.380 20.679 -7.233 1.00 94.39 O -19.453 21.269 -6.244 1.00 94.39 O1- -18.783 17.461 -10.594 1.00 94.42 N -17.974 16.925 -11.699 1.00 94.42 C -16.485 16.712 -11.388 1.00 94.42 C -15.775 16.122 -12.203 1.00 94.42 O -16.003 17.120 -10.213 1.00 97.24 N -14.647 16.834 -9.746 1.00 97.24 C -14.615 15.527 -8.960 1.00 97.24 C -15.485 15.259 -8.134 1.00 97.24 O -14.129 17.978 -8.877 1.00 97.24 C -13.978 19.299 -9.598 1.00 97.24 C -12.723 19.691 -10.097 1.00 97.24 C -15.091 20.143 -9.761 1.00 97.24 C -12.586 20.915 -10.775 1.00 97.24 C -14.957 21.364 -10.442 1.00 97.24 C -13.704 21.750 -10.950 1.00 97.24 C -13.587 14.711 -9.179 1.00 97.31 N -13.365 13.478 -8.426 1.00 97.31 C -12.829 13.796 -7.030 1.00 97.31 C -11.804 14.457 -6.899 1.00 97.31 O -12.439 12.573 -9.243 1.00 97.31 C -12.111 11.275 -8.501 1.00 97.31 C -11.333 10.332 -9.417 1.00 97.31 C -10.965 9.088 -8.618 1.00 97.31 C -10.553 7.985 -9.509 1.00 97.31 N1+ -13.487 13.264 -6.004 1.00 97.51 N -13.080 13.422 -4.597 1.00 97.51 C -12.673 12.092 -3.946 1.00 97.51 C -12.000 12.081 -2.922 1.00 97.51 O -14.183 14.137 -3.789 1.00 97.51 C -15.485 13.309 -3.740 1.00 97.51 C -14.464 15.536 -4.368 1.00 97.51 C -16.415 13.761 -2.620 1.00 97.51 C -13.046 10.955 -4.544 1.00 97.75 N -12.717 9.616 -4.045 1.00 97.75 C -12.384 8.681 -5.198 1.00 97.75 C -13.166 8.563 -6.140 1.00 97.75 O -13.919 9.049 -3.294 1.00 97.75 C -13.653 7.773 -2.768 1.00 97.75 O -11.233 8.009 -5.144 1.00 96.43 N -10.845 6.982 -6.111 1.00 96.43 C -10.931 5.585 -5.524 1.00 96.43 C -10.422 5.368 -4.432 1.00 96.43 O -11.536 4.642 -6.253 1.00 96.09 N -11.724 3.263 -5.775 1.00 96.09 C -10.820 2.233 -6.449 1.00 96.09 C -10.525 2.305 -7.644 1.00 96.09 O -13.188 2.851 -5.907 1.00 96.09 C -13.962 3.722 -5.111 1.00 96.09 O -10.430 1.225 -5.675 1.00 96.57 N -9.745 0.026 -6.132 1.00 96.57 C -10.226 -1.207 -5.349 1.00 96.57 C -10.889 -1.111 -4.314 1.00 96.57 O -8.230 0.254 -6.047 1.00 96.57 C -9.926 -2.393 -5.876 1.00 95.50 N -10.540 -3.628 -5.396 1.00 95.50 C -9.552 -4.789 -5.387 1.00 95.50 C -8.648 -4.875 -6.229 1.00 95.50 O -11.765 -3.978 -6.258 1.00 95.50 C -12.650 -2.801 -6.643 1.00 95.50 C -13.531 -2.226 -5.708 1.00 95.50 C -12.558 -2.252 -7.938 1.00 95.50 C -14.336 -1.130 -6.070 1.00 95.50 C -13.337 -1.134 -8.293 1.00 95.50 C -14.229 -0.569 -7.357 1.00 95.50 C -14.991 0.504 -7.690 1.00 95.50 O -9.777 -5.733 -4.476 1.00 95.48 N -9.098 -7.030 -4.456 1.00 95.48 C -10.115 -8.124 -4.167 1.00 95.48 C -10.866 -8.024 -3.207 1.00 95.48 O -8.004 -6.998 -3.384 1.00 95.48 C -7.069 -8.213 -3.443 1.00 95.48 C -6.193 -8.250 -2.189 1.00 95.48 C -5.204 -9.417 -2.214 1.00 95.48 C -3.869 -8.976 -2.672 1.00 95.48 N1+ -10.100 -9.191 -4.964 1.00 94.14 N -10.930 -10.385 -4.757 1.00 94.14 C -10.005 -11.599 -4.709 1.00 94.14 C -9.301 -11.877 -5.678 1.00 94.14 O -12.004 -10.530 -5.861 1.00 94.14 C -12.858 -9.250 -6.015 1.00 94.14 C -12.894 -11.748 -5.543 1.00 94.14 C -13.883 -9.323 -7.153 1.00 94.14 C -9.992 -12.327 -3.594 1.00 93.42 N -9.180 -13.533 -3.428 1.00 93.42 C -9.705 -14.417 -2.288 1.00 93.42 C -10.235 -13.926 -1.295 1.00 93.42 O -7.717 -13.142 -3.171 1.00 93.42 C -9.551 -15.739 -2.415 1.00 88.95 N -9.858 -16.681 -1.329 1.00 88.95 C -11.313 -16.656 -0.832 1.00 88.95 C -11.550 -16.924 0.343 1.00 88.95 O -12.281 -16.312 -1.692 1.00 90.55 N -13.701 -16.165 -1.321 1.00 90.55 C -14.030 -14.879 -0.553 1.00 90.55 C -15.099 -14.772 0.035 1.00 90.55 O -13.111 -13.914 -0.534 1.00 93.88 N -13.264 -12.615 0.121 1.00 93.88 C -12.981 -11.514 -0.882 1.00 93.88 C -12.273 -11.733 -1.872 1.00 93.88 O -12.309 -12.520 1.319 1.00 93.88 C -12.585 -13.634 2.340 1.00 93.88 C -11.586 -13.656 3.491 1.00 93.88 C -10.141 -13.841 3.007 1.00 93.88 C -9.297 -14.448 4.059 1.00 93.88 N1+ -13.495 -10.334 -0.601 1.00 95.09 N -13.208 -9.146 -1.367 1.00 95.09 C -13.062 -7.936 -0.452 1.00 95.09 C -13.634 -7.894 0.637 1.00 95.09 O -14.318 -8.946 -2.390 1.00 95.09 C -12.311 -6.949 -0.915 1.00 96.65 N -12.383 -5.615 -0.354 1.00 96.65 C -12.483 -4.570 -1.449 1.00 96.65 C -11.941 -4.726 -2.550 1.00 96.65 O -11.234 -5.357 0.621 1.00 96.65 C -9.855 -5.179 0.022 1.00 96.65 C -8.873 -6.155 0.256 1.00 96.65 C -9.511 -3.993 -0.653 1.00 96.65 C -7.548 -5.949 -0.162 1.00 96.65 C -8.196 -3.795 -1.104 1.00 96.65 C -7.210 -4.767 -0.846 1.00 96.65 C -5.910 -4.508 -1.125 1.00 96.65 O -13.180 -3.498 -1.107 1.00 96.34 N -13.205 -2.239 -1.823 1.00 96.34 C -12.526 -1.214 -0.938 1.00 96.34 C -13.022 -0.920 0.146 1.00 96.34 O -14.660 -1.867 -2.111 1.00 96.34 C -14.888 -0.422 -2.428 1.00 96.34 C -14.087 0.416 -3.153 1.00 96.34 C -16.010 0.263 -2.000 1.00 96.34 N -15.863 1.504 -2.459 1.00 96.34 C -14.728 1.633 -3.163 1.00 96.34 N -11.396 -0.695 -1.402 1.00 97.78 N -10.767 0.436 -0.749 1.00 97.78 C -10.811 1.668 -1.625 1.00 97.78 C -10.842 1.581 -2.858 1.00 97.78 O -9.380 0.094 -0.212 1.00 97.78 C -8.261 -0.091 -1.198 1.00 97.78 C -8.287 -0.132 -2.563 1.00 97.78 C -6.975 -0.339 -0.815 1.00 97.78 N -6.238 -0.517 -1.911 1.00 97.78 C -6.998 -0.429 -3.020 1.00 97.78 N -10.852 2.818 -0.982 1.00 97.99 N -10.908 4.076 -1.676 1.00 97.99 C -10.340 5.207 -0.831 1.00 97.99 C -10.199 5.108 0.388 1.00 97.99 O -12.355 4.316 -2.111 1.00 97.99 C -9.996 6.274 -1.535 1.00 97.97 N -9.485 7.522 -0.975 1.00 97.97 C -10.638 8.487 -0.711 1.00 97.97 C -11.727 8.309 -1.251 1.00 97.97 O -8.455 8.131 -1.936 1.00 97.97 C -7.368 7.143 -2.359 1.00 97.97 C -9.062 8.626 -3.114 1.00 97.97 O -10.437 9.529 0.079 1.00 98.08 N -11.384 10.627 0.241 1.00 98.08 C -10.585 11.903 0.470 1.00 98.08 C -9.996 12.084 1.536 1.00 98.08 O -12.356 10.352 1.401 1.00 98.08 C -13.431 11.443 1.502 1.00 98.08 C -14.530 11.611 0.065 1.00 98.08 S -15.536 10.120 0.238 1.00 98.08 C -10.574 12.771 -0.540 1.00 97.75 N -9.897 14.064 -0.519 1.00 97.75 C -10.732 15.054 0.294 1.00 97.75 C -11.764 15.542 -0.170 1.00 97.75 O -9.691 14.558 -1.962 1.00 97.75 C -8.782 13.671 -2.830 1.00 97.75 C -8.758 14.216 -4.257 1.00 97.75 C -7.345 13.620 -2.309 1.00 97.75 C -10.312 15.325 1.525 1.00 96.97 N -11.056 16.168 2.459 1.00 96.97 C -10.454 17.567 2.532 1.00 96.97 C -11.162 18.547 2.303 1.00 96.97 O -11.084 15.474 3.826 1.00 96.97 C -11.912 14.179 3.828 1.00 96.97 C -11.712 13.455 5.145 1.00 96.97 C -13.415 14.415 3.657 1.00 96.97 C -9.153 17.635 2.803 1.00 95.74 N -8.350 18.852 2.901 1.00 95.74 C -6.883 18.588 2.504 1.00 95.74 C -5.969 19.133 3.114 1.00 95.74 O -8.491 19.461 4.311 1.00 95.74 C -7.940 18.585 5.426 1.00 95.74 C -7.457 19.174 6.492 1.00 95.74 N -7.984 17.367 5.396 1.00 95.74 O -6.666 17.722 1.511 1.00 96.20 N -5.344 17.411 0.970 1.00 96.20 C -4.695 18.645 0.326 1.00 96.20 C -5.382 19.481 -0.269 1.00 96.20 O -5.492 16.262 -0.034 1.00 96.20 C -3.374 18.741 0.385 1.00 95.63 N -2.596 19.780 -0.280 1.00 95.63 C -2.432 19.433 -1.771 1.00 95.63 C -1.425 18.893 -2.237 1.00 95.63 O -1.276 20.000 0.468 1.00 95.63 C -0.518 21.226 -0.043 1.00 95.63 C -0.898 21.755 -1.116 1.00 95.63 O 0.491 21.580 0.610 1.00 95.63 O1- -3.492 19.707 -2.539 1.00 95.46 N -3.578 19.350 -3.958 1.00 95.46 C -2.531 20.066 -4.825 1.00 95.46 C -2.226 19.595 -5.921 1.00 95.46 O -4.993 19.644 -4.490 1.00 95.46 C -6.143 18.944 -3.744 1.00 95.46 C -7.468 19.245 -4.446 1.00 95.46 C -5.971 17.427 -3.679 1.00 95.46 C -1.964 21.178 -4.354 1.00 95.11 N -0.877 21.870 -5.046 1.00 95.11 C 0.401 21.021 -5.034 1.00 95.11 C 1.070 20.866 -6.063 1.00 95.11 O -0.660 23.237 -4.386 1.00 95.11 C 0.335 24.085 -5.189 1.00 95.11 C 0.566 25.482 -4.599 1.00 95.11 C 1.476 26.157 -5.130 1.00 95.11 O -0.169 25.876 -3.668 1.00 95.11 O1- 0.692 20.358 -3.909 1.00 94.30 N 1.835 19.447 -3.799 1.00 94.30 C 1.721 18.263 -4.760 1.00 94.30 C 2.749 17.774 -5.237 1.00 94.30 O 2.001 18.938 -2.360 1.00 94.30 C 2.319 20.084 -1.398 1.00 94.30 C 3.642 20.781 -1.668 1.00 94.30 C 3.710 22.062 -1.389 1.00 94.30 N 4.610 20.197 -2.144 1.00 94.30 O 0.499 17.855 -5.111 1.00 94.41 N 0.241 16.753 -6.041 1.00 94.41 C 0.538 17.101 -7.504 1.00 94.41 C 0.724 16.201 -8.328 1.00 94.41 O -1.209 16.277 -5.872 1.00 94.41 C -1.572 15.623 -4.547 1.00 94.41 C -0.632 15.441 -3.506 1.00 94.41 C -2.898 15.193 -4.354 1.00 94.41 C -1.026 14.871 -2.285 1.00 94.41 C -3.286 14.606 -3.136 1.00 94.41 C -2.352 14.456 -2.098 1.00 94.41 C 0.602 18.393 -7.835 1.00 91.23 N 0.789 18.863 -9.205 1.00 91.23 C 2.058 18.285 -9.845 1.00 91.23 C 3.149 18.315 -9.263 1.00 91.23 O 0.811 20.389 -9.234 1.00 91.23 C 0.783 20.818 -10.579 1.00 91.23 O 1.890 17.724 -11.048 1.00 92.22 N 2.955 17.152 -11.876 1.00 92.22 C 3.557 15.825 -11.394 1.00 92.22 C 4.412 15.284 -12.089 1.00 92.22 O 3.143 15.280 -10.241 1.00 95.17 N 3.710 14.036 -9.692 1.00 95.17 C 3.267 12.775 -10.450 1.00 95.17 C 4.011 11.799 -10.523 1.00 95.17 O 3.318 13.910 -8.209 1.00 95.17 C 3.987 14.902 -7.245 1.00 95.17 C 3.595 14.573 -5.804 1.00 95.17 C 5.507 14.835 -7.383 1.00 95.17 C 2.060 12.798 -11.022 1.00 94.04 N 1.499 11.713 -11.844 1.00 94.04 C 1.684 11.969 -13.347 1.00 94.04 C 0.947 11.439 -14.180 1.00 94.04 O 0.024 11.466 -11.473 1.00 94.04 C -0.245 11.229 -9.979 1.00 94.04 C -1.708 10.829 -9.772 1.00 94.04 C 0.651 10.137 -9.396 1.00 94.04 C 2.631 12.843 -13.693 1.00 90.39 N 2.969 13.210 -15.066 1.00 90.39 C 4.459 12.949 -15.284 1.00 90.39 C 5.279 13.852 -15.088 1.00 90.39 O 2.557 14.659 -15.365 1.00 90.39 C 1.066 14.853 -15.069 1.00 90.39 C 0.464 16.058 -15.779 1.00 90.39 C -0.673 15.855 -16.283 1.00 90.39 O 1.123 17.115 -15.832 1.00 90.39 O1- 4.820 11.698 -15.625 1.00 88.32 N 6.201 11.319 -15.872 1.00 88.32 C 6.852 12.230 -16.911 1.00 88.32 C 6.347 12.365 -18.028 1.00 88.32 O 6.148 9.875 -16.371 1.00 88.32 C 4.862 9.330 -15.786 1.00 88.32 C 3.943 10.541 -15.769 1.00 88.32 C 7.997 12.814 -16.560 1.00 84.55 N 8.830 13.596 -17.482 1.00 84.55 C 9.626 12.665 -18.406 1.00 84.55 C 10.853 12.616 -18.358 1.00 84.55 O 9.744 14.559 -16.711 1.00 84.55 C 8.997 15.344 -15.795 1.00 84.55 O 8.921 11.857 -19.201 1.00 82.21 N 9.537 10.911 -20.129 1.00 82.21 C 10.063 11.651 -21.368 1.00 82.21 C 9.339 12.478 -21.926 1.00 82.21 O 8.545 9.802 -20.516 1.00 82.21 C 8.155 8.902 -19.334 1.00 82.21 C 7.013 7.969 -19.740 1.00 82.21 C 9.329 8.078 -18.809 1.00 82.21 C 11.289 11.354 -21.832 1.00 82.63 N 11.823 11.943 -23.053 1.00 82.63 C 10.936 11.661 -24.279 1.00 82.63 C 10.507 10.530 -24.505 1.00 82.63 O 13.228 11.348 -23.186 1.00 82.63 C 13.635 11.024 -21.756 1.00 82.63 C 12.314 10.573 -21.149 1.00 82.63 C 10.682 12.683 -25.107 1.00 84.72 N 9.792 12.593 -26.281 1.00 84.72 C 10.283 11.611 -27.369 1.00 84.72 C 9.522 11.217 -28.252 1.00 84.72 O 9.635 13.999 -26.891 1.00 84.72 C 8.832 14.963 -26.036 1.00 84.72 C 9.072 16.246 -26.168 1.00 84.72 N 7.968 14.598 -25.264 1.00 84.72 O 11.560 11.233 -27.331 1.00 88.48 N 12.186 10.221 -28.185 1.00 88.48 C 11.907 8.777 -27.729 1.00 88.48 C 12.324 7.852 -28.427 1.00 88.48 O 13.707 10.490 -28.286 1.00 88.48 C 14.407 10.495 -26.936 1.00 88.48 C 15.546 9.879 -26.772 1.00 88.48 N 13.923 11.087 -25.992 1.00 88.48 O 11.217 8.574 -26.600 1.00 90.74 N 10.836 7.253 -26.102 1.00 90.74 C 9.383 6.909 -26.427 1.00 90.74 C 8.454 7.576 -25.972 1.00 90.74 O 11.040 7.150 -24.592 1.00 90.74 C 12.494 7.306 -24.181 1.00 90.74 C 12.701 7.017 -22.412 1.00 90.74 S 14.472 7.293 -22.352 1.00 90.74 C 9.173 5.806 -27.139 1.00 92.48 N 7.846 5.223 -27.348 1.00 92.48 C 7.654 4.022 -26.429 1.00 92.48 C 8.440 3.076 -26.458 1.00 92.48 O 7.627 4.821 -28.807 1.00 92.48 C 7.696 6.022 -29.753 1.00 92.48 C 7.441 5.637 -31.215 1.00 92.48 C 7.108 6.570 -31.985 1.00 92.48 O 7.656 4.466 -31.594 1.00 92.48 O1- 6.599 4.061 -25.617 1.00 92.92 N 6.316 3.052 -24.602 1.00 92.92 C 5.127 2.188 -25.008 1.00 92.92 C 4.041 2.698 -25.273 1.00 92.92 O 6.044 3.734 -23.258 1.00 92.92 C 7.191 4.487 -22.663 1.00 92.92 C 7.660 5.685 -23.083 1.00 92.92 C 8.048 4.088 -21.551 1.00 92.92 C 9.050 5.089 -21.381 1.00 92.92 C 8.092 2.972 -20.684 1.00 92.92 C 8.762 6.038 -22.334 1.00 92.92 N 10.054 4.983 -20.412 1.00 92.92 C 9.085 2.870 -19.689 1.00 92.92 C 10.055 3.879 -19.549 1.00 92.92 C 5.303 0.874 -24.954 1.00 93.27 N 4.242 -0.115 -25.136 1.00 93.27 C 4.176 -0.985 -23.873 1.00 93.27 C 5.177 -1.542 -23.432 1.00 93.27 O 4.509 -0.953 -26.396 1.00 93.27 C 4.414 -0.179 -27.729 1.00 93.27 C 4.859 -1.026 -28.945 1.00 93.27 C 5.281 -0.446 -29.981 1.00 93.27 O 4.830 -2.271 -28.843 1.00 93.27 O1- 3.010 -1.092 -23.238 1.00 89.99 N 2.853 -1.820 -21.973 1.00 89.99 C 1.497 -2.499 -21.911 1.00 89.99 C 0.487 -1.917 -22.297 1.00 89.99 O 3.012 -0.843 -20.810 1.00 89.99 C 2.766 -1.436 -19.547 1.00 89.99 O 1.456 -3.719 -21.374 1.00 87.96 N 0.196 -4.424 -21.099 1.00 87.96 C -0.423 -4.027 -19.750 1.00 87.96 C -1.321 -4.706 -19.248 1.00 87.96 O 0.418 -5.936 -21.195 1.00 87.96 C 1.135 -6.409 -20.068 1.00 87.96 O 0.137 -3.010 -19.091 1.00 88.54 N -0.268 -2.561 -17.768 1.00 88.54 C -1.599 -1.819 -17.740 1.00 88.54 C -2.102 -1.328 -18.744 1.00 88.54 O -2.165 -1.705 -16.540 1.00 90.25 N -3.337 -0.854 -16.307 1.00 90.25 C -2.894 0.608 -16.287 1.00 90.25 C -2.074 0.990 -15.453 1.00 90.25 O -4.061 -1.240 -15.005 1.00 90.25 C -5.265 -0.330 -14.722 1.00 90.25 C -4.573 -2.687 -15.068 1.00 90.25 C -3.475 1.426 -17.160 1.00 92.62 N -3.252 2.870 -17.164 1.00 92.62 C -4.183 3.600 -16.193 1.00 92.62 C -5.343 3.210 -16.003 1.00 92.62 O -3.378 3.412 -18.590 1.00 92.62 C -2.264 2.914 -19.470 1.00 92.62 C -2.358 2.020 -20.502 1.00 92.62 C -0.936 3.247 -19.332 1.00 92.62 N -0.247 2.582 -20.275 1.00 92.62 C -1.072 1.819 -21.009 1.00 92.62 N -3.694 4.682 -15.586 1.00 92.80 N -4.555 5.574 -14.805 1.00 92.80 C -5.541 6.337 -15.686 1.00 92.80 C -5.214 6.817 -16.767 1.00 92.80 O -3.748 6.572 -13.980 1.00 92.80 C -3.083 5.867 -12.967 1.00 92.80 O -6.759 6.524 -15.175 1.00 91.94 N -7.733 7.454 -15.759 1.00 91.94 C -7.553 8.802 -15.076 1.00 91.94 C -7.882 8.937 -13.893 1.00 91.94 O -9.173 6.935 -15.615 1.00 91.94 C -10.195 7.908 -16.216 1.00 91.94 C -9.347 5.576 -16.306 1.00 91.94 C -7.027 9.787 -15.812 1.00 91.96 N -6.873 11.160 -15.318 1.00 91.96 C -8.247 11.773 -15.032 1.00 91.96 C -9.219 11.543 -15.750 1.00 91.96 O -6.049 12.020 -16.299 1.00 91.96 C -4.574 11.580 -16.418 1.00 91.96 C -3.732 12.620 -17.187 1.00 91.96 C -2.234 12.259 -17.221 1.00 91.96 C -1.376 13.401 -17.663 1.00 91.96 N1+ -8.354 12.541 -13.957 1.00 92.57 N -9.586 13.235 -13.573 1.00 92.57 C -9.230 14.523 -12.849 1.00 92.57 C -8.245 14.557 -12.114 1.00 92.57 O -10.451 12.357 -12.660 1.00 92.57 C -10.835 11.165 -13.323 1.00 92.57 O -10.037 15.571 -13.031 1.00 94.90 N -9.936 16.773 -12.198 1.00 94.90 C -10.365 16.414 -10.779 1.00 94.90 C -11.380 15.735 -10.612 1.00 94.90 O -10.795 17.914 -12.762 1.00 94.90 C -10.317 18.378 -14.145 1.00 94.90 C -11.149 19.573 -14.628 1.00 94.90 C -10.664 20.037 -16.007 1.00 94.90 C -11.435 21.211 -16.489 1.00 94.90 N1+ -9.603 16.859 -9.787 1.00 96.38 N -9.844 16.562 -8.374 1.00 96.38 C -10.120 17.838 -7.583 1.00 96.38 C -9.695 18.919 -7.986 1.00 96.38 O -8.700 15.722 -7.758 1.00 96.38 C -7.342 16.459 -7.795 1.00 96.38 C -8.621 14.345 -8.443 1.00 96.38 C -6.205 15.693 -7.109 1.00 96.38 C -10.836 17.704 -6.467 1.00 96.53 N -11.003 18.756 -5.458 1.00 96.53 C -11.079 18.128 -4.070 1.00 96.53 C -11.311 16.929 -3.938 1.00 96.53 O -12.226 19.654 -5.761 1.00 96.53 C -13.587 18.967 -5.538 1.00 96.53 C -14.799 19.847 -5.901 1.00 96.53 C -15.206 20.809 -4.775 1.00 96.53 C -16.495 21.502 -5.074 1.00 96.53 N1+ -10.919 18.961 -3.055 1.00 97.13 N -11.265 18.617 -1.686 1.00 97.13 C -12.772 18.778 -1.460 1.00 97.13 C -13.391 19.672 -2.041 1.00 97.13 O -10.449 19.531 -0.766 1.00 97.13 C -9.036 19.026 -0.573 1.00 97.13 C -8.091 19.929 -0.503 1.00 97.13 N -8.778 17.835 -0.480 1.00 97.13 O -13.343 17.958 -0.575 1.00 94.34 N -14.724 18.132 -0.086 1.00 94.34 C -14.886 19.476 0.635 1.00 94.34 C -15.933 20.110 0.531 1.00 94.34 O -15.116 16.966 0.843 1.00 94.34 C -16.505 17.148 1.463 1.00 94.34 C -15.169 15.647 0.068 1.00 94.34 C -13.850 19.926 1.354 1.00 80.70 N -13.714 21.296 1.864 1.00 80.70 C -14.437 21.615 3.177 1.00 80.70 C -14.051 22.567 3.844 1.00 80.70 O -15.439 20.828 3.583 1.00 78.09 N -16.255 21.122 4.782 1.00 78.09 C -16.221 20.041 5.872 1.00 78.09 C -16.887 20.169 6.895 1.00 78.09 O -17.702 21.468 4.383 1.00 78.09 C -18.408 20.296 3.671 1.00 78.09 C -17.754 22.732 3.512 1.00 78.09 C -19.924 20.489 3.678 1.00 78.09 C -15.477 18.956 5.657 1.00 85.66 N -15.390 17.826 6.588 1.00 85.66 C -13.916 17.528 6.834 1.00 85.66 C -13.170 17.282 5.893 1.00 85.66 O -16.150 16.596 6.034 1.00 85.66 C -17.671 16.848 5.963 1.00 85.66 C -15.916 15.364 6.923 1.00 85.66 C -18.422 15.858 5.066 1.00 85.66 C -13.501 17.516 8.098 1.00 92.16 N -12.145 17.100 8.487 1.00 92.16 C -11.982 15.573 8.421 1.00 92.16 C -12.971 14.844 8.566 1.00 92.16 O -11.785 17.581 9.900 1.00 92.16 C -11.888 19.097 10.060 1.00 92.16 C -12.657 16.990 10.832 1.00 92.16 O -10.747 15.046 8.298 1.00 94.41 N -10.473 13.608 8.373 1.00 94.41 C -11.129 12.893 9.560 1.00 94.41 C -11.785 11.864 9.388 1.00 94.41 O -8.945 13.509 8.385 1.00 94.41 C -8.521 14.696 7.523 1.00 94.41 C -9.533 15.767 7.925 1.00 94.41 C -11.039 13.474 10.757 1.00 94.02 N -11.627 12.894 11.965 1.00 94.02 C -13.162 12.894 11.934 1.00 94.02 C -13.774 11.896 12.316 1.00 94.02 O -11.085 13.646 13.190 1.00 94.02 C -9.635 13.307 13.487 1.00 94.02 C -8.916 14.187 14.141 1.00 94.02 N -9.140 12.240 13.162 1.00 94.02 O -13.787 13.971 11.447 1.00 94.17 N -15.245 14.036 11.295 1.00 94.17 C -15.748 13.006 10.282 1.00 94.17 C -16.733 12.321 10.554 1.00 94.17 O -15.662 15.438 10.843 1.00 94.17 C -15.609 16.479 11.972 1.00 94.17 C -15.685 17.901 11.426 1.00 94.17 C -16.151 18.861 12.190 1.00 94.17 N -15.264 18.174 10.312 1.00 94.17 O -15.056 12.847 9.149 1.00 96.65 N -15.394 11.826 8.159 1.00 96.65 C -15.340 10.421 8.772 1.00 96.65 C -16.317 9.677 8.681 1.00 96.65 O -14.458 11.940 6.949 1.00 96.65 C -14.672 10.853 5.916 1.00 96.65 C -13.829 9.728 5.905 1.00 96.65 C -15.721 10.948 4.983 1.00 96.65 C -14.015 8.709 4.955 1.00 96.65 C -15.914 9.920 4.042 1.00 96.65 C -15.056 8.807 4.019 1.00 96.65 C -14.241 10.069 9.453 1.00 97.09 N -14.087 8.754 10.094 1.00 97.09 C -15.185 8.523 11.140 1.00 97.09 C -15.788 7.449 11.153 1.00 97.09 O -12.673 8.601 10.702 1.00 97.09 C -11.616 8.548 9.574 1.00 97.09 C -12.578 7.329 11.568 1.00 97.09 C -10.166 8.672 10.061 1.00 97.09 C -15.479 9.514 11.987 1.00 95.89 N -16.505 9.406 13.022 1.00 95.89 C -17.902 9.173 12.424 1.00 95.89 C -18.574 8.205 12.783 1.00 95.89 O -16.458 10.669 13.890 1.00 95.89 C -18.301 10.000 11.452 1.00 95.43 N -19.593 9.896 10.760 1.00 95.43 C -19.745 8.548 10.065 1.00 95.43 C -20.765 7.875 10.219 1.00 95.43 O -19.724 11.041 9.736 1.00 95.43 C -20.811 10.783 8.687 1.00 95.43 C -20.038 12.362 10.450 1.00 95.43 C -18.746 8.134 9.283 1.00 97.26 N -18.836 6.889 8.515 1.00 97.26 C -18.827 5.682 9.456 1.00 97.26 C -19.587 4.745 9.224 1.00 97.26 O -17.734 6.819 7.443 1.00 97.26 C -17.814 5.525 6.622 1.00 97.26 C -17.881 7.951 6.416 1.00 97.26 C -18.057 5.716 10.550 1.00 96.77 N -18.066 4.659 11.572 1.00 96.77 C -19.433 4.532 12.243 1.00 96.77 C -19.998 3.441 12.266 1.00 96.77 O -17.002 4.901 12.646 1.00 96.77 C -15.717 4.925 12.064 1.00 96.77 O -20.018 5.638 12.708 1.00 95.88 N -21.347 5.651 13.333 1.00 95.88 C -22.418 5.102 12.374 1.00 95.88 C -23.250 4.257 12.726 1.00 95.88 O -21.684 7.103 13.714 1.00 95.88 C -23.002 7.215 14.501 1.00 95.88 C -23.656 8.603 14.451 1.00 95.88 C -24.771 8.705 15.018 1.00 95.88 O -23.184 9.489 13.713 1.00 95.88 O1- -22.395 5.559 11.119 1.00 96.42 N -23.359 5.137 10.097 1.00 96.42 C -23.159 3.684 9.683 1.00 96.42 C -24.152 2.991 9.445 1.00 96.42 O -23.260 6.081 8.899 1.00 96.42 C -23.703 7.517 9.215 1.00 96.42 C -25.220 7.629 9.374 1.00 96.42 C -25.625 9.038 9.509 1.00 96.42 N -26.857 9.510 9.536 1.00 96.42 C -27.897 8.720 9.549 1.00 96.42 N1+ -27.074 10.792 9.549 1.00 96.42 N -21.920 3.199 9.664 1.00 95.98 N -21.596 1.790 9.474 1.00 95.98 C -22.158 0.935 10.613 1.00 95.98 C -22.883 -0.025 10.349 1.00 95.98 O -20.077 1.623 9.356 1.00 95.98 C -19.648 0.194 9.117 1.00 95.98 C -19.295 -0.653 10.183 1.00 95.98 C -19.601 -0.285 7.802 1.00 95.98 C -18.887 -1.975 9.925 1.00 95.98 C -19.194 -1.600 7.544 1.00 95.98 C -18.837 -2.452 8.603 1.00 95.98 C -21.906 1.318 11.870 1.00 95.17 N -22.432 0.620 13.045 1.00 95.17 C -23.962 0.518 12.997 1.00 95.17 C -24.503 -0.558 13.233 1.00 95.17 O -21.993 1.328 14.334 1.00 95.17 C -20.491 1.218 14.645 1.00 95.17 C -20.134 2.049 15.869 1.00 95.17 C -19.598 1.463 16.912 1.00 95.17 N -20.368 3.242 15.915 1.00 95.17 O -24.664 1.601 12.625 1.00 93.95 N -26.134 1.616 12.491 1.00 93.95 C -26.644 0.782 11.310 1.00 93.95 C -27.631 0.070 11.453 1.00 93.95 O -26.641 3.066 12.388 1.00 93.95 C -26.500 3.828 13.715 1.00 93.95 C -26.972 5.286 13.598 1.00 93.95 C -26.696 6.009 14.923 1.00 93.95 C -27.013 7.457 14.880 1.00 93.95 N1+ -25.991 0.862 10.150 1.00 93.72 N -26.462 0.215 8.907 1.00 93.72 C -26.208 -1.291 8.902 1.00 93.72 C -27.012 -2.053 8.372 1.00 93.72 O -25.799 0.853 7.674 1.00 93.72 C -26.317 0.303 6.345 1.00 93.72 C -26.040 2.245 7.663 1.00 93.72 O -25.098 -1.732 9.497 1.00 91.93 N -24.692 -3.136 9.523 1.00 91.93 C -24.945 -3.799 10.884 1.00 91.93 C -24.407 -4.876 11.138 1.00 91.93 O -23.238 -3.273 9.036 1.00 91.93 C -23.026 -2.858 7.592 1.00 91.93 C -23.171 -3.794 6.549 1.00 91.93 C -22.685 -1.528 7.288 1.00 91.93 C -22.981 -3.395 5.213 1.00 91.93 C -22.504 -1.127 5.956 1.00 91.93 C -22.650 -2.060 4.920 1.00 91.93 C -25.761 -3.217 11.766 1.00 85.97 N -26.155 -3.872 13.020 1.00 85.97 C -27.006 -5.111 12.716 1.00 85.97 C -27.972 -5.019 11.965 1.00 85.97 O -26.902 -2.869 13.915 1.00 85.97 C -26.919 -3.329 15.377 1.00 85.97 C -27.433 -2.228 16.317 1.00 85.97 C -27.416 -2.741 17.765 1.00 85.97 C -27.705 -1.671 18.757 1.00 85.97 N1+ -26.634 -6.268 13.265 1.00 79.12 N -27.475 -7.484 13.250 1.00 79.12 C -27.643 -7.961 14.683 1.00 79.12 C -28.730 -7.810 15.222 1.00 79.12 O -26.943 -8.573 12.294 1.00 79.12 C -27.665 -9.918 12.425 1.00 79.12 C -27.157 -8.135 10.840 1.00 79.12 C -26.545 -8.368 15.326 1.00 73.86 N -26.527 -8.794 16.726 1.00 73.86 C -25.431 -8.029 17.476 1.00 73.86 C -24.265 -8.056 17.077 1.00 73.86 O -26.295 -10.310 16.821 1.00 73.86 C -27.342 -11.127 16.060 1.00 73.86 C -28.542 -10.820 16.205 1.00 73.86 O -26.920 -12.037 15.308 1.00 73.86 O1- -25.807 -7.332 18.549 1.00 79.78 N -24.883 -6.522 19.345 1.00 79.78 C -24.416 -5.235 18.659 1.00 79.78 C -24.870 -4.857 17.576 1.00 79.78 O -23.537 -4.508 19.338 1.00 89.21 N -22.873 -3.335 18.773 1.00 89.21 C -21.658 -3.762 17.950 1.00 89.21 C -20.960 -4.711 18.297 1.00 89.21 O -22.488 -2.344 19.875 1.00 89.21 C -23.748 -1.819 20.579 1.00 89.21 C -23.469 -0.669 21.549 1.00 89.21 C -24.474 0.004 21.868 1.00 89.21 O -22.293 -0.473 21.918 1.00 89.21 O1- -21.402 -3.058 16.847 1.00 93.39 N -20.186 -3.254 16.057 1.00 93.39 C -19.054 -2.505 16.775 1.00 93.39 C -19.111 -1.274 16.820 1.00 93.39 O -20.413 -2.769 14.609 1.00 93.39 C -21.395 -3.718 13.893 1.00 93.39 C -19.094 -2.671 13.818 1.00 93.39 C -21.771 -3.302 12.467 1.00 93.39 C -18.036 -3.187 17.326 1.00 94.30 N -16.956 -2.522 18.044 1.00 94.30 C -16.048 -1.723 17.101 1.00 94.30 C -15.879 -2.068 15.925 1.00 94.30 O -16.202 -3.639 18.771 1.00 94.30 C -16.422 -4.845 17.862 1.00 94.30 C -17.841 -4.629 17.351 1.00 94.30 C -15.441 -0.669 17.650 1.00 96.00 N -14.384 0.117 17.009 1.00 96.00 C -13.079 -0.177 17.743 1.00 96.00 C -12.999 -0.030 18.960 1.00 96.00 O -14.695 1.632 17.005 1.00 96.00 C -16.074 1.910 16.362 1.00 96.00 C -13.568 2.395 16.276 1.00 96.00 C -16.468 3.391 16.309 1.00 96.00 C -12.061 -0.574 16.992 1.00 96.74 N -10.733 -0.862 17.505 1.00 96.74 C -9.696 0.098 16.931 1.00 96.74 C -9.835 0.591 15.810 1.00 96.74 O -10.365 -2.306 17.185 1.00 96.74 C -11.293 -3.354 17.761 1.00 96.74 C -11.316 -3.579 19.150 1.00 96.74 C -12.111 -4.120 16.908 1.00 96.74 C -12.154 -4.570 19.693 1.00 96.74 C -12.931 -5.130 17.444 1.00 96.74 C -12.959 -5.351 18.837 1.00 96.74 C -13.766 -6.314 19.351 1.00 96.74 O -8.623 0.316 17.687 1.00 97.52 N -7.524 1.195 17.302 1.00 97.52 C -6.223 0.409 17.187 1.00 97.52 C -5.918 -0.426 18.043 1.00 97.52 O -7.420 2.357 18.294 1.00 97.52 C -8.703 3.160 18.385 1.00 97.52 C -9.026 4.073 17.365 1.00 97.52 C -9.605 2.940 19.445 1.00 97.52 C -10.251 4.766 17.405 1.00 97.52 C -10.816 3.656 19.502 1.00 97.52 C -11.140 4.571 18.481 1.00 97.52 C -12.306 5.266 18.527 1.00 97.52 O -5.459 0.690 16.135 1.00 96.04 N -4.159 0.078 15.878 1.00 96.04 C -3.088 1.140 15.650 1.00 96.04 C -3.386 2.213 15.137 1.00 96.04 O -4.240 -0.838 14.650 1.00 96.04 C -5.345 -2.232 14.944 1.00 96.04 S -1.838 0.812 15.946 1.00 94.94 N -0.669 1.613 15.579 1.00 94.94 C 0.488 0.704 15.131 1.00 94.94 C 0.424 -0.521 15.257 1.00 94.94 O -0.276 2.565 16.732 1.00 94.94 C 0.329 1.881 17.966 1.00 94.94 C 0.638 0.676 17.897 1.00 94.94 O 0.484 2.542 19.013 1.00 94.94 O1- 1.553 1.302 14.604 1.00 93.60 N 2.711 0.558 14.096 1.00 93.60 C 3.636 -0.007 15.186 1.00 93.60 C 4.588 -0.717 14.869 1.00 93.60 O 3.457 1.418 13.070 1.00 93.60 C 4.195 2.619 13.678 1.00 93.60 C 4.498 3.637 12.578 1.00 93.60 C 3.956 4.759 12.690 1.00 93.60 O 5.097 3.255 11.546 1.00 93.60 O1- 3.352 0.256 16.466 1.00 94.18 N 4.220 -0.122 17.586 1.00 94.18 C 3.637 -1.267 18.421 1.00 94.18 C 4.319 -2.249 18.704 1.00 94.18 O 4.488 1.113 18.457 1.00 94.18 C 5.114 2.281 17.717 1.00 94.18 C 6.454 2.209 17.289 1.00 94.18 C 4.353 3.433 17.441 1.00 94.18 C 7.029 3.283 16.587 1.00 94.18 C 4.929 4.505 16.736 1.00 94.18 C 6.266 4.430 16.308 1.00 94.18 C 2.369 -1.160 18.825 1.00 94.64 N 1.663 -2.110 19.695 1.00 94.64 C 0.942 -3.190 18.909 1.00 94.64 C 0.880 -4.326 19.376 1.00 94.64 O 0.648 -1.357 20.566 1.00 94.64 C 1.325 -0.408 21.561 1.00 94.64 C 0.264 0.354 22.355 1.00 94.64 C 0.942 1.228 23.411 1.00 94.64 C -0.051 2.044 24.147 1.00 94.64 N1+ 0.400 -2.858 17.738 1.00 95.14 N -0.378 -3.798 16.919 1.00 95.14 C 0.462 -4.566 15.888 1.00 95.14 C -0.085 -5.344 15.108 1.00 95.14 O -1.543 -3.083 16.238 1.00 95.14 C -2.363 -2.373 17.151 1.00 95.14 O 1.783 -4.377 15.873 1.00 95.68 N 2.686 -5.005 14.905 1.00 95.68 C 2.932 -6.492 15.214 1.00 95.68 C 3.257 -6.868 16.337 1.00 95.68 O 3.980 -4.173 14.790 1.00 95.68 C 4.755 -4.576 13.522 1.00 95.68 C 4.863 -4.264 16.050 1.00 95.68 C 5.922 -3.635 13.196 1.00 95.68 C 2.817 -7.348 14.199 1.00 96.84 N 3.137 -8.779 14.261 1.00 96.84 C 4.006 -9.191 13.061 1.00 96.84 C 4.248 -8.380 12.166 1.00 96.84 O 1.831 -9.591 14.377 1.00 96.84 C 0.919 -9.483 13.168 1.00 96.84 C -0.367 -9.355 13.381 1.00 96.84 N 1.333 -9.524 12.022 1.00 96.84 O 4.473 -10.438 13.039 1.00 97.26 N 5.415 -10.907 12.015 1.00 97.26 C 4.823 -10.866 10.599 1.00 97.26 C 5.480 -10.394 9.678 1.00 97.26 O 5.928 -12.306 12.387 1.00 97.26 C 6.698 -12.315 13.715 1.00 97.26 C 7.239 -11.246 14.106 1.00 97.26 O 6.675 -13.379 14.369 1.00 97.26 O1- 3.543 -11.213 10.419 1.00 97.58 N 2.893 -11.120 9.102 1.00 97.58 C 2.787 -9.671 8.590 1.00 97.58 C 2.891 -9.426 7.385 1.00 97.58 O 1.475 -11.712 9.148 1.00 97.58 C 1.389 -13.228 9.361 1.00 97.58 C -0.026 -13.728 9.023 1.00 97.58 C -0.833 -14.013 9.934 1.00 97.58 O -0.350 -13.802 7.809 1.00 97.58 O1- 2.557 -8.707 9.490 1.00 98.10 N 2.549 -7.278 9.155 1.00 98.10 C 3.966 -6.827 8.791 1.00 98.10 C 4.131 -6.175 7.762 1.00 98.10 O 1.923 -6.438 10.294 1.00 98.10 C 0.404 -6.714 10.363 1.00 98.10 C 2.168 -4.929 10.101 1.00 98.10 C -0.295 -6.105 11.584 1.00 98.10 C 4.988 -7.216 9.565 1.00 97.93 N 6.396 -6.906 9.262 1.00 97.93 C 6.817 -7.463 7.905 1.00 97.93 C 7.387 -6.731 7.103 1.00 97.93 O 7.320 -7.471 10.347 1.00 97.93 C 7.212 -6.715 11.674 1.00 97.93 C 8.037 -7.445 12.736 1.00 97.93 C 7.884 -6.808 14.117 1.00 97.93 C 8.510 -7.683 15.137 1.00 97.93 N1+ 6.472 -8.710 7.600 1.00 98.12 N 6.775 -9.340 6.311 1.00 98.12 C 6.113 -8.599 5.142 1.00 98.12 C 6.724 -8.379 4.089 1.00 98.12 O 6.287 -10.796 6.325 1.00 98.12 C 7.104 -11.725 7.225 1.00 98.12 C 8.237 -11.339 7.592 1.00 98.12 O 6.592 -12.845 7.455 1.00 98.12 O1- 4.861 -8.168 5.323 1.00 98.03 N 4.159 -7.365 4.331 1.00 98.03 C 4.779 -5.965 4.176 1.00 98.03 C 4.904 -5.497 3.044 1.00 98.03 O 2.671 -7.317 4.691 1.00 98.03 C 5.211 -5.320 5.266 1.00 98.29 N 5.940 -4.044 5.225 1.00 98.29 C 7.265 -4.190 4.471 1.00 98.29 C 7.497 -3.450 3.517 1.00 98.29 O 6.200 -3.510 6.643 1.00 98.29 C 4.924 -3.015 7.326 1.00 98.29 C 5.123 -2.538 9.062 1.00 98.29 S 6.176 -1.071 8.890 1.00 98.29 C 8.066 -5.205 4.808 1.00 98.13 N 9.324 -5.524 4.130 1.00 98.13 C 9.103 -5.749 2.629 1.00 98.13 C 9.832 -5.217 1.792 1.00 98.13 O 9.931 -6.784 4.776 1.00 98.13 C 10.455 -6.556 6.183 1.00 98.13 C 10.581 -7.597 6.972 1.00 98.13 N 10.786 -5.457 6.585 1.00 98.13 O 8.041 -6.480 2.272 1.00 98.20 N 7.646 -6.672 0.871 1.00 98.20 C 7.340 -5.331 0.206 1.00 98.20 C 7.905 -5.039 -0.842 1.00 98.20 O 6.433 -7.603 0.743 1.00 98.20 C 6.045 -7.850 -0.718 1.00 98.20 C 6.708 -8.865 1.305 1.00 98.20 O 6.492 -4.493 0.810 1.00 97.87 N 6.105 -3.187 0.263 1.00 97.87 C 7.294 -2.222 0.111 1.00 97.87 C 7.302 -1.416 -0.819 1.00 97.87 O 5.031 -2.559 1.168 1.00 97.87 C 3.649 -3.230 1.104 1.00 97.87 C 2.818 -2.788 2.307 1.00 97.87 C 2.895 -2.841 -0.169 1.00 97.87 C 8.285 -2.308 1.001 1.00 97.25 N 9.508 -1.504 0.971 1.00 97.25 C 10.525 -2.002 -0.065 1.00 97.25 C 11.275 -1.184 -0.602 1.00 97.25 O 10.133 -1.476 2.374 1.00 97.25 C 9.300 -0.611 3.329 1.00 97.25 C 9.809 -0.660 4.760 1.00 97.25 C 10.111 0.468 5.365 1.00 97.25 N 9.925 -1.710 5.363 1.00 97.25 O 10.523 -3.300 -0.381 1.00 96.97 N 11.493 -3.917 -1.289 1.00 96.97 C 11.423 -3.375 -2.720 1.00 96.97 C 10.345 -3.170 -3.291 1.00 96.97 O 11.346 -5.445 -1.298 1.00 96.97 C 10.196 -5.860 -2.015 1.00 96.97 O 12.587 -3.229 -3.355 1.00 94.13 N 12.661 -2.903 -4.783 1.00 94.13 C 12.059 -4.013 -5.652 1.00 94.13 C 11.386 -3.720 -6.644 1.00 94.13 O 14.106 -2.604 -5.193 1.00 94.13 C 14.612 -1.347 -4.474 1.00 94.13 C 15.767 -0.699 -5.235 1.00 94.13 C 15.549 0.431 -5.746 1.00 94.13 O 16.838 -1.324 -5.299 1.00 94.13 O1- 12.173 -5.271 -5.204 1.00 94.90 N 11.536 -6.425 -5.838 1.00 94.90 C 10.038 -6.234 -6.042 1.00 94.90 C 9.488 -6.583 -7.089 1.00 94.90 O 11.834 -7.702 -5.034 1.00 94.90 C 11.382 -8.976 -5.773 1.00 94.90 C 12.105 -9.175 -7.104 1.00 94.90 C 11.435 -9.590 -8.155 1.00 94.90 N 13.285 -8.936 -7.235 1.00 94.90 O 9.365 -5.650 -5.059 1.00 96.63 N 7.948 -5.375 -5.171 1.00 96.63 C 7.660 -4.076 -5.924 1.00 96.63 C 6.787 -4.055 -6.793 1.00 96.63 O 7.354 -5.361 -3.777 1.00 96.63 C 5.872 -5.260 -3.782 1.00 96.63 C 5.172 -4.196 -3.345 1.00 96.63 C 4.897 -6.208 -4.307 1.00 96.63 C 3.602 -5.633 -4.165 1.00 96.63 C 4.974 -7.482 -4.911 1.00 96.63 C 3.831 -4.427 -3.547 1.00 96.63 N 2.439 -6.271 -4.617 1.00 96.63 C 3.812 -8.142 -5.358 1.00 96.63 C 2.549 -7.538 -5.215 1.00 96.63 C 8.384 -2.988 -5.645 1.00 95.22 N 8.126 -1.687 -6.285 1.00 95.22 C 8.387 -1.733 -7.797 1.00 95.22 C 7.484 -1.416 -8.583 1.00 95.22 O 8.962 -0.593 -5.599 1.00 95.22 C 8.554 -0.351 -4.136 1.00 95.22 C 9.495 0.672 -3.482 1.00 95.22 C 9.242 0.727 -1.975 1.00 95.22 C 10.173 1.640 -1.267 1.00 95.22 N1+ 9.575 -2.199 -8.187 1.00 93.60 N 10.114 -2.117 -9.546 1.00 93.60 C 10.034 -3.440 -10.318 1.00 93.60 C 9.696 -3.430 -11.502 1.00 93.60 O 11.555 -1.579 -9.488 1.00 93.60 C 11.681 -0.215 -8.824 1.00 93.60 C 11.400 0.958 -9.550 1.00 93.60 C 12.093 -0.116 -7.483 1.00 93.60 C 11.492 2.218 -8.930 1.00 93.60 C 12.204 1.141 -6.859 1.00 93.60 C 11.893 2.313 -7.582 1.00 93.60 C 12.002 3.532 -6.996 1.00 93.60 O 10.248 -4.582 -9.656 1.00 93.74 N 10.392 -5.884 -10.332 1.00 93.74 C 9.115 -6.749 -10.367 1.00 93.74 C 9.146 -7.890 -10.825 1.00 93.74 O 11.615 -6.631 -9.765 1.00 93.74 C 12.914 -5.833 -9.745 1.00 93.74 C 13.313 -5.129 -10.890 1.00 93.74 C 13.765 -5.811 -8.623 1.00 93.74 C 14.483 -4.357 -10.906 1.00 93.74 C 14.913 -5.004 -8.610 1.00 93.74 C 15.266 -4.267 -9.747 1.00 93.74 C 7.964 -6.226 -9.925 1.00 92.93 N 6.683 -6.966 -9.915 1.00 92.93 C 5.638 -6.475 -10.930 1.00 92.93 C 4.538 -7.028 -11.003 1.00 92.93 O 6.105 -6.998 -8.500 1.00 92.93 C 5.469 -5.779 -8.201 1.00 92.93 O 5.966 -5.433 -11.701 1.00 91.15 N 5.075 -4.835 -12.694 1.00 91.15 C 4.835 -5.702 -13.945 1.00 91.15 C 5.461 -6.751 -14.117 1.00 91.15 O 3.922 -5.266 -14.834 1.00 93.73 N 3.670 -5.916 -16.121 1.00 93.73 C 4.890 -5.823 -17.052 1.00 93.73 C 5.766 -4.981 -16.856 1.00 93.73 O 2.462 -5.177 -16.708 1.00 93.73 C 2.639 -3.765 -16.152 1.00 93.73 C 3.197 -4.007 -14.755 1.00 93.73 C 4.920 -6.666 -18.092 1.00 95.02 N 5.907 -6.536 -19.171 1.00 95.02 C 5.657 -5.247 -19.955 1.00 95.02 C 4.503 -4.854 -20.149 1.00 95.02 O 5.892 -7.739 -20.129 1.00 95.02 C 6.037 -9.099 -19.431 1.00 95.02 C 6.316 -10.210 -20.454 1.00 95.02 C 6.101 -11.587 -19.821 1.00 95.02 C 6.897 -12.642 -20.489 1.00 95.02 N1+ 6.728 -4.630 -20.429 1.00 95.46 N 6.661 -3.462 -21.301 1.00 95.46 C 7.844 -3.441 -22.269 1.00 95.46 C 8.838 -4.142 -22.071 1.00 95.46 O 6.573 -2.180 -20.454 1.00 95.46 C 7.790 -1.876 -19.603 1.00 95.46 C 7.899 -2.409 -18.305 1.00 95.46 C 8.803 -1.039 -20.103 1.00 95.46 C 9.015 -2.101 -17.507 1.00 95.46 C 9.920 -0.734 -19.308 1.00 95.46 C 10.021 -1.259 -18.010 1.00 95.46 C 7.731 -2.637 -23.317 1.00 95.62 N 8.807 -2.337 -24.251 1.00 95.62 C 8.939 -0.840 -24.474 1.00 95.62 C 7.954 -0.102 -24.420 1.00 95.62 O 8.645 -3.093 -25.573 1.00 95.62 C 7.347 -2.980 -26.111 1.00 95.62 O 10.170 -0.401 -24.714 1.00 94.39 N 10.524 0.996 -24.957 1.00 94.39 C 11.370 1.070 -26.218 1.00 94.39 C 12.385 0.384 -26.314 1.00 94.39 O 11.269 1.625 -23.764 1.00 94.39 C 11.418 3.140 -23.953 1.00 94.39 C 10.513 1.379 -22.455 1.00 94.39 C 10.958 1.896 -27.179 1.00 94.01 N 11.763 2.245 -28.356 1.00 94.01 C 12.377 3.621 -28.144 1.00 94.01 C 11.648 4.578 -27.899 1.00 94.01 O 10.915 2.220 -29.632 1.00 94.01 C 10.406 0.822 -30.002 1.00 94.01 C 9.321 0.937 -31.077 1.00 94.01 C 8.788 -0.449 -31.454 1.00 94.01 C 7.376 -0.374 -31.907 1.00 94.01 N1+ 13.695 3.722 -28.248 1.00 91.88 N 14.477 4.948 -28.074 1.00 91.88 C 14.977 5.372 -29.458 1.00 91.88 C 15.916 4.782 -29.996 1.00 91.88 O 15.621 4.708 -27.063 1.00 91.88 C 15.090 4.221 -25.695 1.00 91.88 C 16.432 5.999 -26.894 1.00 91.88 C 16.189 3.743 -24.743 1.00 91.88 C 14.298 6.351 -30.069 1.00 88.93 N 14.434 6.673 -31.504 1.00 88.93 C 15.826 7.138 -31.918 1.00 88.93 C 16.324 6.722 -32.955 1.00 88.93 O 13.431 7.767 -31.890 1.00 88.93 C 11.996 7.248 -31.902 1.00 88.93 C 11.038 8.372 -32.304 1.00 88.93 C 9.656 7.745 -32.327 1.00 88.93 C 8.558 8.708 -32.551 1.00 88.93 N1+ 16.428 8.011 -31.126 1.00 86.81 N 17.747 8.605 -31.363 1.00 86.81 C 18.889 7.591 -31.236 1.00 86.81 C 19.883 7.706 -31.945 1.00 86.81 O 17.954 9.782 -30.392 1.00 86.81 C 17.867 9.393 -28.910 1.00 86.81 C 17.064 8.486 -28.588 1.00 86.81 O 18.502 10.054 -28.071 1.00 86.81 O1- 18.729 6.574 -30.382 1.00 84.47 N 19.708 5.486 -30.219 1.00 84.47 C 19.410 4.260 -31.090 1.00 84.47 C 20.218 3.339 -31.128 1.00 84.47 O 19.843 5.120 -28.732 1.00 84.47 C 20.324 6.294 -27.857 1.00 84.47 C 20.482 5.838 -26.399 1.00 84.47 C 20.837 6.978 -25.432 1.00 84.47 C 22.287 7.268 -25.380 1.00 84.47 N1+ 18.254 4.217 -31.761 1.00 87.36 N 17.814 3.055 -32.537 1.00 87.36 C 17.648 1.786 -31.693 1.00 87.36 C 17.878 0.696 -32.202 1.00 87.36 O 17.296 1.925 -30.408 1.00 90.82 N 17.195 0.803 -29.470 1.00 90.82 C 15.742 0.443 -29.191 1.00 90.82 C 14.956 1.288 -28.766 1.00 90.82 O 17.913 1.120 -28.143 1.00 90.82 C 19.425 1.347 -28.256 1.00 90.82 C 19.989 1.766 -26.896 1.00 90.82 C 20.165 0.097 -28.727 1.00 90.82 C 15.416 -0.833 -29.323 1.00 94.10 N 14.199 -1.442 -28.794 1.00 94.10 C 14.567 -2.275 -27.578 1.00 94.10 C 15.393 -3.177 -27.661 1.00 94.10 O 13.510 -2.310 -29.850 1.00 94.10 C 12.130 -2.773 -29.377 1.00 94.10 C 13.328 -1.567 -31.031 1.00 94.10 O 13.956 -1.979 -26.435 1.00 94.70 N 14.219 -2.644 -25.156 1.00 94.70 C 12.930 -3.305 -24.697 1.00 94.70 C 11.897 -2.641 -24.617 1.00 94.70 O 14.731 -1.629 -24.110 1.00 94.70 C 15.970 -0.880 -24.647 1.00 94.70 C 15.066 -2.340 -22.786 1.00 94.70 C 16.531 0.175 -23.699 1.00 94.70 C 12.971 -4.593 -24.355 1.00 96.34 N 11.854 -5.294 -23.714 1.00 96.34 C 12.220 -5.672 -22.289 1.00 96.34 C 13.291 -6.213 -22.014 1.00 96.34 O 11.407 -6.523 -24.503 1.00 96.34 C 11.200 -6.272 -26.002 1.00 96.34 C 10.648 -7.533 -26.672 1.00 96.34 C 10.572 -7.321 -28.185 1.00 96.34 C 10.858 -8.582 -28.903 1.00 96.34 N1+ 11.288 -5.401 -21.384 1.00 95.78 N 11.492 -5.512 -19.945 1.00 95.78 C 10.449 -6.441 -19.339 1.00 95.78 C 9.246 -6.317 -19.580 1.00 95.78 O 11.471 -4.126 -19.283 1.00 95.78 C 11.815 -4.222 -17.792 1.00 95.78 C 12.480 -3.173 -19.931 1.00 95.78 C 10.914 -7.371 -18.513 1.00 94.35 N 10.087 -8.280 -17.730 1.00 94.35 C 10.635 -8.343 -16.309 1.00 94.35 C 11.834 -8.496 -16.105 1.00 94.35 O 10.027 -9.667 -18.390 1.00 94.35 C 9.286 -10.675 -17.495 1.00 94.35 C 8.880 -11.968 -18.207 1.00 94.35 C 7.987 -12.666 -17.670 1.00 94.35 O 9.289 -12.214 -19.360 1.00 94.35 O1- 9.751 -8.200 -15.310 1.00 91.32 N 10.146 -8.133 -13.892 1.00 91.32 C 11.248 -7.089 -13.647 1.00 91.32 C 12.160 -7.319 -12.870 1.00 91.32 O 10.538 -9.531 -13.378 1.00 91.32 C 9.395 -10.549 -13.479 1.00 91.32 C 9.911 -11.926 -13.062 1.00 91.32 C 8.810 -12.973 -13.223 1.00 91.32 C 9.340 -14.325 -12.929 1.00 91.32 N1+ 11.156 -5.962 -14.361 1.00 91.44 N 12.111 -4.845 -14.378 1.00 91.44 C 13.535 -5.175 -14.850 1.00 91.44 C 14.397 -4.305 -14.762 1.00 91.44 O 13.757 -6.366 -15.410 1.00 94.05 N 15.002 -6.761 -16.069 1.00 94.05 C 14.853 -6.654 -17.584 1.00 94.05 C 13.816 -7.034 -18.140 1.00 94.05 O 15.375 -8.202 -15.691 1.00 94.05 C 15.487 -8.424 -14.180 1.00 94.05 C 16.630 -7.325 -13.311 1.00 94.05 S 18.211 -7.866 -14.005 1.00 94.05 C 15.891 -6.167 -18.258 1.00 95.50 N 15.965 -6.177 -19.720 1.00 95.50 C 16.205 -7.621 -20.166 1.00 95.50 C 17.233 -8.205 -19.832 1.00 95.50 O 17.071 -5.220 -20.216 1.00 95.50 C 16.779 -3.774 -19.745 1.00 95.50 C 17.171 -5.312 -21.752 1.00 95.50 C 17.875 -2.757 -20.085 1.00 95.50 C 15.256 -8.212 -20.894 1.00 95.36 N 15.376 -9.601 -21.365 1.00 95.36 C 15.627 -9.708 -22.870 1.00 95.36 C 16.045 -10.762 -23.340 1.00 95.36 O 14.145 -10.415 -20.948 1.00 95.36 C 12.905 -10.168 -21.786 1.00 95.36 C 11.983 -9.182 -21.398 1.00 95.36 C 12.683 -10.915 -22.959 1.00 95.36 C 10.826 -8.951 -22.166 1.00 95.36 C 11.536 -10.681 -23.741 1.00 95.36 C 10.604 -9.703 -23.341 1.00 95.36 C 9.491 -9.472 -24.088 1.00 95.36 O 15.353 -8.642 -23.618 1.00 95.12 N 15.549 -8.576 -25.062 1.00 95.12 C 15.866 -7.128 -25.443 1.00 95.12 C 15.198 -6.195 -24.980 1.00 95.12 O 14.287 -9.111 -25.757 1.00 95.12 C 14.381 -9.192 -27.278 1.00 95.12 C 15.510 -9.287 -27.791 1.00 95.12 O 13.292 -9.189 -27.912 1.00 95.12 O1- 16.919 -6.939 -26.229 1.00 92.29 N 17.359 -5.637 -26.703 1.00 92.29 C 18.188 -5.787 -27.979 1.00 92.29 C 18.951 -6.742 -28.101 1.00 92.29 O 18.165 -4.932 -25.599 1.00 92.29 C 18.550 -3.233 -26.108 1.00 92.29 S 18.110 -4.805 -28.882 1.00 88.65 N 18.969 -4.736 -30.077 1.00 88.65 C 20.472 -4.722 -29.719 1.00 88.65 C 21.321 -5.173 -30.489 1.00 88.65 O 18.606 -3.479 -30.889 1.00 88.65 C 17.156 -3.486 -31.394 1.00 88.65 C 16.689 -4.544 -31.864 1.00 88.65 O 16.485 -2.436 -31.258 1.00 88.65 O1- 20.803 -4.235 -28.516 1.00 88.58 N 22.137 -4.269 -27.915 1.00 88.58 C 22.242 -5.383 -26.875 1.00 88.58 C 21.725 -5.267 -25.764 1.00 88.58 O 22.445 -2.894 -27.311 1.00 88.58 C 23.127 -1.976 -28.331 1.00 88.58 C 23.557 -0.655 -27.683 1.00 88.58 C 24.623 -0.833 -26.676 1.00 88.58 N 25.400 0.126 -26.205 1.00 88.58 C 25.334 1.362 -26.624 1.00 88.58 N1+ 26.280 -0.131 -25.290 1.00 88.58 N 22.970 -6.445 -27.222 1.00 89.25 N 23.149 -7.624 -26.365 1.00 89.25 C 23.806 -7.316 -25.008 1.00 89.25 C 23.551 -8.029 -24.043 1.00 89.25 O 23.988 -8.674 -27.116 1.00 89.25 C 23.222 -9.388 -28.213 1.00 89.25 C 23.904 -9.894 -29.212 1.00 89.25 N 22.017 -9.534 -28.187 1.00 89.25 O 24.629 -6.268 -24.913 1.00 90.25 N 25.305 -5.870 -23.672 1.00 90.25 C 24.351 -5.296 -22.611 1.00 90.25 C 24.704 -5.230 -21.435 1.00 90.25 O 26.430 -4.881 -24.010 1.00 90.25 C 25.924 -3.565 -24.610 1.00 90.25 C 25.297 -3.588 -25.694 1.00 90.25 O 26.198 -2.497 -24.029 1.00 90.25 O1- 23.131 -4.919 -23.009 1.00 90.67 N 22.099 -4.419 -22.099 1.00 90.67 C 21.224 -5.535 -21.514 1.00 90.67 C 20.493 -5.309 -20.548 1.00 90.67 O 21.247 -3.367 -22.832 1.00 90.67 C 22.041 -2.170 -23.391 1.00 90.67 C 21.081 -1.184 -24.058 1.00 90.67 C 22.807 -1.413 -22.305 1.00 90.67 C 21.270 -6.738 -22.091 1.00 93.24 N 20.455 -7.869 -21.645 1.00 93.24 C 20.936 -8.326 -20.263 1.00 93.24 C 22.121 -8.547 -20.032 1.00 93.24 O 20.450 -9.006 -22.691 1.00 93.24 C 19.882 -8.491 -24.038 1.00 93.24 C 19.624 -10.201 -22.174 1.00 93.24 C 19.909 -9.521 -25.175 1.00 93.24 C 19.996 -8.486 -19.331 1.00 92.37 N 20.267 -8.846 -17.941 1.00 92.37 C 20.500 -7.654 -17.011 1.00 92.37 C 20.604 -7.864 -15.805 1.00 92.37 O 20.530 -6.418 -17.524 1.00 93.20 N 20.580 -5.220 -16.686 1.00 93.20 C 19.201 -4.874 -16.110 1.00 93.20 C 18.151 -5.147 -16.705 1.00 93.20 O 21.174 -4.031 -17.462 1.00 93.20 C 22.610 -4.228 -17.986 1.00 93.20 C 23.068 -2.946 -18.682 1.00 93.20 C 23.605 -4.537 -16.864 1.00 93.20 C 19.206 -4.222 -14.950 1.00 94.10 N 18.009 -3.614 -14.377 1.00 94.10 C 17.596 -2.395 -15.203 1.00 94.10 C 18.384 -1.472 -15.421 1.00 94.10 O 18.252 -3.174 -12.930 1.00 94.10 C 18.517 -4.352 -11.983 1.00 94.10 C 18.701 -3.905 -10.528 1.00 94.10 C 18.947 -4.796 -9.686 1.00 94.10 O 18.529 -2.691 -10.261 1.00 94.10 O1- 16.328 -2.338 -15.608 1.00 93.44 N 15.828 -1.220 -16.406 1.00 93.44 C 15.920 0.122 -15.663 1.00 93.44 C 16.137 1.156 -16.287 1.00 93.44 O 14.391 -1.508 -16.840 1.00 93.44 C 13.823 -0.404 -17.706 1.00 93.44 C 12.968 0.563 -17.149 1.00 93.44 C 14.212 -0.300 -19.054 1.00 93.44 C 12.468 1.604 -17.945 1.00 93.44 C 13.713 0.743 -19.853 1.00 93.44 C 12.841 1.695 -19.299 1.00 93.44 C 15.797 0.111 -14.328 1.00 90.70 N 15.986 1.300 -13.485 1.00 90.70 C 17.395 1.876 -13.646 1.00 90.70 C 17.531 3.047 -13.981 1.00 90.70 O 15.701 0.934 -12.021 1.00 90.70 C 15.921 2.125 -11.073 1.00 90.70 C 15.530 1.733 -9.647 1.00 90.70 C 15.853 2.882 -8.691 1.00 90.70 C 16.369 2.358 -7.406 1.00 90.70 N1+ 18.416 1.037 -13.461 1.00 89.76 N 19.814 1.441 -13.613 1.00 89.76 C 20.142 1.871 -15.043 1.00 89.76 C 20.863 2.848 -15.233 1.00 89.76 O 19.556 1.206 -16.044 1.00 89.87 N 19.650 1.635 -17.441 1.00 89.87 C 19.072 3.044 -17.649 1.00 89.87 C 19.734 3.898 -18.232 1.00 89.87 O 18.949 0.611 -18.345 1.00 89.87 C 18.746 1.120 -19.757 1.00 89.87 C 17.516 1.701 -20.127 1.00 89.87 C 19.823 1.120 -20.661 1.00 89.87 C 17.378 2.307 -21.387 1.00 89.87 C 19.678 1.709 -21.927 1.00 89.87 C 18.462 2.315 -22.284 1.00 89.87 C 17.856 3.301 -17.155 1.00 87.56 N 17.166 4.578 -17.340 1.00 87.56 C 17.894 5.733 -16.635 1.00 87.56 C 17.987 6.822 -17.192 1.00 87.56 O 15.715 4.426 -16.847 1.00 87.56 C 14.813 5.637 -17.148 1.00 87.56 C 14.579 5.818 -18.651 1.00 87.56 C 13.451 5.440 -16.479 1.00 87.56 C 18.438 5.492 -15.440 1.00 85.82 N 19.225 6.475 -14.681 1.00 85.82 C 20.554 6.837 -15.366 1.00 85.82 C 21.049 7.946 -15.185 1.00 85.82 O 19.484 5.933 -13.261 1.00 85.82 C 18.220 5.958 -12.376 1.00 85.82 C 18.388 5.283 -10.998 1.00 85.82 C 17.415 5.327 -10.200 1.00 85.82 O 19.458 4.700 -10.718 1.00 85.82 O1- 21.114 5.935 -16.179 1.00 85.01 N 22.400 6.117 -16.859 1.00 85.01 C 22.259 6.200 -18.385 1.00 85.01 C 23.224 5.948 -19.106 1.00 85.01 O 23.372 5.016 -16.408 1.00 85.01 C 23.696 5.100 -14.937 1.00 85.01 C 23.137 4.223 -14.141 1.00 85.01 N 24.438 5.954 -14.486 1.00 85.01 O 21.077 6.544 -18.902 1.00 81.99 N 20.768 6.479 -20.338 1.00 81.99 C 21.759 7.249 -21.229 1.00 81.99 C 22.077 6.811 -22.340 1.00 81.99 O 19.320 6.939 -20.569 1.00 81.99 C 18.939 6.601 -22.021 1.00 81.99 C 19.107 8.432 -20.246 1.00 81.99 C 17.450 6.729 -22.278 1.00 81.99 C 22.293 8.360 -20.725 1.00 79.89 N 23.256 9.201 -21.438 1.00 79.89 C 24.645 8.560 -21.531 1.00 79.89 C 25.387 8.844 -22.463 1.00 79.89 O 23.337 10.573 -20.755 1.00 79.89 C 22.020 11.350 -20.844 1.00 79.89 C 21.292 11.160 -21.845 1.00 79.89 O 21.747 12.115 -19.894 1.00 79.89 O1- 24.982 7.642 -20.620 1.00 80.16 N 26.239 6.883 -20.676 1.00 80.16 C 26.235 5.795 -21.755 1.00 80.16 C 27.295 5.346 -22.186 1.00 80.16 O 26.560 6.276 -19.308 1.00 80.16 C 25.748 5.155 -19.023 1.00 80.16 O 25.050 5.394 -22.225 1.00 68.43 N 24.874 4.384 -23.266 1.00 68.43 C 24.720 5.052 -24.635 1.00 68.43 C 23.693 4.897 -25.298 1.00 68.43 O 23.698 3.460 -22.916 1.00 68.43 C 23.839 2.739 -21.592 1.00 68.43 C 24.690 1.624 -21.476 1.00 68.43 C 23.109 3.180 -20.475 1.00 68.43 C 24.816 0.956 -20.242 1.00 68.43 C 23.230 2.518 -19.243 1.00 68.43 C 24.089 1.409 -19.120 1.00 68.43 C 24.190 0.761 -17.930 1.00 68.43 O 25.680 5.887 -25.030 1.00 60.25 N 25.808 6.387 -26.414 1.00 60.25 C 26.585 5.423 -27.283 1.00 60.25 C 27.607 4.894 -26.791 1.00 60.25 O 26.437 7.774 -26.490 1.00 60.25 C 25.448 8.837 -26.016 1.00 60.25 C 27.590 7.792 -25.691 1.00 60.25 O 26.089 5.215 -28.407 1.00 60.25 O1- id="glmol01_rep" style="display: none;"> 1214,1225,1233,1241,1252,1299,1305,1310,1317,1491,1500,1508,1516,1574,1581,1589,1619,1627,1634,1642,1654,1660,1672,1680,1687,1925,1933,1941,1969,1973,1981,1989,1997,2018,2029,2038,2046,2056,2062,2067,2079,2088,2096,2109,2118,2123,2135,2145,2155,2160,2167,2175,2328,2336,2345,2359,2368,2684,2692,2704,2716,2964,2975,2981,2988,2997,3031,3035,3043,3050,3058,3067,3074,3096,3104,3112,3124,3132 376,382,390,402,411,419,427,584,591,598,607,612,618,624,632,641,650,658,666,672,677,688,696,705,713,721,733,741,752,764,772,841,846,852,861,869,878,886,894,901,1007,1014,1026,1038,1046,1054,1059,1067,1076,1084,1096,1103,1114,1123,1363,1371,1385,1394,1418,1426,1431,1440,1448,1457,1463,1693,1704,1713,1749,1758,1769,1780,1788,1797,1805,1813,1821,1830,1844,1852,1860,1866,1882,1889,1898,2212,2220,2229,2238,2497,2504,2512,2521,2532,2540,2545,2552,2559,2565,2574,2585,2596,2605,2614,2621,2781,2789,2798,2806,2815,2823,2828,2836,2844,2851,2859,2874,2883,2892,2906,2915,2927,3005,3014,3022,3157,3165,3173,3210,3221,3230,3234,3245,3253,3262,3270,3278,3286 8,15-79,86-3310 77.719,-90.502,90.502,0.450,20.000,-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

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