Q12089 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	ATPase expression protein 3
Uniprot ID	Q12089
Systematic gene name	YPL005W
Standard gene name	AEP3
Gene names	AEP3 YPL005W YP8132.08
Description from SGD	YPL005W AEP3 SGDID:S000005926, Chr XVI from 548486-550306, Genome Release 64-3-1, Verified ORF, "Peripheral mitochondrial inner membrane protein; may facilitate use of unformylated tRNA-Met in mitochondrial translation initiation; stabilizes the bicistronic AAP1-ATP6 mRNA"
Protein length	606
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MNTLRCLTQA LSKSGREAPK LYQKVIFPGL FREGIPIANV KKVDEKIIDS
PTSTSVNGEA KKIVRHGVKY EREQVKEYLS SLPTLTLSRK QIRDDYDEER
AKRMYMFSKQ TNSSNKFQKL LTAKSQEFTR ELLTLLIDCT SNEKNSGPER
FTRKFLKFSN DEIPPLPDFS KNPQLFENYI GILSHTKFNF RSSSKLNGIV
RKMLRHLLHP TNKTTLPLRS AQVYNDSIYF FSEHFDFASC REIFAQMKAE
GTKPNTITFN LLLRNVVKNS HIRKTKHPDD EVLFYLRSMR NHGVFADVIT
WTTCYNFLRD EVSRQLYIVQ MGEHLGNFNV NFVYTVLRNG DYRAEDCLKV
LAANSLPISR KTFYLCIERL LNEEQLETAS KLLDYGFQHL KSNFKLDSEA
MNHFMRVFAN KGRSDLAFLC YNTCRKIYKI KPDSQTFEML FKALVRNGNT
KNFGAVLQYI KDLKVSEGFG LRTSYWRTKA DSIFKFGSPN TLSEKSIEKA
RKLLGNLIAS EGEFSWKIWK ESDSSQKKIL RFLGCIPTTL RCTNTAQDHQ
KPTNLPSNIS QKKREYRNRV KAIATKAALE KRMAYIKDND VAFKKELVKR
RIVGEV

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;"> -8.455 31.615 -3.898 1.00 49.49 N -7.338 31.240 -2.999 1.00 49.49 C -6.776 29.887 -3.433 1.00 49.49 C -7.483 29.155 -4.108 1.00 49.49 O -7.799 31.156 -1.538 1.00 49.49 C -8.170 32.497 -0.903 1.00 49.49 C -8.399 32.311 0.880 1.00 49.49 S -9.541 33.677 1.230 1.00 49.49 C -5.524 29.561 -3.095 1.00 81.62 N -4.961 28.213 -3.282 1.00 81.62 C -5.313 27.360 -2.046 1.00 81.62 C -5.199 27.862 -0.925 1.00 81.62 O -3.439 28.353 -3.547 1.00 81.62 C -2.675 27.044 -3.734 1.00 81.62 C -1.447 27.098 -4.191 1.00 81.62 N -3.135 25.965 -3.417 1.00 81.62 O -5.702 26.095 -2.226 1.00 86.66 N -5.970 25.124 -1.146 1.00 86.66 C -4.855 25.076 -0.097 1.00 86.66 C -5.147 24.989 1.093 1.00 86.66 O -6.146 23.735 -1.768 1.00 86.66 C -6.417 22.606 -0.779 1.00 86.66 C -7.255 23.767 -2.626 1.00 86.66 O -3.584 25.229 -0.492 1.00 86.06 N -2.464 25.294 0.458 1.00 86.06 C -2.516 26.517 1.385 1.00 86.06 C -2.151 26.412 2.552 1.00 86.06 O -1.128 25.296 -0.301 1.00 86.06 C -0.808 24.014 -1.084 1.00 86.06 C 0.619 24.118 -1.621 1.00 86.06 C -0.924 22.753 -0.229 1.00 86.06 C -2.987 27.673 0.897 1.00 84.65 N -3.176 28.866 1.744 1.00 84.65 C -4.312 28.648 2.739 1.00 84.65 C -4.151 28.987 3.904 1.00 84.65 O -3.437 30.134 0.914 1.00 84.65 C -2.215 30.608 0.113 1.00 84.65 C -2.523 31.958 -0.552 1.00 84.65 C -1.387 32.466 -1.348 1.00 84.65 N -1.362 33.583 -2.061 1.00 84.65 C -2.386 34.389 -2.130 1.00 84.65 N1+ -0.294 33.921 -2.727 1.00 84.65 N -5.412 28.042 2.287 1.00 85.00 N -6.536 27.674 3.148 1.00 85.00 C -6.095 26.687 4.242 1.00 85.00 C -6.388 26.902 5.413 1.00 85.00 O -7.647 27.105 2.255 1.00 85.00 C -9.125 26.739 3.234 1.00 85.00 S -5.296 25.673 3.886 1.00 85.03 N -4.705 24.745 4.850 1.00 85.03 C -3.826 25.466 5.881 1.00 85.03 C -3.996 25.235 7.070 1.00 85.03 O -3.908 23.663 4.100 1.00 85.03 C -3.295 22.608 5.040 1.00 85.03 C -4.361 21.786 5.769 1.00 85.03 C -2.409 21.655 4.242 1.00 85.03 C -2.913 26.342 5.451 1.00 82.18 N -2.046 27.105 6.368 1.00 82.18 C -2.853 27.997 7.314 1.00 82.18 C -2.578 28.018 8.507 1.00 82.18 O -1.036 27.941 5.569 1.00 82.18 C -0.130 28.823 6.425 1.00 82.18 C -0.178 27.077 4.856 1.00 82.18 O -3.890 28.680 6.820 1.00 81.52 N -4.788 29.480 7.664 1.00 81.52 C -5.576 28.619 8.660 1.00 81.52 C -5.799 29.020 9.801 1.00 81.52 O -5.779 30.237 6.771 1.00 81.52 C -5.134 31.411 6.023 1.00 81.52 C -6.095 32.060 5.031 1.00 81.52 C -5.817 33.265 4.586 1.00 81.52 N -7.101 31.509 4.619 1.00 81.52 O -6.015 27.432 8.243 1.00 79.59 N -6.732 26.513 9.116 1.00 79.59 C -5.801 25.928 10.196 1.00 79.59 C -6.179 25.832 11.364 1.00 79.59 O -7.392 25.451 8.230 1.00 79.59 C -4.555 25.610 9.834 1.00 77.92 N -3.524 25.151 10.763 1.00 77.92 C -3.146 26.231 11.782 1.00 77.92 C -3.094 25.918 12.972 1.00 77.92 O -2.287 24.687 9.978 1.00 77.92 C -2.459 23.344 9.248 1.00 77.92 C -1.262 23.119 8.325 1.00 77.92 C -2.530 22.166 10.220 1.00 77.92 C -2.969 27.488 11.358 1.00 74.94 N -2.632 28.593 12.267 1.00 74.94 C -3.721 28.855 13.311 1.00 74.94 C -3.407 29.221 14.438 1.00 74.94 O -2.310 29.873 11.483 1.00 74.94 C -3.435 30.390 10.795 1.00 74.94 O -4.997 28.618 12.977 1.00 70.39 N -6.113 28.704 13.938 1.00 70.39 C -6.141 27.546 14.945 1.00 70.39 C -6.669 27.713 16.035 1.00 70.39 O -7.450 28.774 13.185 1.00 70.39 C -7.665 30.107 12.451 1.00 70.39 C -9.033 30.095 11.754 1.00 70.39 C -9.284 31.399 10.989 1.00 70.39 C -10.671 31.446 10.454 1.00 70.39 N1+ -5.580 26.383 14.601 1.00 62.77 N -5.666 25.158 15.419 1.00 62.77 C -4.670 25.071 16.592 1.00 62.77 C -4.625 24.053 17.281 1.00 62.77 O -5.620 23.916 14.521 1.00 62.77 C -4.338 23.697 13.953 1.00 62.77 O -3.864 26.114 16.831 1.00 52.31 N -3.086 26.298 18.067 1.00 52.31 C -1.937 25.313 18.328 1.00 52.31 C -1.428 25.268 19.444 1.00 52.31 O -1.507 24.500 17.352 1.00 48.70 N -0.362 23.595 17.553 1.00 48.70 C 0.972 24.293 17.304 1.00 48.70 C 1.351 24.514 16.158 1.00 48.70 O -0.485 22.315 16.719 1.00 48.70 C -1.560 21.387 17.291 1.00 48.70 C -1.454 20.010 16.636 1.00 48.70 C -2.487 19.103 17.163 1.00 48.70 N -2.601 17.816 16.915 1.00 48.70 C -1.724 17.185 16.181 1.00 48.70 N1+ -3.597 17.139 17.411 1.00 48.70 N 1.722 24.506 18.378 1.00 34.29 N 3.174 24.667 18.337 1.00 34.29 C 3.831 23.278 18.269 1.00 34.29 C 3.587 22.404 19.100 1.00 34.29 O 3.669 25.451 19.560 1.00 34.29 C 3.144 26.896 19.581 1.00 34.29 C 3.740 27.732 20.724 1.00 34.29 C 3.579 28.969 20.657 1.00 34.29 O 4.390 27.137 21.614 1.00 34.29 O1- 4.642 23.034 17.246 1.00 37.51 N 5.433 21.815 17.090 1.00 37.51 C 6.868 22.191 16.651 1.00 37.51 C 7.127 23.363 16.371 1.00 37.51 O 4.660 20.856 16.169 1.00 37.51 C 7.848 21.265 16.684 1.00 33.25 N 9.266 21.622 16.650 1.00 33.25 C 9.702 22.319 15.355 1.00 33.25 C 9.348 21.906 14.251 1.00 33.25 O 10.045 20.322 16.878 1.00 33.25 C 9.030 19.404 17.554 1.00 33.25 C 7.700 19.848 16.958 1.00 33.25 C 10.540 23.351 15.519 1.00 35.01 N 11.109 24.200 14.463 1.00 35.01 C 11.819 23.372 13.384 1.00 35.01 C 12.926 22.880 13.593 1.00 35.01 O 12.104 25.199 15.097 1.00 35.01 C 11.440 26.256 15.998 1.00 35.01 C 12.479 27.152 16.695 1.00 35.01 C 11.769 28.202 17.565 1.00 35.01 C 12.715 29.027 18.365 1.00 35.01 N1+ 11.242 23.314 12.186 1.00 36.28 N 12.033 23.110 10.975 1.00 36.28 C 12.735 24.427 10.667 1.00 36.28 C 12.096 25.409 10.299 1.00 36.28 O 11.138 22.621 9.827 1.00 36.28 C 11.043 21.090 9.867 1.00 36.28 C 9.701 20.619 9.334 1.00 36.28 C 12.174 20.449 9.057 1.00 36.28 C 14.054 24.453 10.865 1.00 33.26 N 14.906 25.592 10.540 1.00 33.26 C 14.786 25.929 9.049 1.00 33.26 C 15.487 25.381 8.198 1.00 33.26 O 16.362 25.302 10.942 1.00 33.26 C 16.723 25.750 12.344 1.00 33.26 C 17.361 26.993 12.534 1.00 33.26 C 16.446 24.927 13.453 1.00 33.26 C 17.737 27.410 13.825 1.00 33.26 C 16.817 25.344 14.747 1.00 33.26 C 17.469 26.580 14.935 1.00 33.26 C 17.829 26.967 16.186 1.00 33.26 O 13.915 26.888 8.748 1.00 36.00 N 13.676 27.435 7.413 1.00 36.00 C 14.970 27.981 6.771 1.00 36.00 C 15.088 28.000 5.551 1.00 36.00 O 12.601 28.526 7.578 1.00 36.00 C 11.644 28.671 6.387 1.00 36.00 C 10.518 29.661 6.693 1.00 36.00 C 9.421 29.628 5.968 1.00 36.00 N 10.600 30.487 7.583 1.00 36.00 O 15.962 28.369 7.592 1.00 34.33 N 17.244 28.947 7.153 1.00 34.33 C 18.352 27.939 6.826 1.00 34.33 C 19.274 28.308 6.112 1.00 34.33 O 17.738 29.983 8.180 1.00 34.33 C 16.933 31.291 8.103 1.00 34.33 C 17.535 32.376 9.009 1.00 34.33 C 16.795 33.708 8.812 1.00 34.33 C 17.378 34.802 9.635 1.00 34.33 N1+ 18.284 26.695 7.305 1.00 42.40 N 19.341 25.699 7.019 1.00 42.40 C 19.005 24.885 5.775 1.00 42.40 C 19.898 24.432 5.072 1.00 42.40 O 19.599 24.791 8.238 1.00 42.40 C 20.696 23.747 7.987 1.00 42.40 C 20.042 25.633 9.444 1.00 42.40 C 17.710 24.712 5.499 1.00 44.53 N 17.261 23.646 4.619 1.00 44.53 C 17.657 23.906 3.159 1.00 44.53 C 18.437 23.107 2.672 1.00 44.53 O 15.810 23.256 4.983 1.00 44.53 C 15.866 22.428 6.289 1.00 44.53 C 15.104 22.455 3.902 1.00 44.53 C 14.508 21.980 6.836 1.00 44.53 C 17.273 24.988 2.465 1.00 50.90 N 17.703 25.156 1.059 1.00 50.90 C 17.560 26.594 0.502 1.00 50.90 C 16.589 26.858 -0.207 1.00 50.90 O 16.892 24.191 0.155 1.00 50.90 C 16.979 22.697 0.414 1.00 50.90 C 18.167 21.996 0.142 1.00 50.90 C 15.883 22.000 0.951 1.00 50.90 C 18.297 20.654 0.541 1.00 50.90 C 16.008 20.655 1.340 1.00 50.90 C 17.230 19.990 1.165 1.00 50.90 C 18.514 27.531 0.691 1.00 44.20 N 18.461 28.824 -0.012 1.00 44.20 C 18.446 28.674 -1.549 1.00 44.20 C 17.874 29.503 -2.248 1.00 44.20 O 19.665 29.625 0.501 1.00 44.20 C 20.615 28.574 1.076 1.00 44.20 C 19.695 27.444 1.537 1.00 44.20 C 19.004 27.582 -2.090 1.00 41.77 N 19.051 27.319 -3.534 1.00 41.77 C 17.771 26.754 -4.168 1.00 41.77 C 17.687 26.741 -5.393 1.00 41.77 O 16.787 26.297 -3.379 1.00 37.44 N 15.530 25.728 -3.907 1.00 37.44 C 14.545 26.802 -4.376 1.00 37.44 C 13.640 26.506 -5.145 1.00 37.44 O 14.874 24.827 -2.841 1.00 37.44 C 14.716 23.357 -3.274 1.00 37.44 C 14.867 22.422 -2.081 1.00 37.44 C 13.336 23.106 -3.876 1.00 37.44 C 14.732 28.044 -3.931 1.00 41.29 N 13.839 29.166 -4.216 1.00 41.29 C 14.253 29.944 -5.472 1.00 41.29 C 14.035 31.150 -5.553 1.00 41.29 O 13.736 30.056 -2.969 1.00 41.29 C 13.376 29.303 -1.702 1.00 41.29 C 12.113 28.703 -1.577 1.00 41.29 C 14.313 29.167 -0.664 1.00 41.29 C 11.784 27.958 -0.431 1.00 41.29 C 13.980 28.442 0.494 1.00 41.29 C 12.718 27.835 0.610 1.00 41.29 C 14.889 29.280 -6.447 1.00 37.09 N 15.174 29.905 -7.742 1.00 37.09 C 13.942 29.825 -8.630 1.00 37.09 C 13.454 28.747 -8.960 1.00 37.09 O 16.421 29.323 -8.413 1.00 37.09 C 17.690 29.815 -7.705 1.00 37.09 C 18.929 29.417 -8.509 1.00 37.09 C 20.169 29.793 -7.804 1.00 37.09 N 21.400 29.640 -8.256 1.00 37.09 C 21.642 29.154 -9.442 1.00 37.09 N1+ 22.420 29.979 -7.520 1.00 37.09 N 13.458 31.000 -8.995 1.00 32.93 N 12.341 31.203 -9.903 1.00 32.93 C 12.677 30.678 -11.311 1.00 32.93 C 13.796 30.835 -11.797 1.00 32.93 O 12.001 32.706 -9.934 1.00 32.93 C 11.579 33.239 -8.549 1.00 32.93 C 11.250 34.739 -8.534 1.00 32.93 C 10.568 35.151 -7.568 1.00 32.93 O 11.674 35.446 -9.474 1.00 32.93 O1- 11.689 30.085 -11.990 1.00 36.05 N 11.659 30.120 -13.456 1.00 36.05 C 12.049 28.870 -14.252 1.00 36.05 C 12.576 29.032 -15.348 1.00 36.05 O 11.754 27.639 -13.808 1.00 33.09 N 11.856 26.471 -14.712 1.00 33.09 C 10.473 26.105 -15.290 1.00 33.09 C 9.558 25.792 -14.524 1.00 33.09 O 12.601 25.271 -14.096 1.00 33.09 C 13.994 25.721 -13.594 1.00 33.09 C 12.753 24.166 -15.165 1.00 33.09 C 14.801 24.620 -12.896 1.00 33.09 C 10.299 26.120 -16.628 1.00 33.01 N 9.072 25.697 -17.296 1.00 33.01 C 8.770 24.202 -17.139 1.00 33.01 C 9.657 23.358 -17.036 1.00 33.01 O 9.236 26.056 -18.779 1.00 33.01 C 10.362 27.082 -18.793 1.00 33.01 C 11.221 26.674 -17.607 1.00 33.01 C 7.476 23.890 -17.198 1.00 31.54 N 6.882 22.559 -17.059 1.00 31.54 C 7.427 21.597 -18.127 1.00 31.54 C 7.201 21.783 -19.325 1.00 31.54 O 5.341 22.696 -17.170 1.00 31.54 C 4.767 23.636 -16.078 1.00 31.54 C 4.639 21.326 -17.097 1.00 31.54 C 3.365 24.169 -16.401 1.00 31.54 C 8.052 20.499 -17.700 1.00 31.78 N 8.231 19.339 -18.560 1.00 31.78 C 6.865 18.662 -18.755 1.00 31.78 C 6.280 18.116 -17.821 1.00 31.78 O 9.284 18.398 -17.963 1.00 31.78 C 6.339 18.711 -19.980 1.00 29.87 N 5.103 18.030 -20.355 1.00 29.87 C 5.244 16.518 -20.101 1.00 29.87 C 5.878 15.796 -20.879 1.00 29.87 O 4.778 18.355 -21.835 1.00 29.87 C 3.540 19.217 -22.005 1.00 29.87 C 3.487 20.030 -23.034 1.00 29.87 N 2.588 19.133 -21.254 1.00 29.87 O 4.649 16.021 -19.014 1.00 28.55 N 4.635 14.592 -18.686 1.00 28.55 C 3.728 13.878 -19.687 1.00 28.55 C 2.520 13.734 -19.492 1.00 28.55 O 4.227 14.329 -17.220 1.00 28.55 C 4.265 12.827 -16.888 1.00 28.55 C 5.176 15.034 -16.244 1.00 28.55 C 4.317 13.403 -20.788 1.00 26.74 N 3.651 12.469 -21.699 1.00 26.74 C 3.341 11.187 -20.927 1.00 26.74 C 4.237 10.407 -20.601 1.00 26.74 O 4.503 12.203 -22.954 1.00 26.74 C 4.467 13.388 -23.935 1.00 26.74 C 5.201 13.069 -25.247 1.00 26.74 C 5.073 14.256 -26.215 1.00 26.74 C 5.751 14.013 -27.516 1.00 26.74 N1+ 2.056 10.968 -20.628 1.00 26.53 N 1.549 9.683 -20.133 1.00 26.53 C 1.967 8.591 -21.118 1.00 26.53 C 1.676 8.673 -22.304 1.00 26.53 O 0.020 9.719 -19.954 1.00 26.53 C -0.377 10.360 -18.615 1.00 26.53 C -1.902 10.431 -18.441 1.00 26.53 C -2.227 10.993 -17.049 1.00 26.53 C -3.674 11.284 -16.870 1.00 26.53 N1+ 2.680 7.594 -20.605 1.00 25.77 N 3.128 6.425 -21.362 1.00 25.77 C 1.905 5.651 -21.844 1.00 25.77 C 1.083 5.234 -21.029 1.00 25.77 O 4.038 5.543 -20.482 1.00 25.77 C 4.485 4.254 -21.184 1.00 25.77 C 5.303 6.311 -20.066 1.00 25.77 C 1.813 5.435 -23.155 1.00 25.82 N 0.820 4.552 -23.757 1.00 25.82 C 1.040 3.115 -23.267 1.00 25.82 C 2.017 2.437 -23.610 1.00 25.82 O 0.884 4.635 -25.289 1.00 25.82 C 0.357 5.969 -25.825 1.00 25.82 C -0.738 6.384 -25.374 1.00 25.82 O 1.065 6.545 -26.678 1.00 25.82 O1- 0.127 2.636 -22.426 1.00 25.95 N 0.056 1.226 -22.073 1.00 25.95 C -0.474 0.446 -23.276 1.00 25.95 C -1.654 0.505 -23.616 1.00 25.95 O -0.813 0.996 -20.831 1.00 25.95 C -0.102 1.430 -19.541 1.00 25.95 C -0.900 1.059 -18.282 1.00 25.95 C -0.275 1.036 -17.198 1.00 25.95 O -2.123 0.788 -18.397 1.00 25.95 O1- 0.423 -0.301 -23.926 1.00 26.44 N 0.048 -1.267 -24.958 1.00 26.44 C -0.897 -2.313 -24.374 1.00 26.44 C -0.583 -2.947 -23.365 1.00 26.44 O 1.284 -1.929 -25.583 1.00 26.44 C 2.045 -0.939 -26.473 1.00 26.44 C 3.179 -1.622 -27.247 1.00 26.44 C 3.798 -0.580 -28.186 1.00 26.44 C 4.775 -1.170 -29.132 1.00 26.44 N1+ -2.017 -2.494 -25.065 1.00 24.06 N -3.001 -3.553 -24.858 1.00 24.06 C -2.261 -4.895 -24.920 1.00 24.06 C -1.535 -5.181 -25.872 1.00 24.06 O -4.117 -3.414 -25.925 1.00 24.06 C -4.834 -2.044 -25.773 1.00 24.06 C -5.130 -4.567 -25.826 1.00 24.06 C -5.740 -1.674 -26.953 1.00 24.06 C -2.357 -5.671 -23.842 1.00 23.97 N -1.840 -7.036 -23.787 1.00 23.97 C -2.988 -7.927 -24.235 1.00 23.97 C -3.924 -8.137 -23.466 1.00 23.97 O -1.325 -7.396 -22.371 1.00 23.97 C -0.135 -6.487 -21.981 1.00 23.97 C -0.912 -8.882 -22.301 1.00 23.97 C 0.333 -6.650 -20.528 1.00 23.97 C -2.899 -8.439 -25.458 1.00 25.55 N -3.854 -9.417 -25.964 1.00 25.55 C -3.816 -10.686 -25.108 1.00 25.55 C -2.762 -11.284 -24.843 1.00 25.55 O -3.597 -9.727 -27.445 1.00 25.55 C -3.857 -8.510 -28.334 1.00 25.55 C -4.836 -7.787 -28.050 1.00 25.55 O -3.016 -8.287 -29.233 1.00 25.55 O1- -4.998 -11.072 -24.638 1.00 22.96 N -5.248 -12.321 -23.934 1.00 22.96 C -4.927 -13.501 -24.860 1.00 22.96 C -5.364 -13.500 -26.009 1.00 22.96 O -6.724 -12.399 -23.536 1.00 22.96 C -7.115 -11.227 -22.853 1.00 22.96 O -4.188 -14.525 -24.398 1.00 27.33 N -3.875 -15.681 -25.225 1.00 27.33 C -5.145 -16.464 -25.571 1.00 27.33 C -5.950 -16.790 -24.696 1.00 27.33 O -2.864 -16.504 -24.422 1.00 27.33 C -3.166 -16.120 -22.973 1.00 27.33 C -3.638 -14.671 -23.067 1.00 27.33 C -5.278 -16.780 -26.856 1.00 25.84 N -6.283 -17.666 -27.438 1.00 25.84 C -6.219 -19.052 -26.799 1.00 25.84 C -5.150 -19.643 -26.627 1.00 25.84 O -6.087 -17.756 -28.965 1.00 25.84 C -6.891 -16.676 -29.685 1.00 25.84 C -4.735 -17.543 -29.329 1.00 25.84 O -7.386 -19.557 -26.395 1.00 26.77 N -7.535 -20.849 -25.734 1.00 26.77 C -7.216 -21.989 -26.698 1.00 26.77 C -7.923 -22.181 -27.685 1.00 26.77 O -8.963 -21.003 -25.196 1.00 26.77 C -9.916 -20.932 -26.238 1.00 26.77 O -6.188 -22.775 -26.393 1.00 30.23 N -5.912 -24.036 -27.080 1.00 30.23 C -6.905 -25.121 -26.660 1.00 30.23 C -7.347 -25.196 -25.511 1.00 30.23 O -4.462 -24.494 -26.861 1.00 30.23 C -3.529 -23.850 -27.885 1.00 30.23 C -3.978 -24.121 -25.586 1.00 30.23 O -7.267 -25.957 -27.631 1.00 31.36 N -8.189 -27.085 -27.533 1.00 31.36 C -7.650 -28.161 -26.590 1.00 31.36 C -6.644 -28.804 -26.876 1.00 31.36 O -8.374 -27.670 -28.941 1.00 31.36 C -7.108 -27.891 -29.533 1.00 31.36 O -8.334 -28.370 -25.466 1.00 35.97 N -8.035 -29.441 -24.506 1.00 35.97 C -9.281 -30.317 -24.318 1.00 35.97 C -10.410 -29.831 -24.427 1.00 35.97 O -7.477 -28.863 -23.186 1.00 35.97 C -7.064 -29.966 -22.212 1.00 35.97 C -6.226 -28.001 -23.411 1.00 35.97 C -9.043 -31.609 -24.078 1.00 39.61 N -10.001 -32.714 -23.970 1.00 39.61 C -11.127 -32.487 -22.925 1.00 39.61 C -10.978 -31.681 -22.004 1.00 39.61 O -9.157 -33.984 -23.690 1.00 39.61 C -9.823 -35.268 -24.146 1.00 39.61 C -9.192 -36.402 -23.959 1.00 39.61 N -10.922 -35.245 -24.666 1.00 39.61 O -12.258 -33.189 -23.055 1.00 39.93 N -13.528 -32.905 -22.357 1.00 39.93 C -13.482 -32.923 -20.820 1.00 39.93 C -13.994 -32.002 -20.177 1.00 39.93 O -12.818 -33.908 -20.211 1.00 44.89 N -12.651 -33.966 -18.748 1.00 44.89 C -11.729 -32.864 -18.234 1.00 44.89 C -12.045 -32.162 -17.272 1.00 44.89 O -12.060 -35.309 -18.331 1.00 44.89 C -13.084 -36.438 -18.440 1.00 44.89 C -12.536 -37.716 -17.802 1.00 44.89 C -13.359 -38.432 -17.202 1.00 44.89 O -11.300 -37.903 -17.883 1.00 44.89 O1- -10.625 -32.628 -18.941 1.00 48.34 N -9.723 -31.533 -18.639 1.00 48.34 C -10.418 -30.172 -18.812 1.00 48.34 C -10.165 -29.280 -18.014 1.00 48.34 O -8.469 -31.697 -19.494 1.00 48.34 C -11.364 -30.000 -19.749 1.00 46.86 N -12.215 -28.796 -19.828 1.00 46.86 C -13.108 -28.632 -18.605 1.00 46.86 C -13.220 -27.507 -18.122 1.00 46.86 O -13.095 -28.811 -21.086 1.00 46.86 C -12.417 -28.151 -22.289 1.00 46.86 C -13.330 -28.279 -23.518 1.00 46.86 C -12.705 -27.629 -24.758 1.00 46.86 C -13.527 -27.867 -25.975 1.00 46.86 N1+ -13.737 -29.701 -18.098 1.00 50.54 N -14.522 -29.628 -16.853 1.00 50.54 C -13.619 -29.226 -15.691 1.00 50.54 C -13.938 -28.256 -15.013 1.00 50.54 O -15.258 -30.946 -16.548 1.00 50.54 C -16.538 -31.139 -17.381 1.00 50.54 C -17.279 -32.415 -16.937 1.00 50.54 C -18.566 -32.656 -17.744 1.00 50.54 C -19.243 -33.923 -17.347 1.00 50.54 N1+ -12.474 -29.880 -15.518 1.00 54.02 N -11.538 -29.584 -14.425 1.00 54.02 C -10.930 -28.183 -14.564 1.00 54.02 C -10.805 -27.467 -13.578 1.00 54.02 O -10.444 -30.668 -14.346 1.00 54.02 C -11.042 -32.063 -14.053 1.00 54.02 C -9.450 -30.299 -13.234 1.00 54.02 C -10.062 -33.215 -14.319 1.00 54.02 C -10.597 -27.743 -15.778 1.00 54.81 N -10.095 -26.387 -16.040 1.00 54.81 C -11.197 -25.355 -15.807 1.00 54.81 C -10.922 -24.343 -15.177 1.00 54.81 O -9.482 -26.272 -17.452 1.00 54.81 C -9.166 -24.824 -17.853 1.00 54.81 C -8.151 -27.037 -17.532 1.00 54.81 C -12.445 -25.591 -16.235 1.00 54.55 N -13.570 -24.677 -15.958 1.00 54.55 C -13.832 -24.543 -14.460 1.00 54.55 C -13.851 -23.412 -13.979 1.00 54.55 O -14.860 -25.111 -16.675 1.00 54.55 C -14.952 -24.592 -18.117 1.00 54.55 C -16.316 -24.974 -18.709 1.00 54.55 C -16.501 -24.454 -20.080 1.00 54.55 N -17.567 -24.640 -20.846 1.00 54.55 C -18.602 -25.325 -20.445 1.00 54.55 N1+ -17.619 -24.131 -22.045 1.00 54.55 N -13.969 -25.661 -13.744 1.00 54.80 N -14.137 -25.655 -12.287 1.00 54.80 C -12.909 -25.033 -11.621 1.00 54.80 C -13.042 -24.144 -10.801 1.00 54.80 O -14.400 -27.070 -11.754 1.00 54.80 C -15.763 -27.600 -12.121 1.00 54.80 C -16.903 -27.548 -11.362 1.00 54.80 C -16.094 -28.224 -13.299 1.00 54.80 N -17.392 -28.556 -13.256 1.00 54.80 C -17.928 -28.159 -12.100 1.00 54.80 N -11.690 -25.353 -12.056 1.00 56.62 N -10.469 -24.758 -11.509 1.00 56.62 C -10.319 -23.254 -11.757 1.00 56.62 C -9.749 -22.550 -10.922 1.00 56.62 O -10.849 -22.737 -12.870 1.00 62.55 N -10.900 -21.297 -13.174 1.00 62.55 C -11.972 -20.597 -12.333 1.00 62.55 C -11.749 -19.469 -11.890 1.00 62.55 O -11.115 -21.069 -14.688 1.00 62.55 C -11.413 -19.605 -15.046 1.00 62.55 C -9.858 -21.448 -15.487 1.00 62.55 C -13.111 -21.256 -12.079 1.00 71.58 N -14.237 -20.716 -11.296 1.00 71.58 C -14.199 -21.077 -9.806 1.00 71.58 C -14.964 -20.494 -9.050 1.00 71.58 O -15.574 -21.114 -11.951 1.00 71.58 C -15.770 -20.389 -13.294 1.00 71.58 C -17.153 -20.643 -13.918 1.00 71.58 C -17.324 -19.715 -15.135 1.00 71.58 C -18.718 -19.625 -15.641 1.00 71.58 N1+ -13.257 -21.905 -9.366 1.00 73.10 N -13.157 -22.476 -8.018 1.00 73.10 C -13.256 -21.437 -6.898 1.00 73.10 C -13.966 -21.612 -5.912 1.00 73.10 O -11.803 -23.200 -7.922 1.00 73.10 C -11.456 -23.671 -6.526 1.00 73.10 C -10.383 -23.093 -5.814 1.00 73.10 C -12.251 -24.663 -5.926 1.00 73.10 C -10.125 -23.495 -4.487 1.00 73.10 C -12.013 -25.043 -4.597 1.00 73.10 C -10.983 -24.434 -3.862 1.00 73.10 C -10.908 -24.693 -2.532 1.00 73.10 O -12.554 -20.310 -7.043 1.00 74.45 N -12.608 -19.240 -6.042 1.00 74.45 C -13.975 -18.540 -6.009 1.00 74.45 C -14.380 -18.050 -4.959 1.00 74.45 O -11.492 -18.215 -6.293 1.00 74.45 C -10.079 -18.798 -6.097 1.00 74.45 C -8.982 -17.722 -6.172 1.00 74.45 C -7.891 -18.010 -6.733 1.00 74.45 O -9.218 -16.629 -5.609 1.00 74.45 O1- -14.696 -18.492 -7.137 1.00 80.82 N -16.070 -17.973 -7.203 1.00 80.82 C -17.074 -18.987 -6.659 1.00 80.82 C -18.034 -18.573 -6.024 1.00 80.82 O -16.455 -17.582 -8.640 1.00 80.82 C -15.549 -16.516 -9.275 1.00 80.82 C -16.112 -16.164 -10.657 1.00 80.82 C -15.330 -15.129 -11.367 1.00 80.82 N -15.624 -14.685 -12.582 1.00 80.82 C -16.673 -15.121 -13.211 1.00 80.82 N1+ -14.882 -13.805 -13.191 1.00 80.82 N -16.843 -20.279 -6.880 1.00 81.31 N -17.674 -21.375 -6.366 1.00 81.31 C -17.626 -21.443 -4.839 1.00 81.31 C -18.680 -21.376 -4.218 1.00 81.31 O -17.262 -22.704 -7.017 1.00 81.31 C -17.724 -22.752 -8.484 1.00 81.31 C -17.148 -23.914 -9.305 1.00 81.31 C -17.467 -23.939 -10.517 1.00 81.31 O -16.312 -24.679 -8.780 1.00 81.31 O1- -16.437 -21.405 -4.228 1.00 80.49 N -16.307 -21.315 -2.765 1.00 80.49 C -16.998 -20.084 -2.180 1.00 80.49 C -17.599 -20.146 -1.114 1.00 80.49 O -14.837 -21.176 -2.385 1.00 80.49 C -14.073 -22.494 -2.342 1.00 80.49 C -12.618 -22.128 -2.163 1.00 80.49 C -11.982 -21.780 -3.250 1.00 80.49 N -12.049 -21.973 -1.094 1.00 80.49 O -16.888 -18.930 -2.847 1.00 84.11 N -17.562 -17.715 -2.375 1.00 84.11 C -19.077 -17.863 -2.507 1.00 84.11 C -19.798 -17.474 -1.596 1.00 84.11 O -17.038 -16.469 -3.102 1.00 84.11 C -17.881 -15.230 -2.794 1.00 84.11 C -15.601 -16.146 -2.663 1.00 84.11 C -19.571 -18.450 -3.602 1.00 85.36 N -20.996 -18.745 -3.778 1.00 85.36 C -21.506 -19.687 -2.685 1.00 85.36 C -22.559 -19.415 -2.120 1.00 85.36 O -21.232 -19.306 -5.191 1.00 85.36 C -22.663 -19.834 -5.352 1.00 85.36 C -22.952 -20.316 -6.775 1.00 85.36 C -24.378 -20.877 -6.805 1.00 85.36 C -24.619 -21.754 -7.979 1.00 85.36 N1+ -20.769 -20.751 -2.388 1.00 84.79 N -21.086 -21.713 -1.330 1.00 84.79 C -21.111 -21.036 0.044 1.00 84.79 C -22.136 -21.071 0.722 1.00 84.79 O -20.054 -22.838 -1.391 1.00 84.79 C -20.323 -23.941 -0.363 1.00 84.79 C -19.296 -25.075 -0.466 1.00 84.79 C -19.553 -26.117 0.164 1.00 84.79 O -18.271 -24.884 -1.170 1.00 84.79 O1- -20.057 -20.294 0.393 1.00 86.27 N -19.999 -19.495 1.618 1.00 86.27 C -21.224 -18.581 1.756 1.00 86.27 C -21.882 -18.551 2.792 1.00 86.27 O -18.712 -18.659 1.590 1.00 86.27 C -18.470 -17.843 2.842 1.00 86.27 C -19.065 -16.576 3.020 1.00 86.27 C -17.649 -18.379 3.843 1.00 86.27 C -18.844 -15.848 4.210 1.00 86.27 C -17.419 -17.651 5.018 1.00 86.27 C -18.010 -16.394 5.209 1.00 86.27 C -17.687 -15.718 6.332 1.00 86.27 O -21.577 -17.854 0.691 1.00 84.78 N -22.719 -16.937 0.685 1.00 84.78 C -24.085 -17.632 0.633 1.00 84.78 C -25.083 -16.996 0.973 1.00 84.78 O -22.588 -15.970 -0.500 1.00 84.78 C -21.419 -14.977 -0.425 1.00 84.78 C -21.477 -14.111 -1.685 1.00 84.78 C -21.496 -14.092 0.817 1.00 84.78 C -24.159 -18.897 0.208 1.00 85.86 N -25.412 -19.665 0.190 1.00 85.86 C -25.952 -19.901 1.601 1.00 85.86 C -27.164 -19.883 1.799 1.00 85.86 O -25.242 -20.987 -0.568 1.00 85.86 C -24.527 -21.956 0.166 1.00 85.86 O -25.056 -19.974 2.591 1.00 82.47 N -25.407 -20.058 4.012 1.00 82.47 C -25.964 -18.752 4.607 1.00 82.47 C -26.452 -18.755 5.732 1.00 82.47 O -24.202 -20.568 4.809 1.00 82.47 C -23.168 -19.609 4.889 1.00 82.47 O -25.948 -17.641 3.853 1.00 80.54 N -26.488 -16.334 4.256 1.00 80.54 C -27.657 -15.927 3.339 1.00 80.54 C -27.518 -14.986 2.547 1.00 80.54 O -25.361 -15.281 4.246 1.00 80.54 C -24.231 -15.544 5.249 1.00 80.54 C -23.040 -14.621 4.973 1.00 80.54 C -24.690 -15.327 6.691 1.00 80.54 C -28.812 -16.620 3.375 1.00 69.62 N -29.876 -16.485 2.374 1.00 69.62 C -30.467 -15.071 2.290 1.00 69.62 C -30.756 -14.610 1.187 1.00 69.62 O -30.934 -17.529 2.752 1.00 69.62 C -30.695 -17.774 4.240 1.00 69.62 C -29.182 -17.622 4.363 1.00 69.62 C -30.516 -14.334 3.400 1.00 73.79 N -31.095 -12.981 3.487 1.00 73.79 C -30.291 -11.898 2.753 1.00 73.79 C -30.819 -10.828 2.463 1.00 73.79 O -31.257 -12.583 4.963 1.00 73.79 C -32.245 -13.491 5.697 1.00 73.79 C -30.014 -12.707 5.621 1.00 73.79 O -29.021 -12.149 2.408 1.00 74.01 N -28.142 -11.130 1.819 1.00 74.01 C -28.273 -11.011 0.291 1.00 74.01 C -28.019 -11.964 -0.445 1.00 74.01 O -26.688 -11.418 2.227 1.00 74.01 C -26.412 -11.319 3.738 1.00 74.01 C -24.928 -11.591 3.974 1.00 74.01 C -26.758 -9.931 4.281 1.00 74.01 C -28.550 -9.821 -0.233 1.00 74.39 N -28.563 -9.544 -1.681 1.00 74.39 C -27.158 -9.211 -2.199 1.00 74.39 C -26.784 -8.057 -2.394 1.00 74.39 O -29.589 -8.449 -2.015 1.00 74.39 C -31.015 -8.991 -1.937 1.00 74.39 C -29.498 -7.391 -1.090 1.00 74.39 O -26.332 -10.238 -2.427 1.00 78.65 N -24.961 -10.080 -2.932 1.00 78.65 C -24.792 -10.694 -4.323 1.00 78.65 C -25.087 -11.866 -4.535 1.00 78.65 O -23.962 -10.668 -1.923 1.00 78.65 C -23.920 -9.898 -0.588 1.00 78.65 C -23.085 -10.686 0.405 1.00 78.65 C -23.295 -8.507 -0.734 1.00 78.65 C -24.231 -9.922 -5.260 1.00 75.14 N -24.027 -10.347 -6.657 1.00 75.14 C -23.239 -11.663 -6.785 1.00 75.14 C -23.599 -12.497 -7.610 1.00 75.14 O -23.356 -9.204 -7.432 1.00 75.14 C -22.808 -9.610 -8.667 1.00 75.14 O -22.237 -11.915 -5.921 1.00 81.70 N -21.431 -13.156 -5.945 1.00 81.70 C -22.175 -14.422 -5.483 1.00 81.70 C -21.606 -15.503 -5.598 1.00 81.70 O -20.082 -12.988 -5.204 1.00 81.70 C -19.128 -12.000 -5.900 1.00 81.70 C -17.640 -12.223 -5.560 1.00 81.70 C -17.291 -11.913 -4.162 1.00 81.70 N -16.091 -11.876 -3.602 1.00 81.70 C -14.983 -12.042 -4.258 1.00 81.70 N1+ -15.938 -11.664 -2.342 1.00 81.70 N -23.440 -14.334 -5.040 1.00 77.56 N -24.307 -15.518 -4.844 1.00 77.56 C -24.596 -16.257 -6.151 1.00 77.56 C -24.891 -17.450 -6.145 1.00 77.56 O -25.647 -15.112 -4.219 1.00 77.56 C -25.530 -14.849 -2.716 1.00 77.56 C -26.923 -14.603 -2.132 1.00 77.56 C -26.882 -14.733 -0.612 1.00 77.56 C -28.237 -14.602 -0.043 1.00 77.56 N1+ -24.520 -15.559 -7.280 1.00 77.44 N -24.667 -16.149 -8.602 1.00 77.44 C -23.368 -15.944 -9.379 1.00 77.44 C -22.835 -14.838 -9.445 1.00 77.44 O -25.889 -15.550 -9.308 1.00 77.44 C -27.203 -15.891 -8.575 1.00 77.44 C -28.433 -15.336 -9.284 1.00 77.44 C -29.623 -15.602 -8.795 1.00 77.44 N -28.340 -14.648 -10.288 1.00 77.44 O -22.841 -17.012 -9.980 1.00 71.76 N -21.666 -16.909 -10.851 1.00 71.76 C -22.154 -16.414 -12.211 1.00 71.76 C -22.486 -17.212 -13.084 1.00 71.76 O -20.873 -18.233 -10.935 1.00 71.76 C -20.429 -18.693 -9.529 1.00 71.76 C -19.637 -18.039 -11.838 1.00 71.76 C -19.782 -20.081 -9.507 1.00 71.76 C -22.224 -15.093 -12.366 1.00 71.40 N -22.493 -14.434 -13.645 1.00 71.40 C -21.168 -14.023 -14.283 1.00 71.40 C -20.271 -13.527 -13.603 1.00 71.40 O -23.454 -13.250 -13.449 1.00 71.40 C -24.801 -13.665 -12.828 1.00 71.40 C -25.733 -12.454 -12.740 1.00 71.40 C -27.031 -12.781 -12.107 1.00 71.40 N -28.098 -12.005 -12.109 1.00 71.40 C -28.088 -10.824 -12.658 1.00 71.40 N1+ -29.202 -12.406 -11.552 1.00 71.40 N -21.037 -14.269 -15.581 1.00 68.82 N -19.944 -13.748 -16.411 1.00 68.82 C -20.444 -12.499 -17.172 1.00 68.82 C -20.248 -12.367 -18.372 1.00 68.82 O -19.350 -14.871 -17.296 1.00 68.82 C -18.558 -15.931 -16.507 1.00 68.82 C -17.774 -15.551 -15.603 1.00 68.82 O -18.697 -17.152 -16.775 1.00 68.82 O1- -21.135 -11.594 -16.467 1.00 68.45 N -21.839 -10.409 -16.990 1.00 68.45 C -21.004 -9.116 -16.912 1.00 68.45 C -21.538 -8.003 -16.936 1.00 68.45 O -23.208 -10.268 -16.288 1.00 68.45 C -23.143 -10.041 -14.766 1.00 68.45 C -22.051 -10.217 -14.174 1.00 68.45 O -24.218 -9.810 -14.162 1.00 68.45 O1- -19.676 -9.238 -16.807 1.00 72.41 N -18.795 -8.074 -16.842 1.00 72.41 C -18.813 -7.446 -18.239 1.00 72.41 C -18.194 -7.954 -19.171 1.00 72.41 O -17.371 -8.427 -16.395 1.00 72.41 C -16.451 -7.215 -16.344 1.00 72.41 C -15.579 -6.936 -17.416 1.00 72.41 C -16.500 -6.344 -15.238 1.00 72.41 C -14.739 -5.806 -17.371 1.00 72.41 C -15.664 -5.210 -15.189 1.00 72.41 C -14.777 -4.944 -16.257 1.00 72.41 C -13.948 -3.868 -16.197 1.00 72.41 O -19.505 -6.316 -18.361 1.00 77.35 N -19.579 -5.524 -19.587 1.00 77.35 C -18.239 -4.811 -19.852 1.00 77.35 C -17.993 -3.674 -19.425 1.00 77.35 O -20.786 -4.583 -19.484 1.00 77.35 C -21.095 -3.820 -20.775 1.00 77.35 C -20.252 -3.811 -21.701 1.00 77.35 O -22.131 -3.119 -20.775 1.00 77.35 O1- -17.341 -5.532 -20.526 1.00 76.98 N -16.012 -5.054 -20.908 1.00 76.98 C -16.098 -3.823 -21.822 1.00 76.98 C -15.311 -2.885 -21.676 1.00 76.98 O -15.238 -6.201 -21.584 1.00 76.98 C -13.742 -5.873 -21.696 1.00 76.98 C -12.934 -6.917 -22.480 1.00 76.98 C -11.959 -6.485 -23.144 1.00 76.98 O -13.260 -8.118 -22.408 1.00 76.98 O1- -17.095 -3.774 -22.706 1.00 78.19 N -17.301 -2.658 -23.629 1.00 78.19 C -17.770 -1.400 -22.899 1.00 78.19 C -17.237 -0.314 -23.131 1.00 78.19 O -18.279 -3.069 -24.743 1.00 78.19 C -17.654 -4.084 -25.719 1.00 78.19 C -16.315 -3.572 -26.282 1.00 78.19 C -15.277 -4.271 -26.133 1.00 78.19 O -16.290 -2.399 -26.716 1.00 78.19 O1- -18.683 -1.508 -21.929 1.00 76.83 N -19.015 -0.385 -21.037 1.00 76.83 C -17.813 0.062 -20.218 1.00 76.83 C -17.647 1.268 -20.036 1.00 76.83 O -20.192 -0.772 -20.145 1.00 76.83 C -20.621 0.326 -19.168 1.00 76.83 C -21.816 -0.163 -18.350 1.00 76.83 C -22.273 0.882 -17.414 1.00 76.83 N -23.251 0.760 -16.538 1.00 76.83 C -23.863 -0.377 -16.351 1.00 76.83 N1+ -23.642 1.790 -15.840 1.00 76.83 N -16.971 -0.853 -19.741 1.00 74.05 N -15.753 -0.488 -19.017 1.00 74.05 C -14.768 0.288 -19.911 1.00 74.05 C -14.251 1.329 -19.493 1.00 74.05 O -15.120 -1.752 -18.426 1.00 74.05 C -14.558 -0.164 -21.155 1.00 78.71 N -13.746 0.537 -22.164 1.00 78.71 C -14.346 1.892 -22.527 1.00 78.71 C -13.624 2.884 -22.498 1.00 78.71 O -13.607 -0.322 -23.429 1.00 78.71 C -12.663 -1.522 -23.265 1.00 78.71 C -12.766 -2.396 -24.522 1.00 78.71 C -12.015 -3.717 -24.359 1.00 78.71 C -12.541 -4.747 -25.287 1.00 78.71 N1+ -15.656 1.971 -22.795 1.00 76.26 N -16.365 3.231 -23.082 1.00 76.26 C -16.254 4.218 -21.929 1.00 76.26 C -15.923 5.367 -22.174 1.00 76.26 O -17.845 2.979 -23.413 1.00 76.26 C -18.049 2.421 -24.830 1.00 76.26 C -19.535 2.352 -25.210 1.00 76.26 C -20.288 1.380 -24.385 1.00 76.26 N -21.029 0.369 -24.813 1.00 76.26 C -21.208 0.120 -26.079 1.00 76.26 N1+ -21.610 -0.438 -23.968 1.00 76.26 N -16.449 3.780 -20.685 1.00 73.80 N -16.294 4.634 -19.501 1.00 73.80 C -14.856 5.151 -19.360 1.00 73.80 C -14.644 6.318 -19.039 1.00 73.80 O -16.725 3.849 -18.252 1.00 73.80 C -16.695 4.695 -16.975 1.00 73.80 C -17.813 6.125 -17.001 1.00 73.80 S -18.901 5.709 -15.613 1.00 73.80 C -13.857 4.313 -19.647 1.00 71.77 N -12.457 4.735 -19.664 1.00 71.77 C -12.170 5.756 -20.774 1.00 71.77 C -11.561 6.794 -20.512 1.00 71.77 O -11.557 3.502 -19.804 1.00 71.77 C -10.099 3.859 -20.008 1.00 71.77 C -9.530 3.803 -21.295 1.00 71.77 C -9.337 4.317 -18.917 1.00 71.77 C -8.194 4.198 -21.491 1.00 71.77 C -7.999 4.711 -19.108 1.00 71.77 C -7.428 4.654 -20.399 1.00 71.77 C -6.142 5.048 -20.592 1.00 71.77 O -12.625 5.486 -22.001 1.00 72.97 N -12.471 6.397 -23.139 1.00 72.97 C -13.183 7.721 -22.878 1.00 72.97 C -12.597 8.776 -23.107 1.00 72.97 O -13.003 5.745 -24.424 1.00 72.97 C -12.119 4.583 -24.891 1.00 72.97 C -10.420 5.026 -25.358 1.00 72.97 S -10.737 5.911 -26.911 1.00 72.97 C -14.387 7.667 -22.306 1.00 70.26 N -15.137 8.830 -21.856 1.00 70.26 C -14.342 9.606 -20.806 1.00 70.26 C -14.087 10.779 -21.017 1.00 70.26 O -16.512 8.391 -21.338 1.00 70.26 C -17.424 9.550 -21.001 1.00 70.26 C -17.614 9.946 -19.663 1.00 70.26 C -18.077 10.244 -22.036 1.00 70.26 C -18.461 11.029 -19.365 1.00 70.26 C -18.916 11.330 -21.738 1.00 70.26 C -19.108 11.724 -20.403 1.00 70.26 C -13.821 8.957 -19.758 1.00 69.27 N -12.967 9.606 -18.749 1.00 69.27 C -11.699 10.247 -19.345 1.00 69.27 C -11.245 11.291 -18.874 1.00 69.27 O -12.600 8.586 -17.666 1.00 69.27 C -11.790 9.171 -16.664 1.00 69.27 O -11.122 9.664 -20.406 1.00 69.91 N -9.972 10.240 -21.123 1.00 69.91 C -10.376 11.456 -21.966 1.00 69.91 C -9.671 12.460 -21.932 1.00 69.91 O -9.277 9.142 -21.953 1.00 69.91 C -7.907 9.586 -22.499 1.00 69.91 C -7.218 8.465 -23.298 1.00 69.91 C -5.866 8.948 -23.856 1.00 69.91 C -5.170 7.909 -24.667 1.00 69.91 N1+ -11.497 11.382 -22.686 1.00 64.68 N -12.024 12.464 -23.528 1.00 64.68 C -12.583 13.626 -22.700 1.00 64.68 C -12.348 14.788 -23.035 1.00 64.68 O -13.130 11.918 -24.441 1.00 64.68 C -12.599 11.040 -25.586 1.00 64.68 C -13.725 10.426 -26.415 1.00 64.68 C -13.413 9.686 -27.456 1.00 64.68 N -14.902 10.586 -26.151 1.00 64.68 O -13.254 13.349 -21.581 1.00 58.80 N -13.782 14.381 -20.682 1.00 58.80 C -12.673 15.273 -20.152 1.00 58.80 C -12.874 16.477 -20.051 1.00 58.80 O -14.537 13.794 -19.486 1.00 58.80 C -15.876 13.174 -19.876 1.00 58.80 C -13.774 12.833 -18.788 1.00 58.80 O -11.479 14.720 -19.906 1.00 60.90 N -10.299 15.483 -19.487 1.00 60.90 C -9.786 16.475 -20.548 1.00 60.90 C -8.983 17.335 -20.212 1.00 60.90 O -9.208 14.514 -19.011 1.00 60.90 C -9.573 13.812 -17.714 1.00 60.90 C -8.933 12.704 -17.424 1.00 60.90 N -10.432 14.216 -16.952 1.00 60.90 O -10.244 16.382 -21.802 1.00 63.60 N -9.828 17.274 -22.897 1.00 63.60 C -10.858 18.344 -23.281 1.00 63.60 C -10.488 19.354 -23.868 1.00 63.60 O -9.412 16.443 -24.118 1.00 63.60 C -10.483 15.709 -24.688 1.00 63.60 O -12.143 18.163 -22.950 1.00 70.73 N -13.223 19.053 -23.402 1.00 70.73 C -13.714 19.999 -22.307 1.00 70.73 C -14.197 19.566 -21.262 1.00 70.73 O -14.382 18.224 -23.939 1.00 70.73 C -15.485 19.057 -24.269 1.00 70.73 O -13.685 21.303 -22.589 1.00 72.22 N -14.051 22.359 -21.641 1.00 72.22 C -15.527 22.299 -21.179 1.00 72.22 C -15.827 22.488 -20.002 1.00 72.22 O -13.703 23.700 -22.315 1.00 72.22 C -13.709 24.873 -21.351 1.00 72.22 C -13.732 26.083 -21.855 1.00 72.22 N -13.686 24.731 -20.145 1.00 72.22 O -16.474 21.974 -22.076 1.00 73.23 N -17.903 21.853 -21.713 1.00 73.23 C -18.138 20.707 -20.724 1.00 73.23 C -18.880 20.868 -19.757 1.00 73.23 O -18.765 21.707 -22.982 1.00 73.23 C -20.278 21.720 -22.683 1.00 73.23 C -21.117 21.657 -23.971 1.00 73.23 C -22.620 21.654 -23.644 1.00 73.23 C -23.470 21.639 -24.867 1.00 73.23 N1+ -17.476 19.569 -20.939 1.00 68.63 N -17.554 18.430 -20.025 1.00 68.63 C -16.837 18.700 -18.702 1.00 68.63 C -17.332 18.255 -17.671 1.00 68.63 O -17.016 17.166 -20.702 1.00 68.63 C -17.955 16.598 -21.750 1.00 68.63 C -19.191 16.054 -21.357 1.00 68.63 C -17.604 16.595 -23.112 1.00 68.63 C -20.064 15.516 -22.319 1.00 68.63 C -18.473 16.057 -24.075 1.00 68.63 C -19.704 15.514 -23.678 1.00 68.63 C -15.744 19.471 -18.704 1.00 73.55 N -15.102 19.922 -17.466 1.00 73.55 C -16.076 20.706 -16.583 1.00 73.55 C -16.245 20.344 -15.425 1.00 73.55 O -13.846 20.758 -17.765 1.00 73.55 C -12.666 19.913 -18.262 1.00 73.55 C -12.266 18.851 -17.249 1.00 73.55 C -12.097 17.622 -17.655 1.00 73.55 N -12.158 19.072 -16.060 1.00 73.55 O -16.808 21.684 -17.137 1.00 78.22 N -17.813 22.448 -16.371 1.00 78.22 C -18.894 21.553 -15.753 1.00 78.22 C -19.212 21.703 -14.577 1.00 78.22 O -18.457 23.535 -17.246 1.00 78.22 C -17.479 24.661 -17.611 1.00 78.22 C -18.203 25.774 -18.381 1.00 78.22 C -17.222 26.894 -18.750 1.00 78.22 C -17.910 28.048 -19.389 1.00 78.22 N1+ -19.429 20.597 -16.519 1.00 78.73 N -20.434 19.649 -16.019 1.00 78.73 C -19.870 18.727 -14.924 1.00 78.73 C -20.552 18.440 -13.943 1.00 78.73 O -20.980 18.831 -17.204 1.00 78.73 C -22.078 17.819 -16.817 1.00 78.73 C -23.347 18.505 -16.311 1.00 78.73 C -22.439 16.966 -18.033 1.00 78.73 C -18.631 18.258 -15.085 1.00 77.09 N -17.955 17.430 -14.087 1.00 77.09 C -17.680 18.201 -12.799 1.00 77.09 C -17.865 17.636 -11.726 1.00 77.09 O -16.640 16.887 -14.665 1.00 77.09 C -16.815 15.737 -15.667 1.00 77.09 C -15.458 15.417 -16.288 1.00 77.09 C -17.338 14.460 -15.003 1.00 77.09 C -17.288 19.472 -12.901 1.00 83.64 N -17.123 20.358 -11.745 1.00 83.64 C -18.452 20.581 -11.024 1.00 83.64 C -18.495 20.504 -9.803 1.00 83.64 O -16.518 21.704 -12.164 1.00 83.64 C -16.199 22.595 -10.967 1.00 83.64 C -15.302 21.511 -12.847 1.00 83.64 O -19.555 20.788 -11.751 1.00 85.94 N -20.874 20.925 -11.129 1.00 85.94 C -21.263 19.660 -10.340 1.00 85.94 C -21.625 19.749 -9.168 1.00 85.94 O -21.902 21.271 -12.213 1.00 85.94 C -21.088 18.472 -10.938 1.00 86.00 N -21.340 17.190 -10.259 1.00 86.00 C -20.394 16.933 -9.084 1.00 86.00 C -20.815 16.375 -8.077 1.00 86.00 O -21.254 16.030 -11.257 1.00 86.00 C -22.459 16.015 -12.202 1.00 86.00 C -22.474 14.728 -13.030 1.00 86.00 C -23.769 14.705 -13.842 1.00 86.00 C -24.020 13.373 -14.438 1.00 86.00 N1+ -19.119 17.320 -9.186 1.00 86.68 N -18.170 17.157 -8.076 1.00 86.68 C -18.507 18.063 -6.897 1.00 86.68 C -18.329 17.655 -5.751 1.00 86.68 O -16.715 17.372 -8.511 1.00 86.68 C -16.395 18.703 -8.861 1.00 86.68 O -19.016 19.266 -7.161 1.00 91.09 N -19.477 20.188 -6.127 1.00 91.09 C -20.775 19.710 -5.470 1.00 91.09 C -20.887 19.787 -4.249 1.00 91.09 O -19.657 21.579 -6.738 1.00 91.09 C -18.300 22.228 -7.039 1.00 91.09 C -18.429 23.562 -7.760 1.00 91.09 C -17.326 24.247 -7.965 1.00 91.09 N -19.492 24.029 -8.137 1.00 91.09 O -21.723 19.171 -6.241 1.00 92.20 N -22.939 18.533 -5.713 1.00 92.20 C -22.591 17.359 -4.789 1.00 92.20 C -22.980 17.356 -3.621 1.00 92.20 O -23.812 18.091 -6.895 1.00 92.20 C -25.149 17.462 -6.476 1.00 92.20 C -26.008 17.071 -7.692 1.00 92.20 C -27.224 16.865 -7.503 1.00 92.20 O -25.455 17.005 -8.821 1.00 92.20 O1- -21.737 16.444 -5.259 1.00 94.04 N -21.204 15.358 -4.437 1.00 94.04 C -20.523 15.876 -3.166 1.00 94.04 C -20.729 15.326 -2.090 1.00 94.04 O -20.208 14.535 -5.267 1.00 94.04 C -19.381 13.573 -4.434 1.00 94.04 C -18.033 13.861 -4.144 1.00 94.04 C -19.977 12.421 -3.892 1.00 94.04 C -17.280 12.987 -3.340 1.00 94.04 C -19.222 11.545 -3.091 1.00 94.04 C -17.873 11.825 -2.818 1.00 94.04 C -19.722 16.941 -3.266 1.00 94.67 N -19.024 17.515 -2.107 1.00 94.67 C -20.004 18.079 -1.081 1.00 94.67 C -19.780 17.908 0.115 1.00 94.67 O -18.024 18.598 -2.532 1.00 94.67 C -17.285 19.211 -1.340 1.00 94.67 C -17.053 18.017 -3.373 1.00 94.67 O -21.094 18.717 -1.522 1.00 94.87 N -22.148 19.205 -0.621 1.00 94.87 C -22.811 18.048 0.114 1.00 94.87 C -22.840 18.074 1.336 1.00 94.87 O -23.187 20.030 -1.390 1.00 94.87 C -22.644 21.401 -1.806 1.00 94.87 C -23.669 22.092 -2.708 1.00 94.87 C -23.198 23.416 -3.155 1.00 94.87 N -23.709 24.120 -4.149 1.00 94.87 C -24.720 23.689 -4.852 1.00 94.87 N1+ -23.211 25.285 -4.455 1.00 94.87 N -23.246 17.009 -0.600 1.00 96.70 N -23.829 15.815 0.030 1.00 96.70 C -22.856 15.123 0.993 1.00 96.70 C -23.236 14.733 2.098 1.00 96.70 O -24.247 14.791 -1.033 1.00 96.70 C -25.532 15.173 -1.771 1.00 96.70 C -26.074 13.975 -2.566 1.00 96.70 C -26.304 14.137 -3.779 1.00 96.70 O -26.270 12.891 -1.947 1.00 96.70 O1- -21.592 14.991 0.585 1.00 97.31 N -20.523 14.416 1.395 1.00 97.31 C -20.353 15.187 2.708 1.00 97.31 C -20.287 14.570 3.769 1.00 97.31 O -19.223 14.435 0.566 1.00 97.31 C -18.001 13.825 1.270 1.00 97.31 C -18.088 12.304 1.260 1.00 97.31 C -16.715 14.219 0.545 1.00 97.31 C -20.284 16.519 2.635 1.00 96.90 N -20.138 17.387 3.801 1.00 96.90 C -21.366 17.328 4.701 1.00 96.90 C -21.196 17.139 5.899 1.00 96.90 O -19.858 18.831 3.355 1.00 96.90 C -18.410 19.056 2.894 1.00 96.90 C -18.292 20.430 2.237 1.00 96.90 C -17.433 18.991 4.071 1.00 96.90 C -22.579 17.403 4.148 1.00 96.38 N -23.816 17.267 4.930 1.00 96.38 C -23.817 15.963 5.725 1.00 96.38 C -24.010 15.984 6.935 1.00 96.38 O -25.049 17.327 4.017 1.00 96.38 C -26.365 17.254 4.787 1.00 96.38 C -25.074 18.546 3.312 1.00 96.38 O -23.508 14.831 5.084 1.00 97.29 N -23.466 13.539 5.772 1.00 97.29 C -22.348 13.452 6.818 1.00 97.29 C -22.547 12.840 7.864 1.00 97.29 O -23.295 12.415 4.742 1.00 97.29 C -24.523 12.168 3.854 1.00 97.29 C -24.137 11.210 2.726 1.00 97.29 C -25.678 11.536 4.637 1.00 97.29 C -21.172 14.025 6.548 1.00 95.21 N -20.071 14.045 7.512 1.00 95.21 C -20.400 14.903 8.733 1.00 95.21 C -20.123 14.473 9.850 1.00 95.21 O -18.793 14.563 6.838 1.00 95.21 C -18.071 13.526 5.969 1.00 95.21 C -16.976 14.235 5.177 1.00 95.21 C -17.408 12.427 6.806 1.00 95.21 C -21.001 16.075 8.529 1.00 93.70 N -21.436 16.979 9.597 1.00 93.70 C -22.510 16.297 10.446 1.00 93.70 C -22.343 16.218 11.658 1.00 93.70 O -21.908 18.322 8.999 1.00 93.70 C -20.703 19.071 8.385 1.00 93.70 C -22.585 19.189 10.075 1.00 93.70 C -21.103 20.232 7.467 1.00 93.70 C -23.524 15.692 9.818 1.00 92.38 N -24.567 14.922 10.512 1.00 92.38 C -23.996 13.762 11.343 1.00 92.38 C -24.559 13.383 12.369 1.00 92.38 O -25.525 14.293 9.489 1.00 92.38 C -26.443 15.253 8.736 1.00 92.38 C -26.613 16.413 9.158 1.00 92.38 O -27.063 14.746 7.765 1.00 92.38 O1- -22.895 13.161 10.883 1.00 92.09 N -22.223 12.077 11.591 1.00 92.09 C -21.170 12.574 12.589 1.00 92.09 C -20.564 11.745 13.254 1.00 92.09 O -21.594 11.095 10.589 1.00 92.09 C -22.856 10.285 9.571 1.00 92.09 S -20.875 13.867 12.704 1.00 89.02 N -19.833 14.352 13.625 1.00 89.02 C -20.461 14.680 14.979 1.00 89.02 C -21.423 15.435 15.051 1.00 89.02 O -19.062 15.530 13.015 1.00 89.02 C -17.917 16.003 13.907 1.00 89.02 C -18.455 15.098 11.813 1.00 89.02 O -19.941 14.090 16.062 1.00 74.48 N -20.441 14.369 17.417 1.00 74.48 C -20.025 15.766 17.887 1.00 74.48 C -18.898 16.194 17.641 1.00 74.48 O -19.961 13.315 18.422 1.00 74.48 C -20.529 13.583 19.691 1.00 74.48 O -20.913 16.438 18.626 1.00 64.18 N -20.607 17.684 19.340 1.00 64.18 C -19.770 17.448 20.609 1.00 64.18 C -19.207 18.394 21.167 1.00 64.18 O -21.927 18.390 19.702 1.00 64.18 C -22.613 19.041 18.515 1.00 64.18 C -23.880 19.355 18.640 1.00 64.18 N -22.031 19.307 17.482 1.00 64.18 O -19.695 16.205 21.093 1.00 55.55 N -18.903 15.876 22.272 1.00 55.55 C -17.417 16.022 21.944 1.00 55.55 C -16.852 15.297 21.122 1.00 55.55 O -19.229 14.479 22.809 1.00 55.55 C -20.662 14.405 23.358 1.00 55.55 C -20.969 13.064 24.039 1.00 55.55 C -22.046 12.984 24.667 1.00 55.55 O -20.140 12.132 23.913 1.00 55.55 O1- -16.779 17.001 22.592 1.00 52.80 N -15.355 17.304 22.453 1.00 52.80 C -14.514 16.042 22.692 1.00 52.80 C -14.204 15.698 23.824 1.00 52.80 O -14.964 18.421 23.443 1.00 52.80 C -15.513 19.808 23.068 1.00 52.80 C -15.121 20.848 24.132 1.00 52.80 C -15.623 22.243 23.735 1.00 52.80 C -15.356 23.253 24.794 1.00 52.80 N1+ -14.048 15.433 21.605 1.00 49.90 N -12.892 14.539 21.554 1.00 49.90 C -12.942 13.289 22.457 1.00 49.90 C -12.003 13.067 23.230 1.00 49.90 O -11.610 15.360 21.820 1.00 49.90 C -11.410 16.537 20.895 1.00 49.90 C -11.085 17.689 21.433 1.00 49.90 N -11.488 16.433 19.685 1.00 49.90 O -13.884 12.361 22.250 1.00 48.34 N -13.427 10.967 22.332 1.00 48.34 C -12.409 10.814 21.196 1.00 48.34 C -12.734 10.882 20.011 1.00 48.34 O -14.571 9.945 22.320 1.00 48.34 C -15.364 10.035 21.160 1.00 48.34 O -11.115 10.816 21.538 1.00 52.62 N -10.057 10.667 20.540 1.00 52.62 C -10.362 9.452 19.656 1.00 52.62 C -10.978 8.508 20.153 1.00 52.62 O -9.955 9.450 18.369 1.00 54.49 N -10.284 8.351 17.461 1.00 54.49 C -9.947 7.032 18.148 1.00 54.49 C -8.867 6.963 18.743 1.00 54.49 O -9.417 8.580 16.215 1.00 54.49 C -8.256 9.434 16.729 1.00 54.49 C -8.932 10.301 17.791 1.00 54.49 C -10.833 6.030 18.090 1.00 54.57 N -10.573 4.689 18.627 1.00 54.57 C -9.272 4.176 17.999 1.00 54.57 C -9.231 3.655 16.879 1.00 54.57 O -11.725 3.709 18.335 1.00 54.57 C -12.989 3.924 19.181 1.00 54.57 C -14.060 2.840 18.926 1.00 54.57 C -15.033 2.791 19.705 1.00 54.57 O -13.923 2.059 17.949 1.00 54.57 O1- -8.144 4.431 18.668 1.00 55.14 N -6.841 4.062 18.138 1.00 55.14 C -6.782 2.559 18.244 1.00 55.14 C -7.044 1.995 19.299 1.00 55.14 O -5.677 4.745 18.872 1.00 55.14 C -5.587 6.243 18.546 1.00 55.14 C -4.310 6.854 19.130 1.00 55.14 C -4.247 8.306 18.875 1.00 55.14 N -3.318 9.136 19.317 1.00 55.14 C -2.291 8.721 20.006 1.00 55.14 N1+ -3.415 10.415 19.091 1.00 55.14 N -6.366 1.915 17.165 1.00 62.81 N -5.976 0.522 17.235 1.00 62.81 C -4.801 0.392 18.216 1.00 62.81 C -3.661 0.727 17.890 1.00 62.81 O -5.635 0.051 15.827 1.00 62.81 C -5.426 -1.438 15.739 1.00 62.81 C -4.129 -1.976 15.769 1.00 62.81 C -6.538 -2.278 15.555 1.00 62.81 C -3.942 -3.347 15.533 1.00 62.81 C -6.347 -3.645 15.311 1.00 62.81 C -5.048 -4.172 15.284 1.00 62.81 C -5.096 -0.015 19.448 1.00 65.52 N -4.130 -0.129 20.552 1.00 65.52 C -3.362 -1.444 20.505 1.00 65.52 C -2.247 -1.531 21.024 1.00 65.52 O -4.850 -0.022 21.906 1.00 65.52 C -5.293 1.404 22.223 1.00 65.52 C -5.990 -0.850 21.885 1.00 65.52 O -3.928 -2.461 19.849 1.00 82.87 N -3.345 -3.800 19.752 1.00 82.87 C -2.101 -3.778 18.862 1.00 82.87 C -2.090 -3.190 17.783 1.00 82.87 O -4.410 -4.811 19.295 1.00 82.87 C -5.579 -4.886 20.305 1.00 82.87 C -6.641 -5.932 19.950 1.00 82.87 C -7.204 -5.674 18.623 1.00 82.87 N -7.801 -6.573 17.880 1.00 82.87 C -8.355 -7.655 18.322 1.00 82.87 N1+ -7.804 -6.380 16.611 1.00 82.87 N -1.020 -4.405 19.322 1.00 83.04 N 0.259 -4.455 18.602 1.00 83.04 C 0.523 -5.883 18.156 1.00 83.04 C 0.699 -6.766 18.984 1.00 83.04 O 1.398 -3.914 19.478 1.00 83.04 C 1.270 -2.407 19.752 1.00 83.04 C 2.419 -1.932 20.651 1.00 83.04 C 2.249 -0.451 21.008 1.00 83.04 C 3.243 -0.020 22.027 1.00 83.04 N1+ 0.599 -6.077 16.846 1.00 89.55 N 0.932 -7.359 16.234 1.00 89.55 C 2.295 -7.285 15.547 1.00 89.55 C 2.752 -6.213 15.130 1.00 89.55 O -0.189 -7.777 15.273 1.00 89.55 C -1.528 -7.953 15.967 1.00 89.55 C -1.779 -9.120 16.712 1.00 89.55 C -2.500 -6.935 15.925 1.00 89.55 C -2.992 -9.271 17.406 1.00 89.55 C -3.704 -7.088 16.637 1.00 89.55 C -3.955 -8.255 17.369 1.00 89.55 C 2.947 -8.438 15.399 1.00 87.69 N 4.162 -8.544 14.598 1.00 87.69 C 3.843 -8.178 13.145 1.00 87.69 C 2.892 -8.697 12.570 1.00 87.69 O 4.726 -9.973 14.689 1.00 87.69 C 5.263 -10.366 16.077 1.00 87.69 C 5.637 -11.846 16.066 1.00 87.69 C 6.502 -9.551 16.457 1.00 87.69 C 4.653 -7.318 12.516 1.00 83.63 N 4.439 -6.919 11.108 1.00 83.63 C 4.627 -8.087 10.142 1.00 83.63 C 3.935 -8.194 9.131 1.00 83.63 O 5.392 -5.782 10.719 1.00 83.63 C 5.055 -4.471 11.435 1.00 83.63 C 5.996 -3.358 10.963 1.00 83.63 C 5.631 -2.058 11.680 1.00 83.63 C 6.556 -0.959 11.313 1.00 83.63 N1+ 5.599 -8.943 10.427 1.00 83.69 N 5.863 -10.159 9.676 1.00 83.69 C 6.409 -11.234 10.609 1.00 83.69 C 7.033 -10.916 11.619 1.00 83.69 O 6.819 -9.878 8.502 1.00 83.69 C 8.211 -9.403 8.890 1.00 83.69 C 8.481 -8.027 9.022 1.00 83.69 C 9.236 -10.339 9.132 1.00 83.69 C 9.763 -7.589 9.403 1.00 83.69 C 10.516 -9.901 9.516 1.00 83.69 C 10.779 -8.528 9.653 1.00 83.69 C 6.199 -12.489 10.231 1.00 85.00 N 6.851 -13.648 10.832 1.00 85.00 C 7.376 -14.565 9.725 1.00 85.00 C 6.778 -14.681 8.645 1.00 85.00 O 5.919 -14.382 11.804 1.00 85.00 C 6.609 -15.530 12.237 1.00 85.00 O 8.538 -15.166 9.975 1.00 81.97 N 9.113 -16.212 9.129 1.00 81.97 C 8.833 -17.616 9.677 1.00 81.97 C 9.214 -18.587 9.025 1.00 81.97 O 10.614 -15.957 8.953 1.00 81.97 C 10.925 -14.688 8.185 1.00 81.97 C 12.030 -14.061 8.514 1.00 81.97 N 10.218 -14.246 7.281 1.00 81.97 O 8.145 -17.701 10.811 1.00 87.73 N 7.685 -18.945 11.409 1.00 87.73 C 6.352 -19.375 10.775 1.00 87.73 C 5.728 -18.630 10.003 1.00 87.73 O 7.606 -18.777 12.937 1.00 87.73 C 8.910 -18.197 13.498 1.00 87.73 C 9.980 -18.736 13.139 1.00 87.73 O 8.823 -17.144 14.169 1.00 87.73 O1- 5.926 -20.607 11.054 1.00 88.52 N 4.591 -21.070 10.663 1.00 88.52 C 3.510 -20.347 11.481 1.00 88.52 C 3.772 -19.747 12.526 1.00 88.52 O 4.512 -22.611 10.739 1.00 88.52 C 3.242 -23.282 10.161 1.00 88.52 C 2.959 -23.000 8.666 1.00 88.52 C 2.467 -21.897 8.318 1.00 88.52 O 3.202 -23.875 7.793 1.00 88.52 O1- 2.282 -20.367 10.968 1.00 91.81 N 1.124 -19.834 11.687 1.00 91.81 C 0.999 -20.531 13.053 1.00 91.81 C 1.117 -21.759 13.099 1.00 91.81 O -0.150 -20.034 10.851 1.00 91.81 C -0.076 -19.204 9.556 1.00 91.81 C -1.413 -19.615 11.625 1.00 91.81 C -1.031 -19.775 8.516 1.00 91.81 C 0.719 -19.787 14.142 1.00 91.63 N 0.507 -20.387 15.452 1.00 91.63 C -0.601 -21.452 15.422 1.00 91.63 C -1.593 -21.274 14.700 1.00 91.63 O 0.160 -19.233 16.397 1.00 91.63 C 0.800 -18.022 15.727 1.00 91.63 C 0.662 -18.335 14.241 1.00 91.63 C -0.463 -22.536 16.204 1.00 91.99 N -1.459 -23.598 16.249 1.00 91.99 C -2.829 -23.041 16.640 1.00 91.99 C -2.923 -22.037 17.349 1.00 91.99 O -0.933 -24.628 17.252 1.00 91.99 C -0.047 -23.793 18.175 1.00 91.99 C 0.550 -22.755 17.227 1.00 91.99 C -3.885 -23.675 16.136 1.00 91.40 N -5.261 -23.267 16.367 1.00 91.40 C -5.609 -23.483 17.851 1.00 91.40 C -5.604 -24.633 18.296 1.00 91.40 O -6.184 -24.066 15.429 1.00 91.40 C -7.644 -23.582 15.462 1.00 91.40 C -7.777 -22.180 14.860 1.00 91.40 C -8.527 -24.528 14.647 1.00 91.40 C -5.900 -22.419 18.623 1.00 89.34 N -6.260 -22.560 20.026 1.00 89.34 C -7.602 -23.273 20.195 1.00 89.34 C -8.503 -23.138 19.366 1.00 89.34 O -6.307 -21.139 20.605 1.00 89.34 C -5.501 -20.309 19.608 1.00 89.34 C -5.794 -21.008 18.287 1.00 89.34 C -7.764 -23.968 21.319 1.00 88.56 N -9.065 -24.480 21.738 1.00 88.56 C -9.914 -23.338 22.318 1.00 88.56 C -9.804 -22.969 23.493 1.00 88.56 O -8.881 -25.648 22.713 1.00 88.56 C -10.209 -26.304 23.098 1.00 88.56 C -11.274 -25.827 22.631 1.00 88.56 O -10.140 -27.261 23.900 1.00 88.56 O1- -10.749 -22.747 21.463 1.00 90.87 N -11.614 -21.627 21.835 1.00 90.87 C -12.731 -22.017 22.807 1.00 90.87 C -13.293 -21.127 23.438 1.00 90.87 O -12.220 -20.990 20.580 1.00 90.87 C -11.226 -20.604 19.505 1.00 90.87 C -10.144 -19.756 19.811 1.00 90.87 C -11.380 -21.098 18.197 1.00 90.87 C -9.212 -19.417 18.814 1.00 90.87 C -10.450 -20.758 17.202 1.00 90.87 C -9.364 -19.919 17.510 1.00 90.87 C -13.041 -23.313 22.954 1.00 86.41 N -14.028 -23.766 23.942 1.00 86.41 C -13.519 -23.557 25.371 1.00 86.41 C -14.280 -23.152 26.244 1.00 86.41 O -14.420 -25.228 23.697 1.00 86.41 C -13.402 -26.139 24.058 1.00 86.41 O -12.209 -23.742 25.586 1.00 89.46 N -11.537 -23.499 26.870 1.00 89.46 C -11.178 -22.032 27.069 1.00 89.46 C -11.298 -21.519 28.174 1.00 89.46 O -10.279 -24.371 26.968 1.00 89.46 C -10.635 -25.861 26.996 1.00 89.46 C -9.374 -26.722 27.082 1.00 89.46 C -9.798 -28.187 26.976 1.00 89.46 C -8.632 -29.098 27.003 1.00 89.46 N1+ -10.737 -21.358 26.004 1.00 90.70 N -10.268 -19.973 26.067 1.00 90.70 C -10.938 -19.076 25.005 1.00 90.70 C -10.286 -18.684 24.029 1.00 90.70 O -8.738 -19.973 25.963 1.00 90.70 C -8.069 -20.657 27.135 1.00 90.70 C -7.317 -21.706 26.899 1.00 90.70 N -8.191 -20.249 28.270 1.00 90.70 O -12.214 -18.690 25.200 1.00 90.81 N -12.968 -17.847 24.265 1.00 90.81 C -12.271 -16.525 23.905 1.00 90.81 C -12.294 -16.088 22.755 1.00 90.81 O -14.295 -17.583 24.987 1.00 90.81 C -14.506 -18.833 25.829 1.00 90.81 C -13.087 -19.157 26.275 1.00 90.81 C -11.586 -15.909 24.876 1.00 88.09 N -10.906 -14.614 24.727 1.00 88.09 C -9.747 -14.650 23.715 1.00 88.09 C -9.397 -13.625 23.128 1.00 88.09 O -10.375 -14.169 26.098 1.00 88.09 C -11.477 -13.964 27.154 1.00 88.09 C -10.913 -13.592 28.524 1.00 88.09 C -11.740 -13.500 29.541 1.00 88.09 N -9.726 -13.390 28.708 1.00 88.09 O -9.161 -15.828 23.464 1.00 92.62 N -8.072 -15.971 22.498 1.00 92.62 C -8.549 -15.837 21.051 1.00 92.62 C -7.723 -15.542 20.189 1.00 92.62 O -7.351 -17.316 22.690 1.00 92.62 C -6.604 -17.466 24.026 1.00 92.62 C -5.927 -18.837 24.064 1.00 92.62 C -5.523 -16.401 24.222 1.00 92.62 C -9.842 -16.031 20.771 1.00 96.25 N -10.369 -16.002 19.407 1.00 96.25 C -10.123 -14.652 18.728 1.00 96.25 C -9.528 -14.605 17.651 1.00 96.25 O -11.859 -16.357 19.420 1.00 96.25 C -12.478 -16.373 18.038 1.00 96.25 C -13.379 -15.367 17.648 1.00 96.25 C -12.148 -17.397 17.133 1.00 96.25 C -13.968 -15.404 16.374 1.00 96.25 C -12.711 -17.416 15.845 1.00 96.25 C -13.625 -16.419 15.464 1.00 96.25 C -10.495 -13.546 19.378 1.00 94.85 N -10.298 -12.210 18.813 1.00 94.85 C -8.811 -11.902 18.580 1.00 94.85 C -8.430 -11.433 17.503 1.00 94.85 O -10.966 -11.154 19.708 1.00 94.85 C -10.895 -9.790 19.018 1.00 94.85 C -11.408 -8.640 19.877 1.00 94.85 C -10.570 -7.736 20.123 1.00 94.85 O -12.630 -8.624 20.150 1.00 94.85 O1- -7.950 -12.219 19.553 1.00 93.47 N -6.509 -12.018 19.417 1.00 93.47 C -5.912 -12.889 18.298 1.00 93.47 C -5.058 -12.425 17.545 1.00 93.47 O -5.839 -12.289 20.772 1.00 93.47 C -4.360 -11.945 20.738 1.00 93.47 C -3.504 -12.837 21.179 1.00 93.47 N -3.951 -10.877 20.314 1.00 93.47 O -6.385 -14.128 18.139 1.00 96.37 N -5.937 -15.039 17.086 1.00 96.37 C -6.321 -14.533 15.692 1.00 96.37 C -5.476 -14.506 14.795 1.00 96.37 O -6.499 -16.441 17.347 1.00 96.37 C -5.894 -17.502 16.453 1.00 96.37 C -6.622 -18.032 15.370 1.00 96.37 C -4.596 -17.972 16.729 1.00 96.37 C -6.049 -19.041 14.571 1.00 96.37 C -4.024 -18.976 15.929 1.00 96.37 C -4.746 -19.512 14.848 1.00 96.37 C -4.195 -20.494 14.090 1.00 96.37 O -7.554 -14.046 15.511 1.00 97.31 N -7.975 -13.383 14.266 1.00 97.31 C -7.121 -12.136 14.005 1.00 97.31 C -6.698 -11.914 12.865 1.00 97.31 O -9.482 -13.046 14.308 1.00 97.31 C -10.363 -14.314 14.413 1.00 97.31 C -9.890 -12.207 13.082 1.00 97.31 C -10.332 -15.263 13.209 1.00 97.31 C -6.800 -11.370 15.050 1.00 94.92 N -5.871 -10.246 14.983 1.00 94.92 C -4.480 -10.656 14.484 1.00 94.92 C -3.977 -10.078 13.520 1.00 94.92 O -3.887 -11.709 15.055 1.00 95.44 N -2.593 -12.263 14.625 1.00 95.44 C -2.648 -12.683 13.151 1.00 95.44 C -1.797 -12.275 12.358 1.00 95.44 O -2.180 -13.443 15.541 1.00 95.44 C -1.809 -12.943 16.955 1.00 95.44 C -0.994 -14.220 14.942 1.00 95.44 C -1.751 -14.053 18.013 1.00 95.44 C -3.665 -13.454 12.757 1.00 96.16 N -3.842 -13.903 11.373 1.00 96.16 C -3.974 -12.731 10.390 1.00 96.16 C -3.440 -12.790 9.280 1.00 96.16 O -5.085 -14.808 11.293 1.00 96.16 C -4.947 -16.203 11.933 1.00 96.16 C -6.225 -16.990 11.636 1.00 96.16 C -3.764 -17.005 11.392 1.00 96.16 C -4.669 -11.671 10.798 1.00 95.45 N -5.018 -10.549 9.927 1.00 95.45 C -3.920 -9.492 9.811 1.00 95.45 C -3.735 -8.919 8.735 1.00 95.45 O -6.309 -9.899 10.420 1.00 95.45 C -7.352 -10.855 10.417 1.00 95.45 O -3.181 -9.238 10.895 1.00 93.23 N -2.190 -8.157 10.987 1.00 93.23 C -0.739 -8.632 10.836 1.00 93.23 C 0.136 -7.811 10.549 1.00 93.23 O -2.406 -7.375 12.291 1.00 93.23 C -3.714 -6.622 12.320 1.00 93.23 C -4.873 -7.041 12.901 1.00 93.23 C -3.936 -5.376 11.731 1.00 93.23 N -5.230 -5.090 11.956 1.00 93.23 C -5.818 -6.075 12.654 1.00 93.23 N -0.459 -9.935 10.966 1.00 92.08 N 0.887 -10.495 10.772 1.00 92.08 C 1.063 -11.120 9.391 1.00 92.08 C 0.339 -12.020 8.964 1.00 92.08 O 1.277 -11.470 11.896 1.00 92.08 C 2.705 -12.004 11.748 1.00 92.08 C 1.242 -10.791 13.131 1.00 92.08 O 2.099 -10.677 8.670 1.00 89.31 N 2.482 -11.273 7.386 1.00 89.31 C 3.362 -12.511 7.583 1.00 89.31 C 4.575 -12.395 7.757 1.00 89.31 O 3.138 -10.200 6.519 1.00 89.31 C 3.415 -10.719 5.104 1.00 89.31 C 4.037 -9.585 4.296 1.00 89.31 C 4.363 -10.052 2.883 1.00 89.31 C 4.888 -8.907 2.103 1.00 89.31 N1+ 2.767 -13.691 7.464 1.00 88.70 N 3.448 -14.984 7.476 1.00 88.70 C 4.108 -15.256 6.119 1.00 88.70 C 3.451 -15.562 5.112 1.00 88.70 O 2.455 -16.081 7.875 1.00 88.70 C 1.878 -15.869 9.258 1.00 88.70 C 2.625 -16.243 10.391 1.00 88.70 C 0.625 -15.247 9.422 1.00 88.70 C 2.127 -15.978 11.676 1.00 88.70 C 0.135 -14.972 10.707 1.00 88.70 C 0.886 -15.340 11.834 1.00 88.70 C 5.433 -15.110 6.077 1.00 80.91 N 6.232 -15.329 4.871 1.00 80.91 C 6.465 -16.819 4.598 1.00 80.91 C 6.568 -17.215 3.424 1.00 80.91 O 7.573 -14.603 5.022 1.00 80.91 C 7.451 -13.093 5.011 1.00 80.91 C 8.267 -12.444 5.805 1.00 80.91 N 6.692 -12.499 4.246 1.00 80.91 O 6.524 -17.631 5.659 1.00 82.17 N 6.662 -19.076 5.558 1.00 82.17 C 5.534 -19.649 4.706 1.00 82.17 C 4.372 -19.261 4.831 1.00 82.17 O 6.669 -19.720 6.941 1.00 82.17 C 7.024 -21.193 6.899 1.00 82.17 C 6.072 -22.152 7.276 1.00 82.17 C 8.311 -21.607 6.503 1.00 82.17 C 6.407 -23.516 7.289 1.00 82.17 C 8.638 -22.976 6.483 1.00 82.17 C 7.689 -23.930 6.889 1.00 82.17 C 5.901 -20.487 3.727 1.00 81.70 N 4.983 -21.107 2.750 1.00 81.70 C 4.013 -20.132 2.056 1.00 81.70 C 3.045 -20.563 1.435 1.00 81.70 O 4.264 -22.288 3.431 1.00 81.70 C 5.250 -23.389 3.853 1.00 81.70 C 4.531 -24.545 4.554 1.00 81.70 C 5.485 -25.607 4.930 1.00 81.70 N 5.179 -26.788 5.440 1.00 81.70 C 3.949 -27.166 5.625 1.00 81.70 N1+ 6.112 -27.627 5.790 1.00 81.70 N 4.308 -18.824 2.068 1.00 82.60 N 3.415 -17.763 1.579 1.00 82.60 C 2.009 -17.790 2.203 1.00 82.60 C 1.034 -17.487 1.510 1.00 82.60 O 3.356 -17.774 0.046 1.00 82.60 C 4.644 -17.577 -0.524 1.00 82.60 O 1.907 -18.148 3.485 1.00 87.34 N 0.645 -18.393 4.190 1.00 87.34 C -0.327 -17.207 4.188 1.00 87.34 C -1.524 -17.432 4.021 1.00 87.34 O 0.961 -18.826 5.623 1.00 87.34 C 1.559 -20.110 5.619 1.00 87.34 O 0.158 -15.962 4.274 1.00 88.31 N -0.716 -14.773 4.253 1.00 88.31 C -1.155 -14.311 2.863 1.00 88.31 C -1.969 -13.408 2.792 1.00 88.31 O -0.075 -13.580 4.969 1.00 88.31 C 0.192 -13.899 6.311 1.00 88.31 O -0.639 -14.855 1.747 1.00 85.95 N -1.049 -14.382 0.404 1.00 85.95 C -2.544 -14.633 0.153 1.00 85.95 C -3.139 -15.495 0.783 1.00 85.95 O -0.202 -15.035 -0.699 1.00 85.95 C 1.252 -14.550 -0.702 1.00 85.95 C 1.952 -15.053 -1.971 1.00 85.95 C 3.446 -14.729 -1.914 1.00 85.95 C 4.186 -15.523 -2.922 1.00 85.95 N1+ -3.115 -13.999 -0.879 1.00 78.83 N -4.530 -14.168 -1.259 1.00 78.83 C -4.959 -15.633 -1.508 1.00 78.83 C -6.113 -15.970 -1.306 1.00 78.83 O -4.810 -13.296 -2.502 1.00 78.83 C -6.291 -13.254 -2.947 1.00 78.83 C -7.191 -12.569 -1.918 1.00 78.83 C -6.410 -12.493 -4.266 1.00 78.83 C -4.047 -16.521 -1.917 1.00 79.66 N -4.318 -17.966 -2.064 1.00 79.66 C -3.680 -18.815 -0.956 1.00 79.66 C -3.590 -20.036 -1.074 1.00 79.66 O -3.866 -18.419 -3.459 1.00 79.66 C -4.669 -17.739 -4.540 1.00 79.66 C -4.084 -17.483 -5.685 1.00 79.66 N -5.826 -17.431 -4.388 1.00 79.66 O -3.150 -18.152 0.065 1.00 87.85 N -2.534 -18.767 1.222 1.00 87.85 C -3.574 -19.285 2.208 1.00 87.85 C -4.775 -19.032 2.088 1.00 87.85 O -3.090 -20.043 3.185 1.00 90.75 N -3.937 -20.727 4.158 1.00 90.75 C -4.643 -19.754 5.114 1.00 90.75 C -5.761 -20.048 5.513 1.00 90.75 O -3.113 -21.819 4.867 1.00 90.75 C -4.039 -22.797 5.614 1.00 90.75 C -2.063 -21.201 5.794 1.00 90.75 C -3.315 -24.051 6.105 1.00 90.75 C -4.084 -18.563 5.388 1.00 94.11 N -4.718 -17.558 6.269 1.00 94.11 C -6.098 -17.148 5.752 1.00 94.11 C -7.057 -17.139 6.515 1.00 94.11 O -3.837 -16.305 6.430 1.00 94.11 C -4.528 -15.217 7.251 1.00 94.11 C -2.517 -16.632 7.136 1.00 94.11 C -6.241 -16.892 4.441 1.00 93.02 N -7.551 -16.591 3.833 1.00 93.02 C -8.560 -17.707 4.107 1.00 93.02 C -9.712 -17.419 4.417 1.00 93.02 O -7.399 -16.372 2.316 1.00 93.02 C -8.766 -16.228 1.612 1.00 93.02 C -8.590 -16.074 0.104 1.00 93.02 C -9.857 -16.106 -0.649 1.00 93.02 N -9.974 -16.367 -1.945 1.00 93.02 C -8.947 -16.621 -2.709 1.00 93.02 N1+ -11.140 -16.370 -2.523 1.00 93.02 N -8.133 -18.963 3.944 1.00 91.13 N -8.984 -20.145 4.138 1.00 91.13 C -9.374 -20.290 5.607 1.00 91.13 C -10.545 -20.488 5.895 1.00 91.13 O -8.284 -21.420 3.644 1.00 91.13 C -7.823 -21.364 2.180 1.00 91.13 C -7.113 -22.676 1.819 1.00 91.13 C -6.367 -22.555 0.489 1.00 91.13 C -5.570 -23.779 0.221 1.00 91.13 N1+ -8.424 -20.087 6.522 1.00 94.28 N -8.671 -20.080 7.965 1.00 94.28 C -9.683 -19.009 8.353 1.00 94.28 C -10.653 -19.337 9.018 1.00 94.28 O -7.368 -19.876 8.747 1.00 94.28 C -6.442 -21.086 8.624 1.00 94.28 C -4.839 -20.866 9.423 1.00 94.28 S -5.344 -21.101 11.149 1.00 94.28 C -9.532 -17.768 7.883 1.00 95.76 N -10.506 -16.707 8.162 1.00 95.76 C -11.900 -17.059 7.626 1.00 95.76 C -12.884 -16.878 8.333 1.00 95.76 O -10.013 -15.372 7.579 1.00 95.76 C -8.778 -14.777 8.283 1.00 95.76 C -8.337 -13.525 7.529 1.00 95.76 C -9.049 -14.397 9.736 1.00 95.76 C -12.001 -17.620 6.412 1.00 92.74 N -13.286 -18.076 5.852 1.00 92.74 C -13.893 -19.246 6.627 1.00 92.74 C -15.103 -19.285 6.774 1.00 92.74 O -13.130 -18.442 4.367 1.00 92.74 C -12.968 -17.223 3.449 1.00 92.74 C -14.258 -16.395 3.372 1.00 92.74 C -14.158 -15.306 2.382 1.00 92.74 N -15.186 -14.649 1.875 1.00 92.74 C -16.415 -14.822 2.253 1.00 92.74 N1+ -15.029 -13.781 0.932 1.00 92.74 N -13.092 -20.173 7.136 1.00 92.21 N -13.594 -21.302 7.919 1.00 92.21 C -13.993 -20.882 9.348 1.00 92.21 C -15.057 -21.249 9.845 1.00 92.21 O -12.526 -22.398 7.904 1.00 92.21 C -13.017 -23.687 8.499 1.00 92.21 C -12.898 -24.074 9.807 1.00 92.21 C -13.686 -24.693 7.835 1.00 92.21 N -13.966 -25.660 8.724 1.00 92.21 C -13.492 -25.329 9.936 1.00 92.21 N -13.174 -20.051 10.001 1.00 95.06 N -13.427 -19.531 11.349 1.00 95.06 C -14.606 -18.560 11.389 1.00 95.06 C -15.300 -18.505 12.397 1.00 95.06 O -12.162 -18.840 11.889 1.00 95.06 C -10.991 -19.790 12.195 1.00 95.06 C -9.759 -18.979 12.601 1.00 95.06 C -11.319 -20.770 13.320 1.00 95.06 C -14.859 -17.828 10.305 1.00 95.20 N -16.032 -16.966 10.166 1.00 95.20 C -17.165 -17.619 9.378 1.00 95.20 C -18.114 -16.930 9.029 1.00 95.20 O -15.632 -15.611 9.563 1.00 95.20 C -14.638 -14.816 10.416 1.00 95.20 C -14.323 -13.513 9.691 1.00 95.20 C -15.199 -14.469 11.795 1.00 95.20 C -17.110 -18.918 9.080 1.00 93.45 N -18.175 -19.540 8.300 1.00 93.45 C -19.525 -19.422 9.038 1.00 93.45 C -19.583 -19.749 10.226 1.00 93.45 O -17.841 -20.995 7.966 1.00 93.45 C -18.724 -21.493 6.857 1.00 93.45 C -18.483 -21.360 5.520 1.00 93.45 C -19.957 -22.083 6.983 1.00 93.45 N -20.447 -22.294 5.750 1.00 93.45 C -19.588 -21.847 4.824 1.00 93.45 N -20.622 -18.989 8.391 1.00 89.48 N -21.911 -18.772 9.062 1.00 89.48 C -22.473 -20.013 9.770 1.00 89.48 C -23.115 -19.898 10.807 1.00 89.48 O -22.855 -18.277 7.966 1.00 89.48 C -21.895 -17.575 7.006 1.00 89.48 C -20.655 -18.446 7.044 1.00 89.48 C -22.178 -21.214 9.264 1.00 89.95 N -22.598 -22.485 9.891 1.00 89.95 C -21.707 -22.934 11.056 1.00 89.95 C -22.030 -23.911 11.733 1.00 89.95 O -22.692 -23.627 8.868 1.00 89.95 C -23.559 -23.273 7.659 1.00 89.95 C -21.408 -23.949 8.391 1.00 89.95 O -20.584 -22.252 11.308 1.00 91.06 N -19.653 -22.614 12.370 1.00 91.06 C -20.175 -22.148 13.739 1.00 91.06 C -19.890 -21.036 14.187 1.00 91.06 O -18.247 -22.090 12.030 1.00 91.06 C -17.207 -22.596 13.007 1.00 91.06 C -15.945 -22.473 12.672 1.00 91.06 N -17.517 -23.138 14.053 1.00 91.06 O -20.929 -23.029 14.405 1.00 88.97 N -21.565 -22.769 15.705 1.00 88.97 C -20.571 -22.545 16.851 1.00 88.97 C -20.939 -21.894 17.820 1.00 88.97 O -22.520 -23.922 16.065 1.00 88.97 C -23.690 -24.084 15.080 1.00 88.97 C -24.637 -25.203 15.540 1.00 88.97 C -25.798 -25.377 14.552 1.00 88.97 C -26.734 -26.447 14.986 1.00 88.97 N1+ -19.338 -23.057 16.760 1.00 90.12 N -18.355 -22.931 17.854 1.00 90.12 C -17.764 -21.529 17.925 1.00 90.12 C -17.560 -20.999 19.013 1.00 90.12 O -17.215 -23.958 17.752 1.00 90.12 C -17.717 -25.400 17.692 1.00 90.12 C -16.441 -23.759 16.597 1.00 90.12 O -17.525 -20.899 16.772 1.00 93.01 N -16.956 -19.547 16.702 1.00 93.01 C -18.009 -18.455 16.592 1.00 93.01 C -17.690 -17.310 16.891 1.00 93.01 O -15.987 -19.399 15.530 1.00 93.01 C -14.820 -20.386 15.595 1.00 93.01 C -16.674 -19.584 14.311 1.00 93.01 O -19.240 -18.773 16.170 1.00 91.95 N -20.342 -17.813 16.032 1.00 91.95 C -20.524 -16.889 17.258 1.00 91.95 C -20.486 -15.676 17.057 1.00 91.95 O -21.630 -18.569 15.648 1.00 91.95 C -22.845 -17.667 15.359 1.00 91.95 C -22.626 -16.815 14.112 1.00 91.95 C -24.080 -18.535 15.120 1.00 91.95 C -20.629 -17.390 18.509 1.00 92.16 N -20.815 -16.523 19.680 1.00 92.16 C -19.568 -15.702 20.056 1.00 92.16 C -19.660 -14.797 20.877 1.00 92.16 O -21.224 -17.470 20.814 1.00 92.16 C -20.535 -18.780 20.446 1.00 92.16 C -20.642 -18.792 18.925 1.00 92.16 C -18.401 -15.998 19.472 1.00 94.77 N -17.128 -15.334 19.782 1.00 94.77 C -16.839 -14.129 18.870 1.00 94.77 C -15.814 -13.461 19.019 1.00 94.77 O -15.985 -16.366 19.714 1.00 94.77 C -16.199 -17.649 20.535 1.00 94.77 C -14.947 -18.520 20.455 1.00 94.77 C -16.478 -17.332 22.000 1.00 94.77 C -17.698 -13.862 17.879 1.00 94.30 N -17.468 -12.837 16.851 1.00 94.30 C -17.853 -11.453 17.365 1.00 94.30 C -19.022 -11.091 17.402 1.00 94.30 O -18.241 -13.190 15.573 1.00 94.30 C -17.713 -14.475 14.931 1.00 94.30 C -18.649 -14.950 13.825 1.00 94.30 C -18.343 -16.339 13.453 1.00 94.30 N -19.034 -17.055 12.593 1.00 94.30 C -20.023 -16.560 11.907 1.00 94.30 N1+ -18.726 -18.308 12.433 1.00 94.30 N -16.846 -10.656 17.710 1.00 94.67 N -17.001 -9.236 18.036 1.00 94.67 C -16.912 -8.347 16.786 1.00 94.67 C -16.453 -8.770 15.720 1.00 94.67 O -15.951 -8.836 19.083 1.00 94.67 C -14.667 -8.747 18.490 1.00 94.67 O -17.268 -7.064 16.915 1.00 94.65 N -17.036 -6.085 15.848 1.00 94.65 C -15.552 -6.002 15.443 1.00 94.65 C -15.229 -5.815 14.268 1.00 94.65 O -17.568 -4.720 16.303 1.00 94.65 C -14.639 -6.213 16.394 1.00 94.39 N -13.206 -6.195 16.135 1.00 94.39 C -12.741 -7.405 15.311 1.00 94.39 C -11.932 -7.226 14.399 1.00 94.39 O -12.465 -6.077 17.470 1.00 94.39 C -10.963 -5.854 17.275 1.00 94.39 C -10.652 -4.598 16.467 1.00 94.39 C -9.896 -4.665 15.394 1.00 94.39 N -11.111 -3.505 16.741 1.00 94.39 O -13.292 -8.603 15.550 1.00 97.06 N -13.048 -9.807 14.725 1.00 97.06 C -13.393 -9.545 13.255 1.00 97.06 C -12.616 -9.861 12.342 1.00 97.06 O -13.886 -10.991 15.259 1.00 97.06 C -13.947 -12.167 14.285 1.00 97.06 C -13.336 -11.514 16.584 1.00 97.06 C -14.553 -8.931 13.019 1.00 97.89 N -14.998 -8.543 11.685 1.00 97.89 C -14.081 -7.490 11.059 1.00 97.89 C -13.656 -7.647 9.911 1.00 97.89 O -16.447 -8.049 11.768 1.00 97.89 C -17.436 -9.189 11.833 1.00 97.89 C -17.573 -9.990 10.695 1.00 97.89 C -18.205 -9.460 12.981 1.00 97.89 C -18.471 -11.057 10.678 1.00 97.89 C -19.126 -10.529 12.975 1.00 97.89 C -19.248 -11.323 11.813 1.00 97.89 C -20.104 -12.350 11.687 1.00 97.89 O -13.719 -6.456 11.819 1.00 96.94 N -12.828 -5.388 11.370 1.00 96.94 C -11.429 -5.903 11.002 1.00 96.94 C -10.896 -5.523 9.959 1.00 96.94 O -12.761 -4.310 12.465 1.00 96.94 C -14.031 -3.484 12.562 1.00 96.94 C -14.209 -2.758 13.641 1.00 96.94 N -14.829 -3.431 11.638 1.00 96.94 O -10.849 -6.801 11.797 1.00 96.70 N -9.560 -7.436 11.495 1.00 96.70 C -9.622 -8.230 10.192 1.00 96.70 C -8.748 -8.112 9.331 1.00 96.70 O -9.172 -8.376 12.638 1.00 96.70 C -8.739 -7.641 13.895 1.00 96.70 C -8.330 -6.455 13.818 1.00 96.70 O -8.736 -8.267 14.972 1.00 96.70 O1- -10.710 -8.967 9.994 1.00 97.41 N -10.910 -9.743 8.775 1.00 97.41 C -11.083 -8.830 7.557 1.00 97.41 C -10.419 -9.028 6.537 1.00 97.41 O -12.091 -10.687 8.964 1.00 97.41 C -11.806 -11.525 10.062 1.00 97.41 O -11.891 -7.768 7.660 1.00 97.97 N -12.015 -6.736 6.614 1.00 97.97 C -10.649 -6.109 6.312 1.00 97.97 C -10.312 -5.913 5.141 1.00 97.97 O -13.051 -5.657 7.021 1.00 97.97 C -14.475 -6.253 7.003 1.00 97.97 C -12.994 -4.437 6.076 1.00 97.97 C -15.542 -5.361 7.653 1.00 97.97 C -9.847 -5.815 7.337 1.00 96.09 N -8.490 -5.302 7.170 1.00 96.09 C -7.615 -6.284 6.380 1.00 96.09 C -7.005 -5.882 5.386 1.00 96.09 O -7.881 -4.963 8.536 1.00 96.09 C -6.424 -4.564 8.450 1.00 96.09 C -5.419 -5.547 8.541 1.00 96.09 C -6.077 -3.216 8.252 1.00 96.09 C -4.066 -5.185 8.419 1.00 96.09 C -4.723 -2.845 8.150 1.00 96.09 C -3.716 -3.834 8.230 1.00 96.09 C -2.410 -3.474 8.120 1.00 96.09 O -7.611 -7.572 6.735 1.00 96.35 N -6.851 -8.589 6.004 1.00 96.35 C -7.218 -8.609 4.514 1.00 96.35 C -6.338 -8.519 3.653 1.00 96.35 O -7.083 -9.971 6.625 1.00 96.35 C -6.450 -11.093 5.824 1.00 96.35 C -7.212 -11.787 4.864 1.00 96.35 C -5.090 -11.411 5.998 1.00 96.35 C -6.620 -12.794 4.082 1.00 96.35 C -4.500 -12.420 5.217 1.00 96.35 C -5.261 -13.110 4.257 1.00 96.35 C -8.511 -8.683 4.183 1.00 96.04 N -8.957 -8.705 2.784 1.00 96.04 C -8.680 -7.372 2.062 1.00 96.04 C -8.338 -7.379 0.875 1.00 96.04 O -10.433 -9.122 2.711 1.00 96.04 C -10.662 -10.603 2.969 1.00 96.04 C -10.383 -11.549 1.968 1.00 96.04 C -11.151 -11.052 4.206 1.00 96.04 C -10.597 -12.918 2.201 1.00 96.04 C -11.303 -12.424 4.469 1.00 96.04 C -11.036 -13.362 3.462 1.00 96.04 C -8.722 -6.241 2.776 1.00 93.91 N -8.347 -4.909 2.274 1.00 93.91 C -6.880 -4.819 1.857 1.00 93.91 C -6.557 -4.229 0.821 1.00 93.91 O -8.576 -3.853 3.360 1.00 93.91 C -8.217 -2.562 2.887 1.00 93.91 O -5.964 -5.375 2.652 1.00 92.19 N -4.530 -5.401 2.327 1.00 92.19 C -4.223 -6.317 1.130 1.00 92.19 C -3.220 -6.130 0.440 1.00 92.19 O -3.709 -5.790 3.569 1.00 92.19 C -3.780 -4.763 4.717 1.00 92.19 C -3.433 -3.331 4.282 1.00 92.19 C -4.253 -2.395 4.476 1.00 92.19 O -2.387 -3.105 3.644 1.00 92.19 O1- -5.129 -7.246 0.819 1.00 91.25 N -5.047 -8.141 -0.336 1.00 91.25 C -5.881 -7.692 -1.544 1.00 91.25 C -5.975 -8.440 -2.517 1.00 91.25 O -5.375 -9.567 0.116 1.00 91.25 C -4.326 -10.089 1.053 1.00 91.25 C -3.110 -10.586 0.685 1.00 91.25 C -4.322 -9.986 2.421 1.00 91.25 N -3.136 -10.417 2.869 1.00 91.25 C -2.346 -10.772 1.835 1.00 91.25 N -6.440 -6.475 -1.512 1.00 90.65 N -7.263 -5.895 -2.584 1.00 90.65 C -8.516 -6.725 -2.938 1.00 90.65 C -9.079 -6.579 -4.024 1.00 90.65 O -6.392 -5.541 -3.809 1.00 90.65 C -5.323 -4.490 -3.562 1.00 90.65 C -5.526 -3.170 -4.004 1.00 90.65 C -4.122 -4.823 -2.905 1.00 90.65 C -4.552 -2.183 -3.772 1.00 90.65 C -3.147 -3.838 -2.671 1.00 90.65 C -3.362 -2.518 -3.104 1.00 90.65 C -8.999 -7.568 -2.019 1.00 91.53 N -10.240 -8.333 -2.183 1.00 91.53 C -11.426 -7.580 -1.561 1.00 91.53 C -12.045 -7.987 -0.577 1.00 91.53 O -10.068 -9.764 -1.672 1.00 91.53 C -11.266 -10.664 -2.012 1.00 91.53 C -12.277 -10.203 -2.603 1.00 91.53 O -11.208 -11.856 -1.636 1.00 91.53 O1- -11.751 -6.436 -2.164 1.00 91.32 N -12.815 -5.538 -1.695 1.00 91.32 C -14.212 -6.160 -1.757 1.00 91.32 C -15.147 -5.691 -1.108 1.00 91.32 O -12.805 -4.269 -2.552 1.00 91.32 C -11.440 -3.636 -2.687 1.00 91.32 C -10.757 -3.202 -1.537 1.00 91.32 C -10.831 -3.526 -3.949 1.00 91.32 C -9.484 -2.624 -1.648 1.00 91.32 C -9.555 -2.952 -4.057 1.00 91.32 C -8.888 -2.493 -2.912 1.00 91.32 C -14.391 -7.198 -2.572 1.00 89.81 N -15.640 -7.934 -2.599 1.00 89.81 C -15.795 -8.767 -1.318 1.00 89.81 C -16.864 -8.724 -0.715 1.00 89.81 O -15.684 -8.727 -3.902 1.00 89.81 C -14.724 -9.412 -0.840 1.00 92.23 N -14.748 -10.139 0.435 1.00 92.23 C -14.948 -9.198 1.624 1.00 92.23 C -15.699 -9.532 2.532 1.00 92.23 O -13.470 -10.960 0.594 1.00 92.23 C -13.445 -11.972 -0.406 1.00 92.23 O -14.391 -7.982 1.586 1.00 95.51 N -14.675 -6.962 2.603 1.00 95.51 C -16.178 -6.648 2.726 1.00 95.51 C -16.704 -6.565 3.832 1.00 95.51 O -13.921 -5.670 2.266 1.00 95.51 C -12.130 -5.945 2.210 1.00 95.51 S -16.878 -6.492 1.592 1.00 93.22 N -18.324 -6.202 1.563 1.00 93.22 C -19.167 -7.381 2.039 1.00 93.22 C -20.189 -7.172 2.677 1.00 93.22 O -18.754 -5.775 0.152 1.00 93.22 C -18.246 -4.364 -0.178 1.00 93.22 C -18.649 -3.914 -1.586 1.00 93.22 C -17.953 -4.700 -2.628 1.00 93.22 N -18.364 -4.865 -3.870 1.00 93.22 C -19.442 -4.285 -4.319 1.00 93.22 N1+ -17.700 -5.631 -4.694 1.00 93.22 N -18.734 -8.603 1.748 1.00 92.83 N -19.389 -9.819 2.240 1.00 92.83 C -19.282 -9.948 3.749 1.00 92.83 C -20.287 -10.191 4.402 1.00 92.83 O -18.736 -11.048 1.617 1.00 92.83 C -19.102 -11.128 0.144 1.00 92.83 C -18.302 -12.170 -0.600 1.00 92.83 C -18.515 -12.235 -1.826 1.00 92.83 O -17.326 -12.751 -0.072 1.00 92.83 O1- -18.086 -9.733 4.294 1.00 94.80 N -17.841 -9.795 5.735 1.00 94.80 C -18.632 -8.699 6.452 1.00 94.80 C -19.244 -8.964 7.477 1.00 94.80 O -16.324 -9.723 5.988 1.00 94.80 C -15.673 -11.018 5.460 1.00 94.80 C -15.991 -9.586 7.476 1.00 94.80 C -14.151 -10.961 5.438 1.00 94.80 C -18.715 -7.495 5.880 1.00 95.80 N -19.582 -6.438 6.406 1.00 95.80 C -21.078 -6.791 6.334 1.00 95.80 C -21.838 -6.495 7.252 1.00 95.80 O -19.302 -5.146 5.634 1.00 95.80 C -20.207 -3.999 6.035 1.00 95.80 C -21.086 -3.417 5.099 1.00 95.80 C -20.162 -3.505 7.352 1.00 95.80 C -21.895 -2.328 5.474 1.00 95.80 C -20.972 -2.419 7.723 1.00 95.80 C -21.835 -1.827 6.787 1.00 95.80 C -21.533 -7.423 5.251 1.00 93.14 N -22.922 -7.857 5.135 1.00 93.14 C -23.253 -8.974 6.139 1.00 93.14 C -24.307 -8.934 6.767 1.00 93.14 O -23.177 -8.271 3.685 1.00 93.14 C -22.331 -9.917 6.331 1.00 93.80 N -22.429 -10.973 7.331 1.00 93.80 C -22.454 -10.413 8.754 1.00 93.80 C -23.337 -10.776 9.517 1.00 93.80 O -21.249 -11.920 7.136 1.00 93.80 C -21.291 -13.071 8.141 1.00 93.80 C -20.111 -14.001 7.975 1.00 93.80 C -19.995 -14.961 8.846 1.00 93.80 N -19.302 -13.874 7.060 1.00 93.80 O -21.559 -9.477 9.079 1.00 95.09 N -21.527 -8.779 10.367 1.00 95.09 C -22.906 -8.219 10.743 1.00 95.09 C -23.369 -8.411 11.864 1.00 95.09 O -20.487 -7.657 10.258 1.00 95.09 C -20.346 -6.843 11.535 1.00 95.09 C -19.197 -5.459 11.368 1.00 95.09 S -19.288 -4.949 13.091 1.00 95.09 C -23.592 -7.589 9.779 1.00 92.04 N -24.955 -7.074 9.968 1.00 92.04 C -25.999 -8.184 10.103 1.00 92.04 C -26.880 -8.073 10.947 1.00 92.04 O -25.332 -6.138 8.817 1.00 92.04 C -24.504 -4.844 8.824 1.00 92.04 C -24.994 -3.858 7.761 1.00 92.04 C -24.809 -4.406 6.343 1.00 92.04 C -25.414 -3.482 5.357 1.00 92.04 N1+ -25.919 -9.232 9.281 1.00 90.64 N -26.855 -10.359 9.333 1.00 90.64 C -26.760 -11.149 10.648 1.00 90.64 C -27.767 -11.653 11.128 1.00 90.64 O -26.599 -11.271 8.128 1.00 90.64 C -25.568 -11.218 11.241 1.00 91.91 N -25.311 -11.852 12.539 1.00 91.91 C -25.550 -10.898 13.728 1.00 91.91 C -25.213 -11.225 14.861 1.00 91.91 O -23.896 -12.467 12.546 1.00 91.91 C -23.762 -13.619 11.531 1.00 91.91 C -22.406 -14.343 11.567 1.00 91.91 C -22.092 -15.063 10.590 1.00 91.91 O -21.631 -14.226 12.544 1.00 91.91 O1- -26.116 -9.705 13.499 1.00 90.29 N -26.498 -8.767 14.563 1.00 90.29 C -25.335 -8.029 15.236 1.00 90.29 C -25.542 -7.325 16.224 1.00 90.29 O -24.109 -8.139 14.716 1.00 94.25 N -22.959 -7.406 15.258 1.00 94.25 C -22.985 -5.953 14.779 1.00 94.25 C -22.941 -5.675 13.579 1.00 94.25 O -21.637 -8.074 14.878 1.00 94.25 C -20.463 -7.458 15.639 1.00 94.25 C -21.650 -9.435 15.223 1.00 94.25 O -23.032 -5.000 15.717 1.00 94.35 N -23.110 -3.566 15.397 1.00 94.35 C -21.784 -3.049 14.807 1.00 94.35 C -20.744 -3.222 15.446 1.00 94.35 O -23.514 -2.750 16.635 1.00 94.35 C -24.945 -3.064 17.104 1.00 94.35 C -25.343 -2.173 18.289 1.00 94.35 C -26.770 -2.497 18.752 1.00 94.35 C -27.186 -1.645 19.898 1.00 94.35 N1+ -21.783 -2.427 13.610 1.00 95.73 N -20.594 -1.778 13.059 1.00 95.73 C -20.216 -0.538 13.867 1.00 95.73 C -21.085 0.135 14.413 1.00 95.73 O -20.941 -1.460 11.605 1.00 95.73 C -22.453 -1.247 11.646 1.00 95.73 C -22.916 -2.240 12.713 1.00 95.73 C -18.922 -0.225 13.912 1.00 93.47 N -18.388 0.956 14.595 1.00 93.47 C -17.593 1.851 13.628 1.00 93.47 C -17.493 1.573 12.427 1.00 93.47 O -17.584 0.501 15.831 1.00 93.47 C -16.269 -0.205 15.537 1.00 93.47 C -15.530 -0.531 16.567 1.00 93.47 N -15.868 -0.440 14.402 1.00 93.47 O -17.013 2.939 14.140 1.00 92.56 N -16.262 3.914 13.331 1.00 92.56 C -15.085 3.261 12.597 1.00 92.56 C -14.831 3.569 11.431 1.00 92.56 O -15.791 5.074 14.224 1.00 92.56 C -15.113 6.200 13.452 1.00 92.56 C -16.909 5.619 14.881 1.00 92.56 O -14.410 2.281 13.215 1.00 92.97 N -13.333 1.506 12.574 1.00 92.97 C -13.862 0.729 11.358 1.00 92.97 C -13.212 0.738 10.307 1.00 92.97 O -12.634 0.568 13.589 1.00 92.97 C -12.018 1.379 14.754 1.00 92.97 C -11.556 -0.290 12.891 1.00 92.97 C -11.416 0.515 15.870 1.00 92.97 C -15.039 0.102 11.460 1.00 95.97 N -15.667 -0.635 10.350 1.00 95.97 C -15.862 0.263 9.130 1.00 95.97 C -15.414 -0.073 8.029 1.00 95.97 O -17.034 -1.227 10.751 1.00 95.97 C -17.541 -2.232 9.718 1.00 95.97 C -16.976 -1.914 11.976 1.00 95.97 O -16.476 1.435 9.314 1.00 97.13 N -16.728 2.370 8.214 1.00 97.13 C -15.439 2.990 7.669 1.00 97.13 C -15.286 3.085 6.451 1.00 97.13 O -17.741 3.434 8.643 1.00 97.13 C -19.143 2.878 8.793 1.00 97.13 C -19.877 2.503 7.651 1.00 97.13 C -19.712 2.715 10.067 1.00 97.13 C -21.169 1.965 7.784 1.00 97.13 C -21.009 2.189 10.200 1.00 97.13 C -21.738 1.812 9.061 1.00 97.13 C -14.461 3.301 8.522 1.00 94.70 N -13.144 3.769 8.087 1.00 94.70 C -12.414 2.743 7.207 1.00 94.70 C -11.825 3.102 6.183 1.00 94.70 O -12.316 4.134 9.336 1.00 94.70 C -12.605 5.542 9.820 1.00 94.70 C -12.364 5.844 11.074 1.00 94.70 N -12.938 6.398 9.028 1.00 94.70 O -12.477 1.454 7.555 1.00 95.88 N -11.929 0.382 6.722 1.00 95.88 C -12.650 0.287 5.372 1.00 95.88 C -11.992 0.128 4.341 1.00 95.88 O -12.014 -0.959 7.470 1.00 95.88 C -11.002 -1.128 8.615 1.00 95.88 C -11.346 -2.394 9.394 1.00 95.88 C -9.567 -1.265 8.092 1.00 95.88 C -13.978 0.412 5.357 1.00 97.65 N -14.782 0.382 4.134 1.00 97.65 C -14.511 1.592 3.232 1.00 97.65 C -14.224 1.404 2.053 1.00 97.65 O -16.268 0.271 4.502 1.00 97.65 C -16.670 -1.086 5.109 1.00 97.65 C -18.080 -0.966 5.674 1.00 97.65 C -16.627 -2.219 4.076 1.00 97.65 C -14.481 2.811 3.768 1.00 96.71 N -14.130 4.023 3.018 1.00 96.71 C -12.700 3.944 2.466 1.00 96.71 C -12.461 4.241 1.293 1.00 96.71 O -14.299 5.247 3.934 1.00 96.71 C -15.763 5.606 4.249 1.00 96.71 C -15.793 6.643 5.367 1.00 96.71 C -16.473 6.189 3.025 1.00 96.71 C -11.745 3.441 3.261 1.00 94.71 N -10.374 3.171 2.797 1.00 94.71 C -10.352 2.149 1.660 1.00 94.71 C -9.542 2.290 0.740 1.00 94.71 O -9.523 2.718 3.993 1.00 94.71 C -8.059 2.447 3.615 1.00 94.71 C -7.267 1.985 4.845 1.00 94.71 C -5.868 1.653 4.496 1.00 94.71 N -5.192 0.577 4.872 1.00 94.71 C -5.656 -0.300 5.706 1.00 94.71 N1+ -4.025 0.304 4.365 1.00 94.71 N -11.221 1.138 1.694 1.00 94.59 N -11.377 0.195 0.585 1.00 94.59 C -11.847 0.907 -0.679 1.00 94.59 C -11.286 0.635 -1.737 1.00 94.59 O -12.328 -0.958 0.952 1.00 94.59 C -11.772 -1.838 2.042 1.00 94.59 C -12.599 -2.567 2.751 1.00 94.59 N -10.575 -1.920 2.228 1.00 94.59 O -12.795 1.845 -0.578 1.00 93.76 N -13.241 2.646 -1.729 1.00 93.76 C -12.087 3.469 -2.304 1.00 93.76 C -11.881 3.431 -3.515 1.00 93.76 O -14.448 3.549 -1.401 1.00 93.76 C -14.995 4.182 -2.684 1.00 93.76 C -15.599 2.769 -0.772 1.00 93.76 C -11.261 4.116 -1.469 1.00 91.18 N -10.058 4.844 -1.933 1.00 91.18 C -9.077 3.911 -2.649 1.00 91.18 C -8.635 4.195 -3.758 1.00 91.18 O -9.325 5.564 -0.778 1.00 91.18 C -8.059 6.288 -1.264 1.00 91.18 C -10.201 6.618 -0.099 1.00 91.18 C -8.729 2.764 -2.051 1.00 90.08 N -7.812 1.800 -2.691 1.00 90.08 C -8.381 1.267 -4.010 1.00 90.08 C -7.636 1.036 -4.960 1.00 90.08 O -7.540 0.620 -1.753 1.00 90.08 C -6.653 0.920 -0.535 1.00 90.08 C -6.555 -0.374 0.289 1.00 90.08 C -5.599 -0.305 1.482 1.00 90.08 C -5.580 -1.618 2.186 1.00 90.08 N1+ -9.691 1.055 -4.052 1.00 86.18 N -10.405 0.494 -5.185 1.00 86.18 C -10.671 1.520 -6.304 1.00 86.18 C -10.797 1.112 -7.456 1.00 86.18 O -11.696 -0.124 -4.631 1.00 86.18 C -12.491 -0.827 -5.697 1.00 86.18 C -13.749 -0.466 -5.847 1.00 86.18 N -12.015 -1.692 -6.420 1.00 86.18 O -10.731 2.825 -6.012 1.00 81.27 N -10.931 3.883 -7.020 1.00 81.27 C -9.732 4.034 -7.961 1.00 81.27 C -9.881 4.476 -9.098 1.00 81.27 O -11.248 5.226 -6.349 1.00 81.27 C -10.098 5.755 -5.725 1.00 81.27 O -8.551 3.583 -7.531 1.00 74.36 N -7.358 3.492 -8.372 1.00 74.36 C -7.417 2.348 -9.410 1.00 74.36 C -6.535 2.254 -10.266 1.00 74.36 O -6.126 3.370 -7.460 1.00 74.36 C -5.896 4.560 -6.554 1.00 74.36 C -5.695 4.536 -5.199 1.00 74.36 C -5.795 5.877 -6.944 1.00 74.36 N -5.541 6.621 -5.854 1.00 74.36 C -5.425 5.842 -4.764 1.00 74.36 N -8.429 1.471 -9.359 1.00 72.13 N -8.618 0.342 -10.284 1.00 72.13 C -9.664 0.713 -11.349 1.00 72.13 C -10.717 1.257 -11.029 1.00 72.13 O -8.998 -0.944 -9.507 1.00 72.13 C -7.944 -1.261 -8.417 1.00 72.13 C -9.162 -2.136 -10.473 1.00 72.13 C -8.264 -2.494 -7.568 1.00 72.13 C -9.409 0.377 -12.627 1.00 65.23 N -10.349 0.619 -13.744 1.00 65.23 C -11.699 -0.067 -13.480 1.00 65.23 C -11.748 -1.292 -13.368 1.00 65.23 O -9.769 0.114 -15.083 1.00 65.23 C -8.530 0.884 -15.566 1.00 65.23 C -8.069 0.394 -16.951 1.00 65.23 C -6.799 1.037 -17.340 1.00 65.23 N -5.931 0.639 -18.257 1.00 65.23 C -6.167 -0.346 -19.077 1.00 65.23 N1+ -4.783 1.244 -18.335 1.00 65.23 N -12.794 0.700 -13.417 1.00 66.69 N -14.159 0.187 -13.203 1.00 66.69 C -15.216 0.925 -14.022 1.00 66.69 C -14.989 2.010 -14.541 1.00 66.69 O -14.514 0.223 -11.703 1.00 66.69 C -13.797 -0.890 -10.929 1.00 66.69 C -14.432 -1.108 -9.554 1.00 66.69 C -13.729 -2.291 -8.888 1.00 66.69 C -14.369 -2.663 -7.605 1.00 66.69 N1+ -16.387 0.291 -14.100 1.00 60.45 N -17.608 0.774 -14.761 1.00 60.45 C -18.399 1.782 -13.927 1.00 60.45 C -19.196 2.529 -14.488 1.00 60.45 O -18.546 -0.415 -15.032 1.00 60.45 C -18.000 -1.383 -16.076 1.00 60.45 C -18.720 -1.179 -13.856 1.00 60.45 O -18.214 1.781 -12.599 1.00 70.10 N -18.933 2.637 -11.651 1.00 70.10 C -17.986 3.583 -10.933 1.00 70.10 C -16.838 3.243 -10.648 1.00 70.10 O -19.739 1.818 -10.634 1.00 70.10 C -20.909 1.067 -11.285 1.00 70.10 C -21.828 0.497 -10.197 1.00 70.10 C -23.028 -0.232 -10.812 1.00 70.10 C -24.043 -0.566 -9.778 1.00 70.10 N1+ -18.521 4.755 -10.652 1.00 75.55 N -17.859 5.830 -9.946 1.00 75.55 C -17.850 5.564 -8.430 1.00 75.55 C -18.776 4.910 -7.951 1.00 75.55 O -18.649 7.079 -10.304 1.00 75.55 C -17.833 8.312 -10.257 1.00 75.55 C -16.855 8.651 -11.148 1.00 75.55 C -18.148 9.421 -9.533 1.00 75.55 N -17.484 10.439 -10.063 1.00 75.55 C -16.607 10.004 -10.990 1.00 75.55 N -16.835 6.020 -7.671 1.00 84.65 N -16.767 5.746 -6.235 1.00 84.65 C -17.793 6.542 -5.416 1.00 84.65 C -18.131 6.107 -4.322 1.00 84.65 O -15.330 6.084 -5.830 1.00 84.65 C -14.924 7.166 -6.828 1.00 84.65 C -15.652 6.753 -8.106 1.00 84.65 C -18.285 7.671 -5.934 1.00 88.78 N -19.122 8.636 -5.208 1.00 88.78 C -20.356 7.985 -4.550 1.00 88.78 C -20.527 8.102 -3.338 1.00 88.78 O -19.526 9.769 -6.170 1.00 88.78 C -18.359 10.606 -6.731 1.00 88.78 C -17.168 10.236 -6.566 1.00 88.78 O -18.631 11.483 -7.576 1.00 88.78 O1- -21.138 7.199 -5.301 1.00 89.22 N -22.313 6.485 -4.769 1.00 89.22 C -21.945 5.529 -3.621 1.00 89.22 C -22.698 5.367 -2.663 1.00 89.22 O -22.975 5.634 -5.871 1.00 89.22 C -23.462 6.397 -7.103 1.00 89.22 C -23.716 7.611 -6.990 1.00 89.22 O -23.526 5.740 -8.171 1.00 89.22 O1- -20.778 4.881 -3.707 1.00 91.55 N -20.303 3.934 -2.693 1.00 91.55 C -19.872 4.667 -1.411 1.00 91.55 C -20.140 4.189 -0.307 1.00 91.55 O -19.184 3.047 -3.292 1.00 91.55 C -18.861 1.845 -2.389 1.00 91.55 C -17.809 0.845 -2.923 1.00 91.55 C -17.717 -0.264 -2.330 1.00 91.55 O -17.079 1.133 -3.904 1.00 91.55 O1- -19.262 5.849 -1.541 1.00 95.15 N -18.906 6.712 -0.402 1.00 95.15 C -20.162 7.208 0.308 1.00 95.15 C -20.283 7.034 1.522 1.00 95.15 O -18.039 7.905 -0.850 1.00 95.15 C -17.690 8.841 0.314 1.00 95.15 C -16.720 7.419 -1.453 1.00 95.15 C -21.117 7.768 -0.443 1.00 96.66 N -22.378 8.263 0.114 1.00 96.66 C -23.184 7.130 0.756 1.00 96.66 C -23.754 7.319 1.828 1.00 96.66 O -23.209 8.956 -0.979 1.00 96.66 C -22.575 10.220 -1.589 1.00 96.66 C -23.482 10.750 -2.695 1.00 96.66 C -22.342 11.334 -0.569 1.00 96.66 C -23.185 5.935 0.158 1.00 95.18 N -23.805 4.751 0.751 1.00 95.18 C -23.230 4.431 2.137 1.00 95.18 C -23.998 4.223 3.079 1.00 95.18 O -23.643 3.554 -0.195 1.00 95.18 C -24.032 2.232 0.435 1.00 95.18 C -23.046 1.399 0.998 1.00 95.18 C -25.387 1.863 0.512 1.00 95.18 C -23.415 0.201 1.634 1.00 95.18 C -25.756 0.663 1.142 1.00 95.18 C -24.770 -0.169 1.703 1.00 95.18 C -21.901 4.406 2.292 1.00 97.04 N -21.296 4.106 3.592 1.00 97.04 C -21.546 5.208 4.622 1.00 97.04 C -21.807 4.873 5.772 1.00 97.04 O -19.799 3.801 3.460 1.00 97.04 C -19.472 2.484 2.774 1.00 97.04 C -20.057 1.273 3.205 1.00 97.04 C -18.556 2.470 1.708 1.00 97.04 C -19.772 0.066 2.532 1.00 97.04 C -18.258 1.265 1.049 1.00 97.04 C -18.888 0.070 1.432 1.00 97.04 C -18.638 -1.055 0.710 1.00 97.04 O -21.548 6.485 4.233 1.00 97.66 N -21.854 7.587 5.155 1.00 97.66 C -23.332 7.619 5.571 1.00 97.66 C -23.635 7.787 6.749 1.00 97.66 O -21.441 8.917 4.520 1.00 97.66 C -19.928 9.110 4.350 1.00 97.66 C -19.705 10.435 3.637 1.00 97.66 C -19.170 9.151 5.678 1.00 97.66 C -24.268 7.360 4.650 1.00 97.54 N -25.690 7.175 4.997 1.00 97.54 C -25.871 5.969 5.916 1.00 97.54 C -26.596 6.043 6.901 1.00 97.54 O -26.544 7.025 3.727 1.00 97.54 C -26.662 8.341 2.941 1.00 97.54 C -27.410 8.141 1.614 1.00 97.54 C -27.307 9.324 0.726 1.00 97.54 N -28.053 10.418 0.726 1.00 97.54 C -29.010 10.592 1.598 1.00 97.54 N1+ -27.865 11.379 -0.138 1.00 97.54 N -25.173 4.866 5.637 1.00 95.89 N -25.172 3.700 6.522 1.00 95.89 C -24.613 4.048 7.902 1.00 95.89 C -25.159 3.583 8.892 1.00 95.89 O -24.382 2.548 5.898 1.00 95.89 C -24.490 1.375 6.693 1.00 95.89 O -23.560 4.853 7.986 1.00 95.88 N -22.953 5.294 9.240 1.00 95.88 C -23.931 6.128 10.081 1.00 95.88 C -24.174 5.778 11.236 1.00 95.88 O -21.672 6.030 8.852 1.00 95.88 C -20.833 6.494 10.017 1.00 95.88 C -19.195 6.974 9.445 1.00 95.88 S -18.586 7.461 11.047 1.00 95.88 C -24.607 7.106 9.460 1.00 95.23 N -25.707 7.877 10.065 1.00 95.23 C -26.828 6.972 10.579 1.00 95.23 C -27.235 7.086 11.728 1.00 95.23 O -26.241 8.892 9.036 1.00 95.23 C -27.307 9.823 9.632 1.00 95.23 C -27.769 10.865 8.604 1.00 95.23 C -28.863 11.691 9.147 1.00 95.23 N -29.475 12.688 8.531 1.00 95.23 C -29.118 13.122 7.360 1.00 95.23 N1+ -30.472 13.299 9.105 1.00 95.23 N -27.290 6.032 9.752 1.00 95.10 N -28.395 5.131 10.102 1.00 95.10 C -28.066 4.187 11.269 1.00 95.10 C -28.974 3.737 11.957 1.00 95.10 O -28.785 4.301 8.867 1.00 95.10 C -29.443 5.102 7.760 1.00 95.10 C -29.716 4.471 6.641 1.00 95.10 N -29.739 6.276 7.862 1.00 95.10 O -26.787 3.864 11.480 1.00 93.17 N -26.349 3.047 12.617 1.00 93.17 C -25.969 3.898 13.842 1.00 93.17 C -25.526 3.332 14.838 1.00 93.17 O -25.216 2.096 12.188 1.00 93.17 C -25.643 1.020 11.217 1.00 93.17 C -25.793 -0.320 11.457 1.00 93.17 C -25.945 1.215 9.898 1.00 93.17 N -26.259 0.039 9.344 1.00 93.17 C -26.151 -0.943 10.249 1.00 93.17 N -26.116 5.229 13.780 1.00 91.71 N -25.730 6.139 14.862 1.00 91.71 C -24.226 6.136 15.149 1.00 91.71 C -23.820 6.280 16.297 1.00 91.71 O -23.392 5.903 14.131 1.00 92.43 N -21.934 5.822 14.288 1.00 92.43 C -21.296 7.159 13.925 1.00 92.43 C -21.536 7.686 12.841 1.00 92.43 O -21.354 4.664 13.463 1.00 92.43 C -19.837 4.561 13.626 1.00 92.43 C -21.932 3.317 13.906 1.00 92.43 C -20.443 7.684 14.806 1.00 91.79 N -19.851 9.009 14.630 1.00 91.79 C -18.573 9.019 13.782 1.00 91.79 C -17.733 8.115 13.862 1.00 91.79 O -19.626 9.689 15.982 1.00 91.79 C -20.900 9.916 16.769 1.00 91.79 C -21.851 10.854 16.321 1.00 91.79 C -21.136 9.200 17.957 1.00 91.79 C -23.028 11.076 17.053 1.00 91.79 C -22.313 9.425 18.692 1.00 91.79 C -23.259 10.361 18.240 1.00 91.79 C -18.436 10.064 12.966 1.00 91.57 N -17.316 10.342 12.084 1.00 91.57 C -16.185 10.991 12.869 1.00 91.57 C -16.353 12.018 13.519 1.00 91.57 O -17.791 11.198 10.901 1.00 91.57 C -15.009 10.382 12.776 1.00 87.22 N -13.795 10.857 13.423 1.00 87.22 C -12.850 11.533 12.420 1.00 87.22 C -13.068 11.557 11.204 1.00 87.22 O -13.130 9.688 14.174 1.00 87.22 C -12.433 8.666 13.265 1.00 87.22 C -12.716 8.604 12.043 1.00 87.22 O -11.500 7.995 13.749 1.00 87.22 O1- -11.719 12.034 12.919 1.00 86.36 N -10.688 12.661 12.079 1.00 86.36 C -10.176 11.731 10.966 1.00 86.36 C -9.755 12.210 9.912 1.00 86.36 O -9.544 13.176 12.974 1.00 86.36 C -8.631 12.052 13.491 1.00 86.36 C -8.691 14.234 12.268 1.00 86.36 C -10.199 10.406 11.165 1.00 89.29 N -9.788 9.415 10.158 1.00 89.29 C -10.837 9.324 9.046 1.00 89.29 C -10.454 9.288 7.871 1.00 89.29 O -9.529 8.035 10.809 1.00 89.29 C -8.429 8.140 11.891 1.00 89.29 C -9.149 6.988 9.740 1.00 89.29 C -8.189 6.846 12.679 1.00 89.29 C -12.122 9.361 9.396 1.00 92.03 N -13.255 9.385 8.458 1.00 92.03 C -13.133 10.601 7.548 1.00 92.03 C -13.005 10.465 6.328 1.00 92.03 O -14.606 9.415 9.202 1.00 92.03 C -15.768 9.145 8.247 1.00 92.03 C -14.690 8.440 10.218 1.00 92.03 O -13.017 11.788 8.150 1.00 93.21 N -12.830 13.049 7.434 1.00 93.21 C -11.552 13.058 6.580 1.00 93.21 C -11.569 13.492 5.427 1.00 93.21 O -12.814 14.194 8.450 1.00 93.21 C -14.160 14.619 8.956 1.00 93.21 C -14.889 14.036 9.942 1.00 93.21 C -14.946 15.772 8.524 1.00 93.21 C -16.125 15.845 9.323 1.00 93.21 C -14.773 16.775 7.545 1.00 93.21 C -16.039 14.766 10.167 1.00 93.21 N -17.077 16.859 9.170 1.00 93.21 C -15.731 17.793 7.372 1.00 93.21 C -16.879 17.838 8.183 1.00 93.21 C -10.439 12.523 7.088 1.00 91.87 N -9.193 12.419 6.307 1.00 91.87 C -9.350 11.483 5.110 1.00 91.87 C -8.841 11.763 4.025 1.00 91.87 O -8.025 11.938 7.181 1.00 91.87 C -6.710 11.825 6.407 1.00 91.87 C -7.783 12.834 8.239 1.00 91.87 O -10.057 10.367 5.278 1.00 93.81 N -10.274 9.397 4.201 1.00 93.81 C -11.157 9.996 3.111 1.00 93.81 C -10.790 9.912 1.936 1.00 93.81 O -10.856 8.087 4.748 1.00 93.81 C -10.960 7.009 3.670 1.00 93.81 C -9.982 7.584 5.735 1.00 93.81 O -12.243 10.674 3.494 1.00 96.36 N -13.191 11.298 2.573 1.00 96.36 C -12.583 12.423 1.717 1.00 96.36 C -12.966 12.573 0.557 1.00 96.36 O -14.411 11.771 3.368 1.00 96.36 C -15.415 10.332 3.825 1.00 96.36 S -11.560 13.131 2.211 1.00 94.98 N -10.837 14.139 1.422 1.00 94.98 C -10.267 13.583 0.099 1.00 94.98 C -10.180 14.302 -0.895 1.00 94.98 O -9.711 14.738 2.277 1.00 94.98 C -9.035 15.936 1.633 1.00 94.98 C -7.994 15.757 0.700 1.00 94.98 C -9.496 17.233 1.922 1.00 94.98 C -7.424 16.872 0.060 1.00 94.98 C -8.923 18.352 1.291 1.00 94.98 C -7.880 18.169 0.362 1.00 94.98 C -7.304 19.237 -0.240 1.00 94.98 O -9.913 12.289 0.041 1.00 94.12 N -9.368 11.662 -1.176 1.00 94.12 C -10.367 11.611 -2.347 1.00 94.12 C -9.955 11.329 -3.471 1.00 94.12 O -8.860 10.239 -0.875 1.00 94.12 C -7.675 10.203 0.065 1.00 94.12 C -7.925 10.018 1.338 1.00 94.12 N -6.520 10.331 -0.329 1.00 94.12 O -11.661 11.848 -2.111 1.00 92.23 N -12.684 11.838 -3.162 1.00 92.23 C -12.918 13.221 -3.795 1.00 92.23 C -13.629 13.320 -4.797 1.00 92.23 O -13.970 11.206 -2.612 1.00 92.23 C -13.764 9.818 -2.029 1.00 92.23 C -13.380 8.746 -2.857 1.00 92.23 C -13.947 9.601 -0.653 1.00 92.23 C -13.168 7.469 -2.306 1.00 92.23 C -13.723 8.331 -0.095 1.00 92.23 C -13.340 7.265 -0.925 1.00 92.23 C -12.293 14.278 -3.260 1.00 92.09 N -12.430 15.651 -3.752 1.00 92.09 C -11.561 15.905 -4.991 1.00 92.09 C -10.359 15.609 -5.017 1.00 92.09 O -12.070 16.656 -2.649 1.00 92.09 C -12.825 16.474 -1.324 1.00 92.09 C -12.306 17.508 -0.336 1.00 92.09 C -14.335 16.643 -1.474 1.00 92.09 C -12.164 16.514 -6.014 1.00 85.45 N -11.570 16.627 -7.360 1.00 85.45 C -11.168 18.037 -7.741 1.00 85.45 C -10.175 18.202 -8.439 1.00 85.45 O -12.573 16.117 -8.390 1.00 85.45 C -12.852 14.627 -8.199 1.00 85.45 C -14.223 14.332 -8.775 1.00 85.45 C -14.654 13.011 -8.329 1.00 85.45 N -14.961 12.001 -9.087 1.00 85.45 C -14.964 12.128 -10.389 1.00 85.45 N1+ -15.263 10.868 -8.531 1.00 85.45 N -11.940 19.023 -7.306 1.00 87.37 N -11.717 20.424 -7.628 1.00 87.37 C -11.218 21.214 -6.412 1.00 87.37 C -11.447 20.855 -5.255 1.00 87.37 O -12.980 21.020 -8.261 1.00 87.37 C -14.121 21.131 -7.258 1.00 87.37 C -14.244 22.220 -6.661 1.00 87.37 O -14.836 20.121 -7.052 1.00 87.37 O1- -10.507 22.304 -6.690 1.00 87.45 N -9.873 23.131 -5.663 1.00 87.45 C -10.889 23.872 -4.782 1.00 87.45 C -10.596 24.121 -3.614 1.00 87.45 O -8.915 24.130 -6.335 1.00 87.45 C -7.655 23.472 -6.925 1.00 87.45 C -6.746 22.872 -5.838 1.00 87.45 C -6.538 21.634 -5.818 1.00 87.45 O -6.287 23.642 -4.963 1.00 87.45 O1- -12.079 24.206 -5.300 1.00 89.88 N -13.128 24.889 -4.521 1.00 89.88 C -13.692 23.940 -3.468 1.00 89.88 C -13.720 24.279 -2.286 1.00 89.88 O -14.245 25.440 -5.433 1.00 89.88 C -15.386 26.077 -4.631 1.00 89.88 C -13.684 26.499 -6.391 1.00 89.88 C -14.046 22.721 -3.872 1.00 92.90 N -14.496 21.651 -2.979 1.00 92.90 C -13.459 21.325 -1.902 1.00 92.90 C -13.807 21.162 -0.735 1.00 92.90 O -14.786 20.403 -3.815 1.00 92.90 C -15.893 20.642 -4.659 1.00 92.90 O -12.167 21.292 -2.257 1.00 93.72 N -11.066 21.076 -1.298 1.00 93.72 C -10.936 22.195 -0.272 1.00 93.72 C -10.716 21.901 0.900 1.00 93.72 O -9.748 20.923 -2.056 1.00 93.72 C -9.668 19.566 -2.753 1.00 93.72 C -8.426 19.536 -3.636 1.00 93.72 C -8.348 18.267 -4.367 1.00 93.72 N -7.422 17.963 -5.245 1.00 93.72 C -6.516 18.810 -5.650 1.00 93.72 N1+ -7.400 16.756 -5.728 1.00 93.72 N -11.061 23.449 -0.701 1.00 91.96 N -11.038 24.610 0.194 1.00 91.96 C -12.224 24.581 1.154 1.00 91.96 C -12.023 24.649 2.364 1.00 91.96 O -11.043 25.907 -0.629 1.00 91.96 C -9.663 26.167 -1.233 1.00 91.96 C -9.679 27.222 -2.331 1.00 91.96 C -9.278 26.851 -3.523 1.00 91.96 N -9.967 28.394 -2.136 1.00 91.96 O -13.437 24.398 0.623 1.00 92.37 N -14.653 24.290 1.426 1.00 92.37 C -14.527 23.177 2.472 1.00 92.37 C -14.814 23.391 3.644 1.00 92.37 O -15.843 24.052 0.479 1.00 92.37 C -17.193 23.889 1.202 1.00 92.37 C -17.579 25.136 1.997 1.00 92.37 C -18.286 23.598 0.174 1.00 92.37 C -14.022 22.012 2.069 1.00 94.70 N -13.850 20.881 2.972 1.00 94.70 C -12.871 21.162 4.117 1.00 94.70 C -13.133 20.773 5.251 1.00 94.70 O -13.391 19.679 2.151 1.00 94.70 C -13.507 18.365 2.884 1.00 94.70 C -12.534 17.977 3.826 1.00 94.70 C -14.599 17.525 2.599 1.00 94.70 C -12.632 16.726 4.458 1.00 94.70 C -14.714 16.287 3.244 1.00 94.70 C -13.727 15.887 4.162 1.00 94.70 C -13.812 14.663 4.718 1.00 94.70 O -11.744 21.833 3.845 1.00 91.49 N -10.768 22.203 4.886 1.00 91.49 C -11.404 23.146 5.910 1.00 91.49 C -11.195 22.957 7.108 1.00 91.49 O -9.501 22.826 4.255 1.00 91.49 C -8.690 21.734 3.528 1.00 91.49 C -8.602 23.513 5.303 1.00 91.49 C -7.608 22.291 2.597 1.00 91.49 C -12.184 24.129 5.448 1.00 90.23 N -12.897 25.069 6.326 1.00 90.23 C -13.880 24.316 7.221 1.00 90.23 C -13.771 24.404 8.440 1.00 90.23 O -13.597 26.171 5.506 1.00 90.23 C -14.465 27.084 6.374 1.00 90.23 C -12.561 27.057 4.800 1.00 90.23 C -14.752 23.494 6.631 1.00 91.20 N -15.762 22.727 7.368 1.00 91.20 C -15.136 21.739 8.362 1.00 91.20 C -15.556 21.651 9.512 1.00 91.20 O -16.654 21.987 6.360 1.00 91.20 C -17.524 22.938 5.520 1.00 91.20 C -18.521 23.694 6.384 1.00 91.20 C -18.380 24.990 6.538 1.00 91.20 N -19.416 23.104 6.947 1.00 91.20 O -14.072 21.033 7.969 1.00 89.20 N -13.358 20.143 8.886 1.00 89.20 C -12.760 20.913 10.074 1.00 89.20 C -12.784 20.417 11.199 1.00 89.20 O -12.266 19.394 8.114 1.00 89.20 C -11.588 18.340 8.993 1.00 89.20 C -10.266 17.426 8.160 1.00 89.20 S -9.608 16.492 9.561 1.00 89.20 C -12.225 22.115 9.833 1.00 84.92 N -11.684 22.979 10.881 1.00 84.92 C -12.750 23.472 11.859 1.00 84.92 C -12.507 23.460 13.062 1.00 84.92 O -13.923 23.850 11.353 1.00 86.09 N -15.063 24.312 12.156 1.00 86.09 C -15.650 23.196 13.032 1.00 86.09 C -15.946 23.435 14.200 1.00 86.09 O -16.135 24.901 11.218 1.00 86.09 C -15.690 26.262 10.653 1.00 86.09 C -16.594 26.831 9.547 1.00 86.09 C -16.288 27.968 9.115 1.00 86.09 O -17.509 26.128 9.063 1.00 86.09 O1- -15.757 21.971 12.506 1.00 85.57 N -16.418 20.864 13.207 1.00 85.57 C -15.486 19.992 14.062 1.00 85.57 C -15.909 19.504 15.106 1.00 85.57 O -17.197 20.026 12.186 1.00 85.57 C -18.445 20.725 11.711 1.00 85.57 C -18.629 21.404 10.535 1.00 85.57 C -19.621 20.823 12.419 1.00 85.57 N -20.487 21.545 11.690 1.00 85.57 C -19.930 21.908 10.529 1.00 85.57 N -14.226 19.774 13.663 1.00 81.90 N -13.284 18.944 14.438 1.00 81.90 C -12.294 19.760 15.278 1.00 81.90 C -11.633 19.207 16.161 1.00 81.90 O -12.532 17.976 13.508 1.00 81.90 C -13.410 16.953 12.764 1.00 81.90 C -12.479 16.052 11.955 1.00 81.90 C -14.209 16.051 13.706 1.00 81.90 C -12.118 21.051 14.979 1.00 70.58 N -11.223 21.960 15.706 1.00 70.58 C -9.726 21.624 15.633 1.00 70.58 C -8.905 22.371 16.162 1.00 70.58 O -9.326 20.514 15.001 1.00 71.51 N -7.926 20.120 14.886 1.00 71.51 C -7.610 19.358 13.593 1.00 71.51 C -8.397 18.557 13.091 1.00 71.51 O -7.488 19.339 16.141 1.00 71.51 C -8.084 17.944 16.263 1.00 71.51 C -9.030 17.748 17.147 1.00 71.51 N -7.633 17.001 15.630 1.00 71.51 O -6.389 19.568 13.099 1.00 77.42 N -5.817 18.818 11.987 1.00 77.42 C -4.659 17.955 12.482 1.00 77.42 C -3.824 18.383 13.281 1.00 77.42 O -5.370 19.772 10.876 1.00 77.42 C -6.480 20.660 10.355 1.00 77.42 C -7.444 20.141 9.470 1.00 77.42 C -6.589 21.990 10.805 1.00 77.42 C -8.485 20.957 8.999 1.00 77.42 C -7.656 22.789 10.368 1.00 77.42 C -8.591 22.281 9.448 1.00 77.42 C -4.573 16.723 11.983 1.00 75.81 N -3.438 15.848 12.253 1.00 75.81 C -2.486 15.774 11.043 1.00 75.81 C -2.822 16.150 9.920 1.00 75.81 O -3.954 14.499 12.797 1.00 75.81 C -4.611 13.615 11.754 1.00 75.81 C -5.567 12.803 12.127 1.00 75.81 N -4.219 13.576 10.605 1.00 75.81 O -1.284 15.237 11.264 1.00 80.19 N -0.238 15.130 10.230 1.00 80.19 C -0.674 14.257 9.040 1.00 80.19 C -0.251 14.499 7.910 1.00 80.19 O 1.064 14.588 10.858 1.00 80.19 C 2.223 14.545 9.857 1.00 80.19 C 1.524 15.442 12.048 1.00 80.19 C -1.552 13.267 9.258 1.00 84.46 N -2.084 12.430 8.176 1.00 84.46 C -3.040 13.210 7.266 1.00 84.46 C -3.043 12.964 6.059 1.00 84.46 O -2.800 11.189 8.736 1.00 84.46 C -1.877 10.176 9.382 1.00 84.46 C -2.240 9.685 10.543 1.00 84.46 N -0.863 9.761 8.834 1.00 84.46 O -3.820 14.145 7.812 1.00 88.28 N -4.668 15.026 7.016 1.00 88.28 C -3.821 15.926 6.120 1.00 88.28 C -4.013 15.921 4.909 1.00 88.28 O -5.594 15.853 7.909 1.00 88.28 C -6.502 16.735 7.079 1.00 88.28 C -6.286 18.124 7.004 1.00 88.28 C -7.534 16.147 6.328 1.00 88.28 C -7.134 18.924 6.219 1.00 88.28 C -8.362 16.942 5.519 1.00 88.28 C -8.173 18.333 5.479 1.00 88.28 C -2.806 16.591 6.682 1.00 87.82 N -1.869 17.423 5.905 1.00 87.82 C -1.207 16.608 4.794 1.00 87.82 C -1.222 17.022 3.639 1.00 87.82 O -0.807 18.064 6.816 1.00 87.82 C 0.234 18.845 6.000 1.00 87.82 C -1.484 19.003 7.821 1.00 87.82 C -0.702 15.409 5.103 1.00 89.94 N -0.180 14.496 4.081 1.00 89.94 C -1.215 14.197 2.985 1.00 89.94 C -0.878 14.197 1.804 1.00 89.94 O 0.283 13.192 4.744 1.00 89.94 C 0.554 12.078 3.751 1.00 89.94 C -0.399 11.058 3.551 1.00 89.94 C 1.721 12.112 2.965 1.00 89.94 C -0.166 10.055 2.590 1.00 89.94 C 1.951 11.118 1.996 1.00 89.94 C 1.016 10.079 1.819 1.00 89.94 C 1.254 9.089 0.919 1.00 89.94 O -2.473 13.964 3.359 1.00 92.40 N -3.554 13.652 2.415 1.00 92.40 C -3.887 14.847 1.517 1.00 92.40 C -4.059 14.651 0.314 1.00 92.40 O -4.797 13.142 3.158 1.00 92.40 C -5.885 12.672 2.202 1.00 92.40 C -4.436 12.018 3.935 1.00 92.40 O -3.891 16.073 2.051 1.00 92.68 N -4.036 17.309 1.260 1.00 92.68 C -2.888 17.437 0.261 1.00 92.68 C -3.119 17.515 -0.946 1.00 92.68 O -4.129 18.559 2.162 1.00 92.68 C -4.169 19.844 1.320 1.00 92.68 C -5.377 18.528 3.053 1.00 92.68 C -1.644 17.360 0.743 1.00 91.76 N -0.449 17.489 -0.097 1.00 91.76 C -0.354 16.389 -1.163 1.00 91.76 C 0.173 16.629 -2.247 1.00 91.76 O 0.813 17.474 0.785 1.00 91.76 C 0.962 18.646 1.775 1.00 91.76 C 2.272 18.485 2.547 1.00 91.76 C 0.955 20.006 1.086 1.00 91.76 C -0.847 15.179 -0.878 1.00 92.59 N -0.855 14.050 -1.818 1.00 92.59 C -1.865 14.235 -2.951 1.00 92.59 C -1.576 13.817 -4.066 1.00 92.59 O -1.128 12.756 -1.033 1.00 92.59 C -1.146 11.505 -1.925 1.00 92.59 C -1.505 10.268 -1.100 1.00 92.59 C -1.580 9.064 -1.953 1.00 92.59 N -2.594 8.220 -2.059 1.00 92.59 C -3.676 8.322 -1.337 1.00 92.59 N1+ -2.554 7.250 -2.931 1.00 92.59 N -3.042 14.798 -2.671 1.00 90.02 N -4.135 14.876 -3.649 1.00 90.02 C -4.055 16.102 -4.576 1.00 90.02 C -4.667 16.081 -5.646 1.00 90.02 O -5.484 14.796 -2.915 1.00 90.02 C -5.843 13.375 -2.521 1.00 90.02 C -5.692 13.014 -1.271 1.00 90.02 N -6.222 12.556 -3.337 1.00 90.02 O -3.332 17.159 -4.201 1.00 86.57 N -3.143 18.324 -5.072 1.00 86.57 C -1.951 18.214 -6.015 1.00 86.57 C -1.021 17.450 -5.776 1.00 86.57 O -1.963 18.994 -7.092 1.00 84.64 N -0.843 19.084 -8.035 1.00 84.64 C 0.105 20.223 -7.635 1.00 84.64 C 0.221 21.251 -8.295 1.00 84.64 O -1.354 19.164 -9.480 1.00 84.64 C -0.254 18.831 -10.496 1.00 84.64 C 0.760 18.219 -10.077 1.00 84.64 O -0.497 19.076 -11.697 1.00 84.64 O1- 0.694 20.086 -6.446 1.00 89.71 N 1.559 21.103 -5.853 1.00 89.71 C 3.027 20.839 -6.176 1.00 89.71 C 3.465 19.686 -6.184 1.00 89.71 O 1.335 21.152 -4.338 1.00 89.71 C -0.118 21.288 -3.920 1.00 89.71 C -0.917 22.319 -4.455 1.00 89.71 C -0.678 20.360 -3.021 1.00 89.71 C -2.285 22.398 -4.131 1.00 89.71 C -2.033 20.468 -2.654 1.00 89.71 C -2.846 21.462 -3.240 1.00 89.71 C -4.183 21.450 -3.015 1.00 89.71 O 3.815 21.900 -6.358 1.00 88.84 N 5.267 21.752 -6.492 1.00 88.84 C 5.858 21.253 -5.178 1.00 88.84 C 5.359 21.594 -4.098 1.00 88.84 O 5.924 23.064 -6.936 1.00 88.84 C 5.304 23.621 -8.231 1.00 88.84 C 5.993 24.910 -8.688 1.00 88.84 C 5.902 25.960 -7.655 1.00 88.84 N 6.865 26.800 -7.330 1.00 88.84 C 7.943 26.963 -8.042 1.00 88.84 N1+ 6.819 27.445 -6.207 1.00 88.84 N 6.945 20.494 -5.249 1.00 88.46 N 7.671 20.042 -4.065 1.00 88.46 C 8.056 21.217 -3.150 1.00 88.46 C 7.923 21.121 -1.929 1.00 88.46 O 8.918 19.294 -4.525 1.00 88.46 C 8.458 22.340 -3.749 1.00 85.49 N 8.773 23.594 -3.060 1.00 85.49 C 7.590 24.106 -2.220 1.00 85.49 C 7.755 24.445 -1.048 1.00 85.49 O 9.161 24.631 -4.127 1.00 85.49 C 9.826 25.880 -3.534 1.00 85.49 C 9.809 27.077 -4.499 1.00 85.49 C 9.829 28.213 -3.979 1.00 85.49 O 9.554 26.918 -5.713 1.00 85.49 O1- 6.381 24.110 -2.784 1.00 87.44 N 5.183 24.605 -2.102 1.00 87.44 C 4.779 23.669 -0.951 1.00 87.44 C 4.416 24.132 0.134 1.00 87.44 O 4.038 24.795 -3.112 1.00 87.44 C 4.386 25.760 -4.256 1.00 87.44 C 5.031 26.805 -4.006 1.00 87.44 O 4.033 25.452 -5.417 1.00 87.44 O1- 4.922 22.350 -1.135 1.00 87.13 N 4.744 21.378 -0.054 1.00 87.13 C 5.736 21.618 1.095 1.00 87.13 C 5.332 21.643 2.258 1.00 87.13 O 4.906 19.948 -0.593 1.00 87.13 C 3.615 19.523 -1.795 1.00 87.13 S 7.022 21.819 0.786 1.00 83.72 N 8.061 22.077 1.787 1.00 83.72 C 7.815 23.395 2.535 1.00 83.72 C 7.959 23.428 3.757 1.00 83.72 O 9.444 22.072 1.111 1.00 83.72 C 9.942 20.680 0.678 1.00 83.72 C 11.194 20.830 -0.186 1.00 83.72 C 10.293 19.791 1.875 1.00 83.72 C 7.372 24.451 1.839 1.00 83.86 N 6.994 25.733 2.459 1.00 83.86 C 5.864 25.567 3.471 1.00 83.86 C 5.971 26.093 4.574 1.00 83.86 O 6.587 26.756 1.386 1.00 83.86 C 7.792 27.352 0.646 1.00 83.86 C 7.327 28.303 -0.468 1.00 83.86 C 8.541 28.814 -1.249 1.00 83.86 C 8.170 29.590 -2.456 1.00 83.86 N1+ 4.813 24.815 3.134 1.00 82.87 N 3.691 24.553 4.057 1.00 82.87 C 4.162 23.803 5.302 1.00 82.87 C 3.759 24.148 6.411 1.00 82.87 O 2.563 23.784 3.341 1.00 82.87 C 1.470 23.274 4.292 1.00 82.87 C 1.877 24.696 2.319 1.00 82.87 C 5.034 22.806 5.145 1.00 80.92 N 5.562 22.037 6.277 1.00 80.92 C 6.460 22.884 7.180 1.00 80.92 C 6.356 22.780 8.400 1.00 80.92 O 6.322 20.813 5.750 1.00 80.92 C 5.417 19.826 4.999 1.00 80.92 C 6.285 18.846 4.214 1.00 80.92 C 4.473 19.078 5.944 1.00 80.92 C 7.296 23.738 6.586 1.00 77.16 N 8.182 24.634 7.319 1.00 77.16 C 7.413 25.744 8.052 1.00 77.16 C 7.696 26.010 9.214 1.00 77.16 O 9.207 25.210 6.336 1.00 77.16 C 6.427 26.367 7.399 1.00 73.39 N 5.686 27.500 7.956 1.00 73.39 C 4.771 27.120 9.131 1.00 73.39 C 4.532 27.943 10.005 1.00 73.39 O 4.873 28.145 6.827 1.00 73.39 C 4.259 25.887 9.154 1.00 69.00 N 3.327 25.417 10.187 1.00 69.00 C 4.010 24.545 11.258 1.00 69.00 C 3.325 23.853 12.010 1.00 69.00 O 2.138 24.715 9.508 1.00 69.00 C 1.325 25.644 8.627 1.00 69.00 C 1.538 25.623 7.332 1.00 69.00 N 0.467 26.374 9.079 1.00 69.00 O 5.349 24.518 11.285 1.00 67.54 N 6.174 23.751 12.233 1.00 67.54 C 5.750 22.285 12.412 1.00 67.54 C 5.857 21.711 13.494 1.00 67.54 O 6.281 24.478 13.574 1.00 67.54 C 6.670 25.826 13.393 1.00 67.54 O 5.231 21.656 11.355 1.00 69.89 N 4.687 20.305 11.446 1.00 69.89 C 5.824 19.279 11.476 1.00 69.89 C 6.739 19.362 10.651 1.00 69.89 O 3.737 20.029 10.273 1.00 69.89 C 2.463 20.888 10.279 1.00 69.89 C 1.726 20.630 8.970 1.00 69.89 C 1.527 20.547 11.441 1.00 69.89 C 5.755 18.243 12.334 1.00 68.79 N 6.736 17.173 12.288 1.00 68.79 C 6.640 16.472 10.928 1.00 68.79 C 5.587 15.941 10.554 1.00 68.79 O 6.417 16.263 13.477 1.00 68.79 C 4.927 16.498 13.720 1.00 68.79 C 4.716 17.956 13.312 1.00 68.79 C 7.743 16.468 10.174 1.00 75.68 N 7.818 15.761 8.895 1.00 75.68 C 7.669 14.269 9.178 1.00 75.68 C 8.574 13.602 9.679 1.00 75.68 O 9.109 16.094 8.113 1.00 75.68 C 9.039 17.531 7.563 1.00 75.68 C 9.303 15.140 6.921 1.00 75.68 C 10.396 18.052 7.068 1.00 75.68 C 6.499 13.733 8.839 1.00 79.81 N 6.292 12.293 8.839 1.00 79.81 C 7.071 11.648 7.692 1.00 79.81 C 7.270 12.261 6.640 1.00 79.81 O 4.802 11.948 8.769 1.00 79.81 C 4.296 11.974 7.444 1.00 79.81 O 7.416 10.364 7.845 1.00 86.61 N 8.034 9.562 6.775 1.00 86.61 C 7.266 9.665 5.448 1.00 86.61 C 7.869 9.864 4.402 1.00 86.61 O 8.142 8.101 7.241 1.00 86.61 C 8.891 7.242 6.209 1.00 86.61 C 8.903 5.751 6.550 1.00 86.61 C 9.571 5.488 7.837 1.00 86.61 N 9.185 4.621 8.743 1.00 86.61 C 8.193 3.804 8.525 1.00 86.61 N1+ 9.811 4.562 9.885 1.00 86.61 N 5.930 9.579 5.502 1.00 87.94 N 5.057 9.656 4.318 1.00 87.94 C 5.201 10.992 3.591 1.00 87.94 C 5.274 11.027 2.368 1.00 87.94 O 3.592 9.475 4.729 1.00 87.94 C 3.233 8.070 5.220 1.00 87.94 C 1.748 8.072 5.598 1.00 87.94 C 1.276 6.692 6.056 1.00 87.94 C -0.117 6.779 6.562 1.00 87.94 N1+ 5.250 12.086 4.346 1.00 85.92 N 5.396 13.433 3.793 1.00 85.92 C 6.783 13.643 3.192 1.00 85.92 C 6.901 14.195 2.104 1.00 85.92 O 5.144 14.490 4.871 1.00 85.92 C 4.884 15.834 4.226 1.00 85.92 C 3.999 14.198 5.648 1.00 85.92 O 7.824 13.142 3.859 1.00 89.13 N 9.192 13.198 3.350 1.00 89.13 C 9.334 12.474 2.002 1.00 89.13 C 9.881 13.030 1.050 1.00 89.13 O 10.112 12.597 4.413 1.00 89.13 C 11.576 12.672 4.061 1.00 89.13 C 12.232 11.511 3.628 1.00 89.13 C 12.286 13.880 4.177 1.00 89.13 C 13.588 11.549 3.279 1.00 89.13 C 13.652 13.916 3.848 1.00 89.13 C 14.295 12.753 3.393 1.00 89.13 C 8.778 11.264 1.883 1.00 92.50 N 8.812 10.502 0.629 1.00 92.50 C 7.954 11.123 -0.471 1.00 92.50 C 8.376 11.121 -1.623 1.00 92.50 O 8.436 9.039 0.895 1.00 92.50 C 9.376 8.276 1.814 1.00 92.50 C 10.677 8.746 2.089 1.00 92.50 C 8.953 7.059 2.380 1.00 92.50 C 11.510 8.057 2.982 1.00 92.50 C 9.812 6.331 3.226 1.00 92.50 C 11.080 6.848 3.555 1.00 92.50 C 11.909 6.225 4.429 1.00 92.50 O 6.823 11.745 -0.126 1.00 92.40 N 6.038 12.530 -1.082 1.00 92.40 C 6.857 13.685 -1.682 1.00 92.40 C 6.808 13.899 -2.890 1.00 92.40 O 4.769 13.038 -0.377 1.00 92.40 C 3.861 13.919 -1.251 1.00 92.40 C 3.241 13.140 -2.411 1.00 92.40 C 2.733 14.488 -0.391 1.00 92.40 C 7.630 14.412 -0.869 1.00 91.69 N 8.501 15.484 -1.361 1.00 91.69 C 9.597 14.951 -2.297 1.00 91.69 C 9.806 15.524 -3.364 1.00 91.69 O 9.103 16.240 -0.169 1.00 91.69 C 7.819 17.209 0.676 1.00 91.69 S 10.247 13.832 -1.949 1.00 93.63 N 11.225 13.169 -2.831 1.00 93.63 C 10.571 12.745 -4.150 1.00 93.63 C 11.125 12.990 -5.220 1.00 93.63 O 11.888 11.966 -2.113 1.00 93.63 C 12.847 12.491 -1.021 1.00 93.63 C 12.638 11.044 -3.098 1.00 93.63 C 13.536 11.407 -0.184 1.00 93.63 C 9.392 12.122 -4.095 1.00 94.50 N 8.657 11.698 -5.287 1.00 94.50 C 8.360 12.874 -6.220 1.00 94.50 C 8.587 12.766 -7.425 1.00 94.50 O 7.347 11.009 -4.873 1.00 94.50 C 6.677 10.328 -6.077 1.00 94.50 C 5.369 9.596 -5.745 1.00 94.50 C 4.735 9.123 -6.715 1.00 94.50 O 5.053 9.415 -4.549 1.00 94.50 O1- 7.894 13.999 -5.668 1.00 92.92 N 7.594 15.209 -6.441 1.00 92.92 C 8.843 15.813 -7.073 1.00 92.92 C 8.838 16.004 -8.282 1.00 92.92 O 6.858 16.239 -5.579 1.00 92.92 C 5.402 15.838 -5.318 1.00 92.92 C 4.695 16.961 -4.550 1.00 92.92 C 3.283 16.633 -4.291 1.00 92.92 N 2.285 16.703 -5.152 1.00 92.92 C 2.386 17.219 -6.341 1.00 92.92 N1+ 1.133 16.232 -4.803 1.00 92.92 N 9.928 16.003 -6.315 1.00 94.26 N 11.198 16.513 -6.859 1.00 94.26 C 11.700 15.659 -8.029 1.00 94.26 C 12.148 16.174 -9.049 1.00 94.26 O 12.271 16.527 -5.755 1.00 94.26 C 12.085 17.614 -4.691 1.00 94.26 C 13.040 17.371 -3.524 1.00 94.26 C 12.356 19.010 -5.249 1.00 94.26 C 11.577 14.337 -7.907 1.00 94.83 N 11.960 13.408 -8.964 1.00 94.83 C 11.049 13.480 -10.199 1.00 94.83 C 11.538 13.315 -11.320 1.00 94.83 O 11.959 11.997 -8.369 1.00 94.83 C 13.146 11.689 -7.443 1.00 94.83 C 12.941 10.298 -6.845 1.00 94.83 C 14.483 11.695 -8.184 1.00 94.83 C 9.749 13.714 -10.012 1.00 91.58 N 8.804 13.934 -11.110 1.00 91.58 C 9.029 15.292 -11.800 1.00 91.58 C 8.823 15.392 -13.005 1.00 91.58 O 7.367 13.811 -10.576 1.00 91.58 C 6.966 12.399 -10.181 1.00 91.58 C 5.947 12.279 -9.360 1.00 91.58 N 7.501 11.394 -10.633 1.00 91.58 O 9.505 16.293 -11.058 1.00 92.41 N 9.920 17.624 -11.534 1.00 92.41 C 11.332 17.630 -12.162 1.00 92.41 C 11.882 18.685 -12.456 1.00 92.41 O 9.831 18.623 -10.360 1.00 92.41 C 8.391 18.889 -9.882 1.00 92.41 C 8.328 19.633 -8.535 1.00 92.41 C 7.300 19.496 -7.831 1.00 92.41 O 9.290 20.343 -8.170 1.00 92.41 O1- 11.941 16.454 -12.357 1.00 91.25 N 13.306 16.257 -12.876 1.00 91.25 C 14.437 16.895 -12.042 1.00 91.25 C 15.591 16.909 -12.475 1.00 91.25 O 13.410 16.561 -14.387 1.00 91.25 C 12.351 15.821 -15.225 1.00 91.25 C 12.859 15.454 -16.627 1.00 91.25 C 12.833 14.225 -16.937 1.00 91.25 O 13.335 16.346 -17.359 1.00 91.25 O1- 14.153 17.313 -10.805 1.00 91.73 N 15.121 17.874 -9.857 1.00 91.73 C 15.856 16.772 -9.078 1.00 91.73 C 15.662 16.580 -7.872 1.00 91.73 O 14.433 18.858 -8.905 1.00 91.73 C 13.743 20.032 -9.610 1.00 91.73 C 13.353 21.135 -8.631 1.00 91.73 C 12.588 22.107 -9.069 1.00 91.73 N 13.756 21.164 -7.475 1.00 91.73 O 16.697 16.006 -9.775 1.00 92.87 N 17.391 14.857 -9.189 1.00 92.87 C 18.381 15.266 -8.090 1.00 92.87 C 18.433 14.632 -7.033 1.00 92.87 O 18.098 14.073 -10.307 1.00 92.87 C 18.915 12.880 -9.783 1.00 92.87 C 18.029 11.834 -9.105 1.00 92.87 C 19.692 12.213 -10.917 1.00 92.87 C 19.154 16.315 -8.333 1.00 91.17 N 20.198 16.798 -7.434 1.00 91.17 C 19.568 17.280 -6.118 1.00 91.17 C 19.975 16.868 -5.032 1.00 91.17 O 20.998 17.917 -8.132 1.00 91.17 C 21.787 17.479 -9.392 1.00 91.17 C 20.949 17.208 -10.665 1.00 91.17 C 21.484 16.599 -11.626 1.00 91.17 O 19.748 17.572 -10.689 1.00 91.17 O1- 18.480 18.052 -6.206 1.00 90.52 N 17.693 18.498 -5.049 1.00 90.52 C 17.081 17.325 -4.283 1.00 90.52 C 17.158 17.285 -3.055 1.00 90.52 O 16.559 19.430 -5.496 1.00 90.52 C 15.920 20.147 -4.316 1.00 90.52 C 17.039 20.432 -6.359 1.00 90.52 O 16.504 16.340 -4.982 1.00 93.11 N 15.971 15.139 -4.339 1.00 93.11 C 17.065 14.375 -3.579 1.00 93.11 C 16.827 13.898 -2.468 1.00 93.11 O 15.308 14.253 -5.402 1.00 93.11 C 18.266 14.288 -4.154 1.00 93.00 N 19.423 13.624 -3.542 1.00 93.00 C 19.868 14.339 -2.269 1.00 93.00 C 20.017 13.698 -1.232 1.00 93.00 O 20.591 13.549 -4.526 1.00 93.00 C 20.164 12.972 -5.744 1.00 93.00 O 19.956 15.675 -2.305 1.00 90.23 N 20.233 16.504 -1.121 1.00 90.23 C 19.178 16.332 -0.035 1.00 90.23 C 19.513 16.242 1.141 1.00 90.23 O 20.320 17.981 -1.526 1.00 90.23 C 21.583 18.249 -2.339 1.00 90.23 C 21.665 19.696 -2.837 1.00 90.23 C 23.023 19.734 -3.527 1.00 90.23 C 23.450 21.033 -4.076 1.00 90.23 N1+ 17.903 16.242 -0.417 1.00 89.44 N 16.824 15.984 0.535 1.00 89.44 C 16.968 14.603 1.189 1.00 89.44 C 16.790 14.493 2.402 1.00 89.44 O 15.465 16.169 -0.164 1.00 89.44 C 14.258 15.973 0.773 1.00 89.44 C 14.234 16.992 1.916 1.00 89.44 C 12.953 16.124 -0.008 1.00 89.44 C 17.309 13.563 0.420 1.00 91.46 N 17.577 12.223 0.952 1.00 91.46 C 18.745 12.238 1.945 1.00 91.46 C 18.618 11.668 3.032 1.00 91.46 O 17.846 11.247 -0.210 1.00 91.46 C 18.180 9.812 0.245 1.00 91.46 C 16.992 9.159 0.956 1.00 91.46 C 18.544 8.943 -0.959 1.00 91.46 C 19.841 12.901 1.583 1.00 89.86 N 21.034 13.016 2.416 1.00 89.86 C 20.742 13.776 3.719 1.00 89.86 C 21.001 13.264 4.809 1.00 89.86 O 22.153 13.673 1.603 1.00 89.86 C 23.473 13.455 2.326 1.00 89.86 C 23.934 12.288 2.327 1.00 89.86 O 23.944 14.407 2.971 1.00 89.86 O1- 20.036 14.907 3.633 1.00 86.28 N 19.526 15.632 4.798 1.00 86.28 C 18.674 14.732 5.704 1.00 86.28 C 18.840 14.718 6.926 1.00 86.28 O 18.697 16.835 4.322 1.00 86.28 C 18.056 17.601 5.462 1.00 86.28 C 16.760 17.267 5.907 1.00 86.28 C 18.786 18.608 6.119 1.00 86.28 C 16.207 17.925 7.023 1.00 86.28 C 18.243 19.260 7.240 1.00 86.28 C 16.953 18.916 7.695 1.00 86.28 C 16.427 19.534 8.784 1.00 86.28 O 17.778 13.934 5.115 1.00 86.21 N 16.964 12.978 5.861 1.00 86.21 C 17.798 11.926 6.590 1.00 86.21 C 17.491 11.571 7.729 1.00 86.21 O 18.877 11.452 5.970 1.00 87.58 N 19.803 10.517 6.598 1.00 87.58 C 20.590 11.163 7.742 1.00 87.58 C 20.746 10.537 8.793 1.00 87.58 O 20.753 9.943 5.541 1.00 87.58 C 21.851 9.097 6.148 1.00 87.58 C 23.171 9.585 6.190 1.00 87.58 C 21.550 7.842 6.710 1.00 87.58 C 24.191 8.802 6.756 1.00 87.58 C 22.567 7.069 7.298 1.00 87.58 C 23.892 7.541 7.301 1.00 87.58 C 21.075 12.390 7.560 1.00 85.22 N 21.900 13.077 8.551 1.00 85.22 C 21.079 13.566 9.753 1.00 85.22 C 21.472 13.336 10.897 1.00 85.22 O 22.651 14.236 7.883 1.00 85.22 C 23.685 13.773 6.836 1.00 85.22 C 24.579 14.913 6.355 1.00 85.22 C 25.289 14.767 5.267 1.00 85.22 N 24.709 15.941 6.994 1.00 85.22 O 19.914 14.174 9.510 1.00 83.45 N 19.206 14.967 10.521 1.00 83.45 C 17.867 14.384 10.986 1.00 83.45 C 17.415 14.724 12.076 1.00 83.45 O 19.018 16.391 9.986 1.00 83.45 C 20.317 17.069 9.641 1.00 83.45 C 20.792 17.306 8.382 1.00 83.45 C 21.271 17.524 10.526 1.00 83.45 N 22.287 18.039 9.811 1.00 83.45 C 22.025 17.943 8.501 1.00 83.45 N 17.217 13.493 10.223 1.00 80.13 N 15.884 12.980 10.591 1.00 80.13 C 15.911 11.663 11.379 1.00 80.13 C 14.842 11.137 11.687 1.00 80.13 O 14.932 12.933 9.377 1.00 80.13 C 14.702 14.289 8.684 1.00 80.13 C 13.784 14.109 7.473 1.00 80.13 C 14.024 15.304 9.609 1.00 80.13 C 17.087 11.148 11.771 1.00 72.14 N 17.218 9.879 12.522 1.00 72.14 C 16.369 9.830 13.798 1.00 72.14 C 15.832 8.768 14.104 1.00 72.14 O 18.690 9.609 12.883 1.00 72.14 C 19.524 9.146 11.681 1.00 72.14 C 20.989 8.930 12.090 1.00 72.14 C 21.826 8.429 10.906 1.00 72.14 C 23.280 8.566 11.167 1.00 72.14 N1+ 16.227 10.952 14.508 1.00 68.79 N 15.386 11.071 15.711 1.00 68.79 C 13.886 10.985 15.408 1.00 68.79 C 13.123 10.480 16.226 1.00 68.79 O 15.683 12.399 16.417 1.00 68.79 C 15.552 13.468 15.497 1.00 68.79 O 13.463 11.425 14.219 1.00 69.81 N 12.061 11.445 13.800 1.00 69.81 C 11.641 10.119 13.153 1.00 69.81 C 10.572 9.579 13.445 1.00 69.81 O 11.854 12.635 12.844 1.00 69.81 C 12.003 13.976 13.541 1.00 69.81 C 12.504 14.982 12.863 1.00 69.81 N 11.642 14.150 14.687 1.00 69.81 O 12.462 9.589 12.243 1.00 79.59 N 12.258 8.289 11.612 1.00 79.59 C 13.531 7.787 10.922 1.00 79.59 C 14.297 8.538 10.329 1.00 79.59 O 11.103 8.348 10.591 1.00 79.59 C 11.282 9.355 9.469 1.00 79.59 C 10.878 10.690 9.653 1.00 79.59 C 11.863 8.963 8.247 1.00 79.59 C 11.080 11.635 8.635 1.00 79.59 C 12.046 9.909 7.223 1.00 79.59 C 11.669 11.244 7.423 1.00 79.59 C 13.707 6.463 10.893 1.00 83.75 N 14.724 5.827 10.048 1.00 83.75 C 14.245 5.738 8.595 1.00 83.75 C 13.090 5.365 8.357 1.00 83.75 O 15.109 4.467 10.647 1.00 83.75 C 16.368 3.894 9.984 1.00 83.75 C 16.821 2.596 10.661 1.00 83.75 C 18.061 2.060 9.936 1.00 83.75 C 18.620 0.857 10.603 1.00 83.75 N1+ 15.139 6.045 7.653 1.00 88.40 N 14.938 5.803 6.223 1.00 88.40 C 14.846 4.298 5.939 1.00 88.40 C 15.645 3.512 6.453 1.00 88.40 O 16.082 6.428 5.399 1.00 88.40 C 16.240 7.956 5.502 1.00 88.40 C 17.442 8.381 4.667 1.00 88.40 C 15.008 8.691 4.979 1.00 88.40 C 13.881 3.900 5.117 1.00 89.05 N 13.681 2.518 4.693 1.00 89.05 C 13.812 2.371 3.165 1.00 89.05 C 14.269 3.280 2.464 1.00 89.05 O 12.358 1.991 5.286 1.00 89.05 C 11.098 2.716 4.802 1.00 89.05 C 11.144 3.244 3.672 1.00 89.05 O 10.103 2.698 5.567 1.00 89.05 O1- 13.480 1.185 2.648 1.00 91.36 N 13.638 0.856 1.230 1.00 91.36 C 12.796 1.739 0.310 1.00 91.36 C 13.155 1.881 -0.858 1.00 91.36 O 13.289 -0.616 0.983 1.00 91.36 C 11.967 -0.915 1.397 1.00 91.36 O 11.713 2.355 0.797 1.00 92.92 N 10.837 3.214 -0.002 1.00 92.92 C 11.591 4.447 -0.515 1.00 92.92 C 11.509 4.748 -1.708 1.00 92.92 O 9.598 3.577 0.828 1.00 92.92 C 8.502 4.292 0.022 1.00 92.92 C 7.193 4.500 0.814 1.00 92.92 C 6.229 5.018 0.210 1.00 92.92 O 7.117 4.118 2.006 1.00 92.92 O1- 12.425 5.065 0.333 1.00 91.15 N 13.265 6.211 -0.022 1.00 91.15 C 14.148 5.909 -1.242 1.00 91.15 C 14.055 6.575 -2.271 1.00 91.15 O 14.131 6.581 1.190 1.00 91.15 C 14.946 4.840 -1.156 1.00 94.79 N 15.780 4.356 -2.260 1.00 94.79 C 14.922 3.995 -3.480 1.00 94.79 C 15.282 4.282 -4.623 1.00 94.79 O 16.566 3.135 -1.758 1.00 94.79 C 17.403 2.463 -2.855 1.00 94.79 C 18.410 1.052 -2.318 1.00 94.79 S 17.194 0.080 -1.401 1.00 94.79 C 13.761 3.377 -3.254 1.00 97.39 N 12.917 2.879 -4.326 1.00 97.39 C 12.271 3.993 -5.173 1.00 97.39 C 11.983 3.746 -6.347 1.00 97.39 O 11.891 1.879 -3.757 1.00 97.39 C 12.456 0.503 -3.400 1.00 97.39 C 11.654 -0.315 -2.762 1.00 97.39 N 13.554 0.101 -3.772 1.00 97.39 O 12.092 5.211 -4.650 1.00 96.40 N 11.681 6.367 -5.460 1.00 96.40 C 12.704 6.689 -6.558 1.00 96.40 C 12.344 6.713 -7.738 1.00 96.40 O 11.397 7.584 -4.569 1.00 96.40 C 10.030 7.529 -3.945 1.00 96.40 C 9.733 7.169 -2.660 1.00 96.40 C 8.839 7.850 -4.565 1.00 96.40 N 7.849 7.677 -3.669 1.00 96.40 C 8.349 7.229 -2.513 1.00 96.40 N 13.983 6.821 -6.201 1.00 97.40 N 15.073 7.066 -7.154 1.00 97.40 C 15.235 5.908 -8.138 1.00 97.40 C 15.217 6.089 -9.359 1.00 97.40 O 16.380 7.259 -6.384 1.00 97.40 C 16.420 8.520 -5.563 1.00 97.40 C 16.950 9.702 -6.107 1.00 97.40 C 15.919 8.509 -4.252 1.00 97.40 C 16.976 10.876 -5.335 1.00 97.40 C 15.917 9.685 -3.492 1.00 97.40 C 16.451 10.862 -4.033 1.00 97.40 C 15.303 4.684 -7.608 1.00 97.13 N 15.456 3.471 -8.409 1.00 97.13 C 14.343 3.320 -9.450 1.00 97.13 C 14.603 2.840 -10.555 1.00 97.13 O 15.451 2.255 -7.483 1.00 97.13 C 16.686 2.168 -6.587 1.00 97.13 C 18.215 1.870 -7.488 1.00 97.13 S 18.016 0.124 -7.892 1.00 97.13 C 13.110 3.754 -9.151 1.00 96.50 N 11.987 3.706 -10.098 1.00 96.50 C 12.226 4.621 -11.292 1.00 96.50 C 11.978 4.193 -12.424 1.00 96.50 O 10.687 4.056 -9.360 1.00 96.50 C 9.431 3.862 -10.225 1.00 96.50 C 8.148 4.212 -9.454 1.00 96.50 C 7.948 3.342 -8.272 1.00 96.50 N 8.117 3.676 -6.998 1.00 96.50 C 8.463 4.873 -6.619 1.00 96.50 N1+ 7.931 2.797 -6.052 1.00 96.50 N 12.723 5.835 -11.058 1.00 96.08 N 13.063 6.798 -12.115 1.00 96.08 C 14.225 6.279 -12.957 1.00 96.08 C 14.109 6.210 -14.184 1.00 96.08 O 13.383 8.184 -11.526 1.00 96.08 C 13.699 9.198 -12.631 1.00 96.08 C 12.177 8.722 -10.760 1.00 96.08 C 15.301 5.813 -12.322 1.00 96.24 N 16.466 5.268 -13.026 1.00 96.24 C 16.115 4.025 -13.847 1.00 96.24 C 16.460 3.929 -15.027 1.00 96.24 O 17.578 4.975 -12.013 1.00 96.24 C 18.016 6.161 -11.172 1.00 96.24 C 17.997 7.474 -11.692 1.00 96.24 C 18.470 5.944 -9.858 1.00 96.24 C 18.434 8.554 -10.910 1.00 96.24 C 18.911 7.029 -9.086 1.00 96.24 C 18.911 8.324 -9.613 1.00 96.24 C 15.323 3.113 -13.281 1.00 96.50 N 14.827 1.938 -13.987 1.00 96.50 C 13.826 2.283 -15.100 1.00 96.50 C 13.678 1.525 -16.062 1.00 96.50 O 14.201 0.990 -12.965 1.00 96.50 C 13.110 3.405 -15.000 1.00 93.73 N 12.266 3.902 -16.083 1.00 93.73 C 13.080 4.414 -17.266 1.00 93.73 C 12.778 4.029 -18.395 1.00 93.73 O 11.223 4.897 -15.560 1.00 93.73 C 10.005 4.213 -14.961 1.00 93.73 C 9.230 4.935 -14.189 1.00 93.73 N 9.708 3.043 -15.220 1.00 93.73 O 14.143 5.168 -16.987 1.00 91.70 N 15.071 5.713 -17.985 1.00 91.70 C 16.113 4.693 -18.487 1.00 91.70 C 16.875 5.005 -19.390 1.00 91.70 O 15.694 7.006 -17.406 1.00 91.70 C 14.673 8.171 -17.311 1.00 91.70 C 15.243 9.461 -16.672 1.00 91.70 C 14.564 10.778 -17.140 1.00 91.70 C 13.742 11.528 -16.137 1.00 91.70 N1+ 16.158 3.478 -17.926 1.00 91.12 N 17.148 2.452 -18.296 1.00 91.12 C 18.578 2.788 -17.869 1.00 91.12 C 19.528 2.217 -18.392 1.00 91.12 O 18.736 3.709 -16.915 1.00 92.27 N 20.025 4.159 -16.383 1.00 92.27 C 20.539 3.163 -15.346 1.00 92.27 C 20.340 3.337 -14.144 1.00 92.27 O 19.871 5.592 -15.836 1.00 92.27 C 19.660 6.652 -16.935 1.00 92.27 C 20.861 6.837 -17.877 1.00 92.27 C 22.074 7.268 -17.157 1.00 92.27 N 22.467 8.499 -16.879 1.00 92.27 C 21.791 9.569 -17.193 1.00 92.27 N1+ 23.586 8.702 -16.267 1.00 92.27 N 21.127 2.061 -15.821 1.00 93.56 N 21.731 1.033 -14.958 1.00 93.56 C 22.862 1.580 -14.099 1.00 93.56 C 22.994 1.168 -12.954 1.00 93.56 O 22.300 -0.117 -15.790 1.00 93.56 C 21.249 -0.940 -16.239 1.00 93.56 O 23.638 2.515 -14.637 1.00 94.20 N 24.650 3.278 -13.912 1.00 94.20 C 24.086 3.925 -12.642 1.00 94.20 C 24.520 3.593 -11.540 1.00 94.20 O 25.279 4.320 -14.856 1.00 94.20 C 24.311 5.249 -15.611 1.00 94.20 C 23.086 4.993 -15.665 1.00 94.20 O 24.771 6.254 -16.187 1.00 94.20 O1- 23.060 4.768 -12.779 1.00 95.09 N 22.437 5.452 -11.644 1.00 95.09 C 21.703 4.484 -10.714 1.00 95.09 C 21.699 4.681 -9.503 1.00 95.09 O 21.486 6.547 -12.151 1.00 95.09 C 22.200 7.723 -12.835 1.00 95.09 C 21.174 8.663 -13.463 1.00 95.09 C 23.036 8.533 -11.847 1.00 95.09 C 21.126 3.407 -11.250 1.00 96.70 N 20.492 2.380 -10.431 1.00 96.70 C 21.504 1.661 -9.517 1.00 96.70 C 21.227 1.465 -8.335 1.00 96.70 O 19.742 1.408 -11.349 1.00 96.70 C 22.685 1.291 -10.026 1.00 96.05 N 23.730 0.687 -9.193 1.00 96.05 C 24.345 1.694 -8.221 1.00 96.05 C 24.510 1.352 -7.051 1.00 96.05 O 24.808 0.023 -10.059 1.00 96.05 C 24.413 -1.347 -10.575 1.00 96.05 C 24.255 -2.416 -9.672 1.00 96.05 C 24.222 -1.566 -11.950 1.00 96.05 C 23.899 -3.691 -10.143 1.00 96.05 C 23.851 -2.836 -12.422 1.00 96.05 C 23.700 -3.900 -11.518 1.00 96.05 C 24.610 2.927 -8.670 1.00 95.18 N 25.091 4.009 -7.807 1.00 95.18 C 24.144 4.211 -6.615 1.00 95.18 C 24.560 4.127 -5.465 1.00 95.18 O 25.217 5.301 -8.638 1.00 95.18 C 25.884 6.452 -7.859 1.00 95.18 C 27.399 6.268 -7.837 1.00 95.18 C 25.570 7.804 -8.492 1.00 95.18 C 22.851 4.394 -6.886 1.00 96.10 N 21.832 4.617 -5.866 1.00 96.10 C 21.692 3.432 -4.909 1.00 96.10 C 21.702 3.629 -3.693 1.00 96.10 O 20.521 4.908 -6.590 1.00 96.10 C 19.189 5.258 -5.407 1.00 96.10 S 21.617 2.206 -5.440 1.00 96.38 N 21.553 0.990 -4.629 1.00 96.38 C 22.740 0.894 -3.665 1.00 96.38 C 22.554 0.683 -2.465 1.00 96.38 O 21.506 -0.236 -5.552 1.00 96.38 C 21.664 -1.558 -4.824 1.00 96.38 C 22.918 -2.198 -4.789 1.00 96.38 C 20.570 -2.129 -4.150 1.00 96.38 C 23.078 -3.403 -4.081 1.00 96.38 C 20.719 -3.347 -3.456 1.00 96.38 C 21.980 -3.981 -3.412 1.00 96.38 C 22.154 -5.139 -2.722 1.00 96.38 O 23.957 1.079 -4.174 1.00 95.19 N 25.168 0.971 -3.373 1.00 95.19 C 25.282 2.101 -2.350 1.00 95.19 C 25.583 1.810 -1.195 1.00 95.19 O 26.374 0.989 -4.300 1.00 95.19 C 26.571 -0.274 -5.105 1.00 95.19 C 27.235 -0.116 -6.217 1.00 95.19 N 26.203 -1.378 -4.722 1.00 95.19 O 25.013 3.354 -2.731 1.00 94.57 N 25.029 4.497 -1.804 1.00 94.57 C 24.019 4.288 -0.679 1.00 94.57 C 24.388 4.318 0.495 1.00 94.57 O 24.750 5.819 -2.538 1.00 94.57 C 24.815 7.037 -1.620 1.00 94.57 C 25.731 6.038 -3.521 1.00 94.57 O 22.765 3.960 -1.005 1.00 94.74 N 21.729 3.743 0.005 1.00 94.74 C 22.060 2.569 0.936 1.00 94.74 C 21.873 2.662 2.149 1.00 94.74 O 20.377 3.526 -0.682 1.00 94.74 C 19.827 5.044 -1.508 1.00 94.74 S 22.593 1.470 0.394 1.00 93.53 N 22.953 0.283 1.178 1.00 93.53 C 24.190 0.502 2.048 1.00 93.53 C 24.184 0.143 3.223 1.00 93.53 O 23.128 -0.890 0.207 1.00 93.53 C 23.433 -2.219 0.908 1.00 93.53 C 23.650 -3.287 -0.164 1.00 93.53 C 24.016 -4.583 0.425 1.00 93.53 N 24.933 -5.438 0.025 1.00 93.53 C 25.706 -5.218 -1.002 1.00 93.53 N1+ 25.043 -6.570 0.648 1.00 93.53 N 25.269 1.051 1.482 1.00 92.69 N 26.580 1.142 2.144 1.00 92.69 C 26.725 2.387 3.009 1.00 92.69 C 27.225 2.251 4.125 1.00 92.69 O 27.722 1.085 1.119 1.00 92.69 C 27.858 -0.289 0.444 1.00 92.69 C 29.066 -0.266 -0.500 1.00 92.69 C 29.465 -1.668 -0.970 1.00 92.69 C 30.778 -1.632 -1.662 1.00 92.69 N1+ 26.291 3.547 2.518 1.00 91.77 N 26.406 4.831 3.222 1.00 91.77 C 25.203 5.004 4.144 1.00 91.77 C 25.359 5.043 5.362 1.00 91.77 O 26.574 6.008 2.229 1.00 91.77 C 27.734 5.790 1.228 1.00 91.77 C 26.760 7.333 2.984 1.00 91.77 C 29.114 5.564 1.865 1.00 91.77 C 23.991 4.965 3.586 1.00 91.50 N 22.775 5.228 4.365 1.00 91.50 C 22.279 4.036 5.196 1.00 91.50 C 21.330 4.170 5.971 1.00 91.50 O 21.684 5.831 3.468 1.00 91.50 C 22.108 7.044 2.657 1.00 91.50 C 23.032 7.967 3.190 1.00 91.50 C 21.545 7.282 1.386 1.00 91.50 C 23.384 9.119 2.473 1.00 91.50 C 21.918 8.426 0.654 1.00 91.50 C 22.825 9.356 1.206 1.00 91.50 C 23.130 10.487 0.534 1.00 91.50 O 22.921 2.865 5.066 1.00 90.61 N 22.560 1.612 5.762 1.00 90.61 C 21.081 1.232 5.584 1.00 90.61 C 20.461 0.651 6.480 1.00 90.61 O 22.996 1.657 7.241 1.00 90.61 C 24.462 2.042 7.498 1.00 90.61 C 25.479 1.120 6.811 1.00 90.61 C 26.886 1.530 7.264 1.00 90.61 C 27.945 0.892 6.451 1.00 90.61 N1+ 20.510 1.564 4.426 1.00 92.60 N 19.139 1.224 4.048 1.00 92.60 C 19.132 -0.204 3.506 1.00 92.60 C 19.829 -0.527 2.543 1.00 92.60 O 18.566 2.237 3.032 1.00 92.60 C 18.515 3.655 3.650 1.00 92.60 C 17.162 1.793 2.585 1.00 92.60 C 18.109 4.760 2.667 1.00 92.60 C 18.320 -1.072 4.115 1.00 91.45 N 18.165 -2.453 3.653 1.00 91.45 C 17.279 -2.490 2.397 1.00 91.45 C 16.192 -1.911 2.432 1.00 91.45 O 17.624 -3.336 4.787 1.00 91.45 C 17.707 -4.818 4.399 1.00 91.45 C 17.324 -5.751 5.551 1.00 91.45 C 17.491 -7.193 5.057 1.00 91.45 C 17.353 -8.188 6.149 1.00 91.45 N1+ 17.693 -3.162 1.309 1.00 93.07 N 16.862 -3.301 0.119 1.00 93.07 C 15.656 -4.207 0.365 1.00 93.07 C 15.680 -5.098 1.215 1.00 93.07 O 17.792 -3.861 -0.959 1.00 93.07 C 18.797 -4.683 -0.153 1.00 93.07 C 18.960 -3.863 1.124 1.00 93.07 C 14.610 -4.012 -0.434 1.00 89.77 N 13.461 -4.910 -0.479 1.00 89.77 C 13.362 -5.634 -1.827 1.00 89.77 C 14.163 -5.449 -2.747 1.00 89.77 O 12.174 -4.172 -0.079 1.00 89.77 C 11.686 -3.127 -1.084 1.00 89.77 C 12.042 -3.201 -2.281 1.00 89.77 O 10.875 -2.274 -0.679 1.00 89.77 O1- 12.343 -6.483 -1.969 1.00 86.35 N 12.139 -7.212 -3.217 1.00 86.35 C 11.903 -6.289 -4.418 1.00 86.35 C 12.232 -6.710 -5.527 1.00 86.35 O 10.973 -8.190 -3.088 1.00 86.35 C 10.863 -8.961 -4.275 1.00 86.35 O 11.322 -5.092 -4.248 1.00 91.52 N 11.104 -4.161 -5.359 1.00 91.52 C 12.411 -3.520 -5.820 1.00 91.52 C 12.578 -3.327 -7.026 1.00 91.52 O 10.093 -3.055 -5.015 1.00 91.52 C 8.655 -3.568 -4.846 1.00 91.52 C 7.601 -2.508 -5.181 1.00 91.52 C 6.364 -2.906 -5.381 1.00 91.52 N 7.846 -1.323 -5.327 1.00 91.52 O 13.359 -3.271 -4.915 1.00 94.23 N 14.693 -2.756 -5.258 1.00 94.23 C 15.354 -3.603 -6.352 1.00 94.23 C 15.803 -3.079 -7.374 1.00 94.23 O 15.593 -2.702 -4.016 1.00 94.23 C 16.859 -1.900 -4.294 1.00 94.23 C 14.941 -2.100 -2.919 1.00 94.23 O 15.318 -4.933 -6.214 1.00 95.10 N 15.870 -5.846 -7.223 1.00 95.10 C 15.051 -5.895 -8.512 1.00 95.10 C 15.624 -6.029 -9.592 1.00 95.10 O 16.007 -7.256 -6.649 1.00 95.10 C 16.895 -7.299 -5.434 1.00 95.10 C 18.294 -7.254 -5.580 1.00 95.10 C 16.316 -7.296 -4.154 1.00 95.10 C 19.110 -7.196 -4.440 1.00 95.10 C 17.131 -7.227 -3.020 1.00 95.10 C 18.523 -7.183 -3.166 1.00 95.10 C 13.722 -5.762 -8.438 1.00 94.36 N 12.894 -5.639 -9.645 1.00 94.36 C 13.287 -4.409 -10.465 1.00 94.36 C 13.319 -4.471 -11.694 1.00 94.36 O 11.395 -5.570 -9.303 1.00 94.36 C 10.839 -6.864 -8.699 1.00 94.36 C 11.125 -8.073 -9.587 1.00 94.36 C 11.710 -9.072 -9.094 1.00 94.36 O 10.777 -8.023 -10.790 1.00 94.36 O1- 13.639 -3.310 -9.799 1.00 96.64 N 14.112 -2.098 -10.460 1.00 96.64 C 15.527 -2.243 -11.012 1.00 96.64 C 15.763 -1.766 -12.117 1.00 96.64 O 14.000 -0.909 -9.517 1.00 96.64 C 12.518 -0.630 -9.258 1.00 96.64 C 12.211 0.744 -8.156 1.00 96.64 S 13.023 0.078 -6.701 1.00 96.64 C 16.427 -2.970 -10.342 1.00 97.35 N 17.735 -3.325 -10.912 1.00 97.35 C 17.586 -4.163 -12.192 1.00 97.35 C 18.173 -3.825 -13.221 1.00 97.35 O 18.590 -4.073 -9.871 1.00 97.35 C 19.169 -3.190 -8.751 1.00 97.35 C 19.815 -4.072 -7.683 1.00 97.35 C 20.245 -2.242 -9.286 1.00 97.35 C 16.743 -5.206 -12.177 1.00 96.73 N 16.459 -5.996 -13.382 1.00 96.73 C 15.833 -5.140 -14.484 1.00 96.73 C 16.217 -5.241 -15.647 1.00 96.73 O 15.520 -7.172 -13.068 1.00 96.73 C 16.116 -8.283 -12.229 1.00 96.73 C 17.306 -8.920 -12.631 1.00 96.73 C 15.468 -8.702 -11.051 1.00 96.73 C 17.859 -9.942 -11.839 1.00 96.73 C 16.025 -9.721 -10.261 1.00 96.73 C 17.223 -10.341 -10.653 1.00 96.73 C 14.874 -4.281 -14.134 1.00 96.41 N 14.208 -3.374 -15.072 1.00 96.41 C 15.183 -2.366 -15.688 1.00 96.41 C 15.127 -2.167 -16.900 1.00 96.41 O 13.066 -2.706 -14.310 1.00 96.41 C 12.255 -1.694 -15.118 1.00 96.41 C 11.159 -1.148 -14.195 1.00 96.41 C 10.425 -0.015 -14.885 1.00 96.41 C 9.427 0.643 -14.014 1.00 96.41 N1+ 16.076 -1.782 -14.888 1.00 96.16 N 17.127 -0.883 -15.352 1.00 96.16 C 18.052 -1.602 -16.338 1.00 96.16 C 18.207 -1.128 -17.457 1.00 96.16 O 17.899 -0.323 -14.149 1.00 96.16 C 18.556 -2.792 -15.981 1.00 95.32 N 19.405 -3.610 -16.856 1.00 95.32 C 18.716 -3.954 -18.184 1.00 95.32 C 19.288 -3.773 -19.255 1.00 95.32 O 19.826 -4.876 -16.083 1.00 95.32 C 20.713 -5.832 -16.902 1.00 95.32 C 22.037 -5.186 -17.309 1.00 95.32 C 21.014 -7.099 -16.108 1.00 95.32 C 17.463 -4.412 -18.129 1.00 93.19 N 16.674 -4.754 -19.324 1.00 93.19 C 16.481 -3.550 -20.245 1.00 93.19 C 16.465 -3.725 -21.463 1.00 93.19 O 15.312 -5.336 -18.901 1.00 93.19 C 14.272 -5.403 -20.029 1.00 93.19 C 15.484 -6.764 -18.376 1.00 93.19 C 16.292 -2.349 -19.687 1.00 92.99 N 16.091 -1.123 -20.470 1.00 92.99 C 17.385 -0.467 -20.939 1.00 92.99 C 17.348 0.177 -21.978 1.00 92.99 O 15.237 -0.124 -19.689 1.00 92.99 C 13.761 -0.523 -19.707 1.00 92.99 C 12.926 0.692 -19.318 1.00 92.99 C 11.481 0.430 -19.479 1.00 92.99 N 10.547 0.734 -18.605 1.00 92.99 C 10.854 1.143 -17.421 1.00 92.99 N1+ 9.281 0.663 -18.906 1.00 92.99 N 18.494 -0.662 -20.230 1.00 90.44 N 19.825 -0.229 -20.662 1.00 90.44 C 20.235 -0.899 -21.986 1.00 90.44 C 20.913 -0.300 -22.814 1.00 90.44 O 20.810 -0.573 -19.535 1.00 90.44 C 22.199 -0.002 -19.756 1.00 90.44 C 23.211 -0.714 -19.316 1.00 90.44 N 22.396 1.079 -20.284 1.00 90.44 O 19.769 -2.132 -22.206 1.00 86.19 N 19.982 -2.880 -23.441 1.00 86.19 C 20.978 -4.026 -23.281 1.00 86.19 C 21.565 -4.236 -22.222 1.00 86.19 O 21.125 -4.815 -24.344 1.00 84.21 N 21.997 -5.986 -24.361 1.00 84.21 C 23.453 -5.569 -24.614 1.00 84.21 C 23.850 -5.361 -25.756 1.00 84.21 O 21.470 -6.952 -25.429 1.00 84.21 C 22.281 -8.231 -25.499 1.00 84.21 C 22.367 -8.794 -26.677 1.00 84.21 N 22.774 -8.750 -24.513 1.00 84.21 O 24.232 -5.424 -23.546 1.00 86.88 N 25.651 -5.043 -23.596 1.00 86.88 C 26.566 -6.272 -23.542 1.00 86.88 C 26.138 -7.366 -23.172 1.00 86.88 O 25.980 -4.050 -22.468 1.00 86.88 C 25.084 -2.812 -22.518 1.00 86.88 C 25.811 -4.645 -21.202 1.00 86.88 O 27.860 -6.111 -23.858 1.00 85.75 N 28.847 -7.215 -23.850 1.00 85.75 C 28.880 -7.999 -22.527 1.00 85.75 C 29.033 -9.217 -22.546 1.00 85.75 O 30.239 -6.648 -24.192 1.00 85.75 C 31.317 -7.742 -24.320 1.00 85.75 C 32.682 -7.161 -24.723 1.00 85.75 C 33.730 -8.283 -24.813 1.00 85.75 C 35.030 -7.806 -25.360 1.00 85.75 N1+ 28.719 -7.305 -21.396 1.00 89.89 N 28.755 -7.889 -20.050 1.00 89.89 C 27.354 -8.146 -19.464 1.00 89.89 C 27.243 -8.401 -18.266 1.00 89.89 O 29.610 -7.010 -19.120 1.00 89.89 C 31.013 -6.772 -19.643 1.00 89.89 C 31.411 -5.528 -19.744 1.00 89.89 N 31.749 -7.676 -20.000 1.00 89.89 O 26.284 -8.086 -20.269 1.00 91.39 N 24.899 -8.205 -19.794 1.00 91.39 C 24.677 -9.445 -18.918 1.00 91.39 C 24.091 -9.341 -17.843 1.00 91.39 O 23.955 -8.240 -21.003 1.00 91.39 C 22.484 -8.268 -20.642 1.00 91.39 C 21.831 -9.484 -20.367 1.00 91.39 C 21.764 -7.063 -20.576 1.00 91.39 C 20.470 -9.488 -20.010 1.00 91.39 C 20.396 -7.070 -20.261 1.00 91.39 C 19.751 -8.281 -19.959 1.00 91.39 C 25.191 -10.604 -19.347 1.00 91.04 N 25.104 -11.857 -18.593 1.00 91.04 C 25.761 -11.786 -17.214 1.00 91.04 C 25.149 -12.180 -16.223 1.00 91.04 O 26.968 -11.220 -17.134 1.00 91.96 N 27.699 -11.069 -15.877 1.00 91.96 C 26.977 -10.120 -14.908 1.00 91.96 C 26.835 -10.428 -13.726 1.00 91.96 O 29.118 -10.585 -16.194 1.00 91.96 C 26.449 -8.998 -15.412 1.00 94.26 N 25.658 -8.047 -14.612 1.00 94.26 C 24.345 -8.685 -14.146 1.00 94.26 C 23.945 -8.514 -12.996 1.00 94.26 O 25.372 -6.756 -15.407 1.00 94.26 C 24.622 -5.729 -14.550 1.00 94.26 C 26.648 -6.061 -15.907 1.00 94.26 C 23.676 -9.459 -15.007 1.00 94.40 N 22.458 -10.185 -14.652 1.00 94.40 C 22.717 -11.201 -13.535 1.00 94.40 C 21.929 -11.275 -12.589 1.00 94.40 O 21.885 -10.867 -15.910 1.00 94.40 C 20.649 -11.747 -15.649 1.00 94.40 C 19.515 -10.966 -14.986 1.00 94.40 C 20.133 -12.325 -16.963 1.00 94.40 C 23.804 -11.969 -13.636 1.00 93.26 N 24.181 -12.921 -12.596 1.00 93.26 C 24.528 -12.204 -11.289 1.00 93.26 C 24.021 -12.584 -10.241 1.00 93.26 O 25.317 -13.829 -13.091 1.00 93.26 C 25.557 -14.999 -12.123 1.00 93.26 C 24.309 -15.853 -11.898 1.00 93.26 C 23.999 -16.204 -10.672 1.00 93.26 N 23.539 -16.154 -12.810 1.00 93.26 O 25.257 -11.089 -11.353 1.00 94.80 N 25.545 -10.266 -10.180 1.00 94.80 C 24.276 -9.786 -9.451 1.00 94.80 C 24.193 -9.894 -8.231 1.00 94.80 O 26.412 -9.081 -10.613 1.00 94.80 C 26.698 -8.114 -9.488 1.00 94.80 C 26.084 -6.847 -9.457 1.00 94.80 C 27.563 -8.507 -8.454 1.00 94.80 C 26.384 -5.954 -8.412 1.00 94.80 C 27.844 -7.627 -7.393 1.00 94.80 C 27.263 -6.343 -7.381 1.00 94.80 C 27.548 -5.483 -6.371 1.00 94.80 O 23.247 -9.314 -10.169 1.00 95.12 N 21.975 -8.905 -9.537 1.00 95.12 C 21.273 -10.104 -8.875 1.00 95.12 C 20.665 -9.952 -7.812 1.00 95.12 O 21.031 -8.210 -10.550 1.00 95.12 C 21.653 -6.923 -11.134 1.00 95.12 C 19.686 -7.831 -9.891 1.00 95.12 C 20.919 -6.428 -12.390 1.00 95.12 C 21.336 -11.297 -9.485 1.00 93.65 N 20.780 -12.529 -8.896 1.00 93.65 C 21.501 -12.884 -7.598 1.00 93.65 C 20.827 -13.120 -6.598 1.00 93.65 O 20.876 -13.702 -9.883 1.00 93.65 C 19.920 -13.576 -11.075 1.00 93.65 C 20.260 -14.666 -12.097 1.00 93.65 C 19.372 -14.550 -13.334 1.00 93.65 C 19.817 -15.482 -14.396 1.00 93.65 N1+ 22.829 -12.856 -7.610 1.00 93.32 N 23.667 -13.147 -6.446 1.00 93.32 C 23.412 -12.133 -5.323 1.00 93.32 C 23.185 -12.524 -4.179 1.00 93.32 O 25.152 -13.134 -6.846 1.00 93.32 C 25.573 -14.204 -7.862 1.00 93.32 C 24.748 -15.073 -8.229 1.00 93.32 O 26.751 -14.133 -8.286 1.00 93.32 O1- 23.334 -10.835 -5.652 1.00 92.92 N 22.970 -9.787 -4.694 1.00 92.92 C 21.612 -10.062 -4.042 1.00 92.92 C 21.484 -9.975 -2.822 1.00 92.92 O 22.918 -8.412 -5.380 1.00 92.92 C 24.258 -7.697 -5.603 1.00 92.92 C 23.937 -6.357 -6.271 1.00 92.92 C 24.994 -7.416 -4.290 1.00 92.92 C 20.603 -10.424 -4.841 1.00 91.89 N 19.259 -10.731 -4.337 1.00 91.89 C 19.286 -11.896 -3.342 1.00 91.89 C 18.676 -11.784 -2.281 1.00 91.89 O 18.325 -10.966 -5.533 1.00 91.89 C 16.861 -11.129 -5.109 1.00 91.89 C 15.925 -11.138 -6.324 1.00 91.89 C 14.466 -11.194 -5.852 1.00 91.89 C 13.500 -10.957 -6.963 1.00 91.89 N1+ 20.024 -12.963 -3.654 1.00 90.01 N 20.211 -14.117 -2.755 1.00 90.01 C 20.946 -13.716 -1.479 1.00 90.01 C 20.482 -14.052 -0.393 1.00 90.01 O 20.947 -15.267 -3.468 1.00 90.01 C 21.259 -16.437 -2.528 1.00 90.01 C 20.075 -15.830 -4.589 1.00 90.01 C 22.037 -12.952 -1.598 1.00 89.62 N 22.849 -12.509 -0.454 1.00 89.62 C 22.072 -11.646 0.545 1.00 89.62 C 22.353 -11.663 1.736 1.00 89.62 O 24.094 -11.761 -0.949 1.00 89.62 C 23.810 -10.461 -1.443 1.00 89.62 O 21.042 -10.940 0.077 1.00 87.19 N 20.158 -10.115 0.908 1.00 87.19 C 19.006 -10.924 1.541 1.00 87.19 C 18.087 -10.365 2.144 1.00 87.19 O 19.696 -8.916 0.063 1.00 87.19 C 20.849 -7.915 -0.149 1.00 87.19 C 21.230 -7.137 1.112 1.00 87.19 C 22.372 -6.626 1.143 1.00 87.19 O 20.370 -6.960 2.002 1.00 87.19 O1- 19.045 -12.255 1.415 1.00 81.17 N 18.065 -13.184 1.977 1.00 81.17 C 16.803 -13.339 1.128 1.00 81.17 C 15.832 -13.965 1.560 1.00 81.17 O 16.778 -12.790 -0.090 1.00 79.34 N 15.652 -12.972 -0.997 1.00 79.34 C 15.885 -14.184 -1.895 1.00 79.34 C 16.798 -14.222 -2.715 1.00 79.34 O 15.371 -11.707 -1.815 1.00 79.34 C 15.064 -10.481 -0.985 1.00 79.34 C 13.777 -10.292 -0.448 1.00 79.34 C 16.080 -9.547 -0.718 1.00 79.34 C 13.510 -9.174 0.363 1.00 79.34 C 15.814 -8.434 0.097 1.00 79.34 C 14.534 -8.252 0.641 1.00 79.34 C 14.978 -15.158 -1.827 1.00 72.66 N 14.985 -16.263 -2.780 1.00 72.66 C 14.860 -15.781 -4.233 1.00 72.66 C 14.198 -14.777 -4.536 1.00 72.66 O 15.435 -16.551 -5.159 1.00 71.11 N 15.339 -16.338 -6.605 1.00 71.11 C 13.943 -16.700 -7.129 1.00 71.11 C 13.774 -17.594 -7.958 1.00 71.11 O 16.471 -17.112 -7.315 1.00 71.11 C 17.852 -16.463 -7.174 1.00 71.11 C 18.916 -17.403 -7.736 1.00 71.11 C 17.958 -15.125 -7.915 1.00 71.11 C 12.922 -15.955 -6.703 1.00 70.96 N 11.582 -16.035 -7.291 1.00 70.96 C 11.601 -15.481 -8.716 1.00 70.96 C 12.272 -14.485 -9.005 1.00 70.96 O 10.545 -15.338 -6.397 1.00 70.96 C 10.384 -16.073 -5.055 1.00 70.96 C 9.281 -15.440 -4.199 1.00 70.96 C 9.110 -16.166 -2.923 1.00 70.96 N 8.275 -15.875 -1.940 1.00 70.96 C 7.454 -14.860 -2.012 1.00 70.96 N1+ 8.259 -16.585 -0.847 1.00 70.96 N 10.879 -16.146 -9.608 1.00 75.07 N 10.720 -15.734 -11.004 1.00 75.07 C 9.785 -14.532 -11.069 1.00 75.07 C 8.605 -14.640 -10.744 1.00 75.07 O 10.187 -16.903 -11.844 1.00 75.07 C 10.206 -16.609 -13.336 1.00 75.07 C 11.020 -18.016 -11.632 1.00 75.07 O 10.317 -13.373 -11.451 1.00 83.12 N 9.558 -12.138 -11.652 1.00 83.12 C 9.532 -11.738 -13.124 1.00 83.12 C 10.302 -12.264 -13.932 1.00 83.12 O 10.150 -11.027 -10.797 1.00 83.12 C 11.454 -10.703 -11.231 1.00 83.12 O 8.646 -10.811 -13.500 1.00 89.16 N 8.507 -10.377 -14.893 1.00 89.16 C 9.819 -9.816 -15.458 1.00 89.16 C 10.283 -10.271 -16.506 1.00 89.16 O 7.382 -9.340 -15.004 1.00 89.16 C 7.320 -8.676 -16.366 1.00 89.16 C 7.788 -7.357 -16.525 1.00 89.16 C 6.836 -9.389 -17.481 1.00 89.16 C 7.746 -6.738 -17.787 1.00 89.16 C 6.815 -8.781 -18.752 1.00 89.16 C 7.258 -7.451 -18.903 1.00 89.16 C 7.198 -6.838 -20.115 1.00 89.16 O 10.448 -8.870 -14.751 1.00 93.39 N 11.674 -8.223 -15.222 1.00 93.39 C 12.854 -9.180 -15.249 1.00 93.39 C 13.601 -9.176 -16.225 1.00 93.39 O 11.980 -6.989 -14.375 1.00 93.39 C 10.978 -5.902 -14.571 1.00 93.39 C 10.086 -5.477 -13.653 1.00 93.39 C 10.737 -5.115 -15.775 1.00 93.39 C 9.646 -4.233 -15.519 1.00 93.39 C 11.340 -5.050 -17.051 1.00 93.39 C 9.284 -4.500 -14.213 1.00 93.39 N 9.164 -3.341 -16.490 1.00 93.39 C 10.881 -4.141 -18.024 1.00 93.39 C 9.792 -3.293 -17.748 1.00 93.39 C 12.966 -10.067 -14.256 1.00 91.29 N 13.967 -11.135 -14.278 1.00 91.29 C 13.768 -12.070 -15.467 1.00 91.29 C 14.710 -12.295 -16.209 1.00 91.29 O 13.928 -11.902 -12.959 1.00 91.29 C 14.947 -13.043 -12.989 1.00 91.29 C 14.827 -13.881 -11.732 1.00 91.29 C 15.464 -15.190 -11.938 1.00 91.29 N 15.394 -16.189 -11.086 1.00 91.29 C 14.660 -16.083 -10.021 1.00 91.29 N1+ 16.021 -17.310 -11.288 1.00 91.29 N 12.555 -12.576 -15.691 1.00 91.28 N 12.275 -13.491 -16.816 1.00 91.28 C 12.562 -12.811 -18.153 1.00 91.28 C 13.062 -13.431 -19.093 1.00 91.28 O 10.811 -13.959 -16.826 1.00 91.28 C 10.598 -15.160 -17.746 1.00 91.28 C 10.410 -14.390 -15.554 1.00 91.28 O 12.278 -11.507 -18.246 1.00 91.68 N 12.631 -10.698 -19.410 1.00 91.68 C 14.149 -10.583 -19.573 1.00 91.68 C 14.621 -10.801 -20.686 1.00 91.68 O 11.914 -9.345 -19.318 1.00 91.68 C 12.040 -8.552 -20.623 1.00 91.68 C 11.079 -7.357 -20.615 1.00 91.68 C 11.283 -6.525 -21.886 1.00 91.68 C 10.328 -5.393 -21.955 1.00 91.68 N1+ 14.896 -10.332 -18.501 1.00 92.19 N 16.357 -10.317 -18.519 1.00 92.19 C 16.947 -11.683 -18.908 1.00 92.19 C 17.778 -11.745 -19.807 1.00 92.19 O 16.871 -9.849 -17.153 1.00 92.19 C 16.442 -12.777 -18.333 1.00 91.86 N 16.838 -14.149 -18.672 1.00 91.86 C 16.576 -14.451 -20.156 1.00 91.86 C 17.421 -15.036 -20.829 1.00 91.86 O 16.085 -15.152 -17.772 1.00 91.86 C 16.559 -15.172 -16.308 1.00 91.86 C 17.765 -14.955 -16.061 1.00 91.86 O 15.735 -15.455 -15.405 1.00 91.86 O1- 15.446 -13.988 -20.708 1.00 90.06 N 15.161 -14.129 -22.143 1.00 90.06 C 16.126 -13.318 -23.016 1.00 90.06 C 16.515 -13.768 -24.090 1.00 90.06 O 13.695 -13.785 -22.453 1.00 90.06 C 13.397 -12.394 -22.491 1.00 90.06 O 16.534 -12.125 -22.571 1.00 89.09 N 17.516 -11.313 -23.300 1.00 89.09 C 18.872 -12.001 -23.280 1.00 89.09 C 19.464 -12.129 -24.341 1.00 89.09 O 17.586 -9.869 -22.764 1.00 89.09 C 16.279 -9.139 -23.143 1.00 89.09 C 18.798 -9.110 -23.343 1.00 89.09 C 16.110 -7.788 -22.445 1.00 89.09 C 19.315 -12.489 -22.123 1.00 89.21 N 20.595 -13.172 -21.994 1.00 89.21 C 20.640 -14.454 -22.836 1.00 89.21 C 21.535 -14.606 -23.660 1.00 89.21 O 20.859 -13.437 -20.506 1.00 89.21 C 22.149 -14.179 -20.246 1.00 89.21 C 22.139 -15.381 -19.512 1.00 89.21 C 23.354 -13.702 -20.799 1.00 89.21 C 23.326 -16.116 -19.354 1.00 89.21 C 24.532 -14.450 -20.660 1.00 89.21 C 24.514 -15.656 -19.947 1.00 89.21 C 19.615 -15.313 -22.726 1.00 86.41 N 19.557 -16.611 -23.420 1.00 86.41 C 19.643 -16.513 -24.947 1.00 86.41 C 20.192 -17.405 -25.576 1.00 86.41 O 18.277 -17.349 -22.986 1.00 86.41 C 18.222 -18.766 -23.576 1.00 86.41 C 17.080 -19.611 -23.002 1.00 86.41 C 17.226 -21.016 -23.599 1.00 86.41 C 16.291 -21.994 -22.996 1.00 86.41 N1+ 19.054 -15.475 -25.542 1.00 85.51 N 18.958 -15.340 -27.004 1.00 85.51 C 19.694 -14.120 -27.567 1.00 85.51 C 19.589 -13.847 -28.758 1.00 85.51 O 17.480 -15.288 -27.413 1.00 85.51 C 16.647 -16.484 -27.014 1.00 85.51 C 16.830 -17.720 -27.656 1.00 85.51 C 15.657 -16.353 -26.026 1.00 85.51 C 16.010 -18.813 -27.324 1.00 85.51 C 14.840 -17.440 -25.693 1.00 85.51 C 15.005 -18.670 -26.351 1.00 85.51 C 20.316 -13.304 -26.719 1.00 74.82 N 20.926 -12.035 -27.112 1.00 74.82 C 22.443 -12.014 -26.996 1.00 74.82 C 23.074 -11.258 -27.726 1.00 74.82 O 23.042 -12.793 -26.098 1.00 66.24 N 24.494 -12.800 -25.916 1.00 66.24 C 25.084 -14.078 -26.526 1.00 66.24 C 24.730 -15.155 -26.057 1.00 66.24 O 24.847 -12.686 -24.427 1.00 66.24 C 24.260 -11.535 -23.829 1.00 66.24 O 25.990 -13.996 -27.522 1.00 59.20 N 26.759 -15.165 -27.963 1.00 59.20 C 27.791 -15.598 -26.907 1.00 59.20 C 28.268 -16.726 -26.926 1.00 59.20 O 27.422 -14.737 -29.277 1.00 59.20 C 27.579 -13.225 -29.131 1.00 59.20 C 26.369 -12.815 -28.290 1.00 59.20 C 28.125 -14.709 -25.965 1.00 62.32 N 29.121 -14.970 -24.934 1.00 62.32 C 28.594 -15.954 -23.885 1.00 62.32 C 27.622 -15.667 -23.179 1.00 62.32 O 29.552 -13.647 -24.274 1.00 62.32 C 30.240 -12.687 -25.224 1.00 62.32 C 30.317 -11.422 -24.877 1.00 62.32 N 30.695 -13.021 -26.298 1.00 62.32 O 29.310 -17.062 -23.712 1.00 67.59 N 29.184 -17.931 -22.543 1.00 67.59 C 29.541 -17.150 -21.278 1.00 67.59 C 30.516 -16.394 -21.244 1.00 67.59 O 30.083 -19.169 -22.680 1.00 67.59 C 29.565 -20.113 -23.764 1.00 67.59 C 31.387 -18.780 -23.046 1.00 67.59 O 28.741 -17.318 -20.225 1.00 77.71 N 28.990 -16.705 -18.923 1.00 77.71 C 30.302 -17.263 -18.353 1.00 77.71 C 30.354 -18.431 -17.988 1.00 77.71 O 27.790 -17.028 -18.012 1.00 77.71 C 27.732 -16.223 -16.708 1.00 77.71 C 27.391 -14.752 -16.958 1.00 77.71 C 26.634 -16.806 -15.815 1.00 77.71 C 31.363 -16.455 -18.295 1.00 81.24 N 32.628 -16.883 -17.689 1.00 81.24 C 32.691 -16.476 -16.221 1.00 81.24 C 32.361 -15.336 -15.882 1.00 81.24 O 33.835 -16.378 -18.487 1.00 81.24 C 33.962 -14.966 -18.455 1.00 81.24 O 33.185 -17.369 -15.362 1.00 85.94 N 33.436 -17.114 -13.932 1.00 85.94 C 34.227 -15.807 -13.733 1.00 85.94 C 33.849 -14.928 -12.959 1.00 85.94 O 34.246 -18.301 -13.376 1.00 85.94 C 34.190 -18.433 -11.844 1.00 85.94 C 32.882 -19.051 -11.324 1.00 85.94 C 32.548 -18.781 -10.150 1.00 85.94 O 32.194 -19.718 -12.128 1.00 85.94 O1- 35.269 -15.608 -14.559 1.00 87.26 N 36.108 -14.398 -14.573 1.00 87.26 C 35.296 -13.121 -14.820 1.00 87.26 C 35.600 -12.077 -14.243 1.00 87.26 O 37.222 -14.536 -15.634 1.00 87.26 C 38.245 -15.646 -15.319 1.00 87.26 C 39.387 -15.701 -16.354 1.00 87.26 C 40.376 -16.827 -15.999 1.00 87.26 C 41.499 -16.959 -16.970 1.00 87.26 N1+ 34.271 -13.173 -15.676 1.00 86.20 N 33.410 -12.015 -15.953 1.00 86.20 C 32.459 -11.696 -14.797 1.00 86.20 C 32.244 -10.516 -14.513 1.00 86.20 O 32.640 -12.191 -17.266 1.00 86.20 C 31.604 -13.149 -17.182 1.00 86.20 O 31.945 -12.719 -14.102 1.00 87.30 N 31.105 -12.557 -12.905 1.00 87.30 C 31.936 -11.953 -11.774 1.00 87.30 C 31.513 -10.978 -11.157 1.00 87.30 O 30.489 -13.903 -12.457 1.00 87.30 C 29.586 -14.517 -13.550 1.00 87.30 C 29.676 -13.700 -11.158 1.00 87.30 C 29.288 -15.995 -13.262 1.00 87.30 C 33.142 -12.466 -11.546 1.00 89.50 N 34.027 -11.956 -10.499 1.00 89.50 C 34.455 -10.510 -10.782 1.00 89.50 C 34.424 -9.644 -9.905 1.00 89.50 O 35.225 -12.909 -10.370 1.00 89.50 C 36.135 -12.583 -9.180 1.00 89.50 C 35.382 -12.479 -7.842 1.00 89.50 C 35.842 -11.646 -7.031 1.00 89.50 O 34.323 -13.131 -7.676 1.00 89.50 O1- 34.743 -10.191 -12.049 1.00 90.35 N 34.973 -8.807 -12.479 1.00 90.35 C 33.748 -7.920 -12.234 1.00 90.35 C 33.917 -6.780 -11.805 1.00 90.35 O 35.415 -8.810 -13.945 1.00 90.35 C 35.851 -7.420 -14.425 1.00 90.35 C 36.453 -7.520 -15.830 1.00 90.35 C 36.962 -6.155 -16.302 1.00 90.35 C 37.658 -6.271 -17.611 1.00 90.35 N1+ 32.534 -8.422 -12.470 1.00 90.73 N 31.306 -7.693 -12.159 1.00 90.73 C 31.167 -7.441 -10.650 1.00 90.73 C 30.884 -6.310 -10.264 1.00 90.73 O 30.088 -8.439 -12.722 1.00 90.73 C 31.432 -8.444 -9.801 1.00 90.25 N 31.391 -8.314 -8.333 1.00 90.25 C 32.356 -7.244 -7.829 1.00 90.25 C 31.934 -6.354 -7.090 1.00 90.25 O 31.696 -9.665 -7.662 1.00 90.25 C 30.550 -10.675 -7.800 1.00 90.25 C 30.970 -12.022 -7.212 1.00 90.25 C 29.944 -13.064 -7.409 1.00 90.25 N 30.102 -14.339 -7.109 1.00 90.25 C 31.199 -14.787 -6.562 1.00 90.25 N1+ 29.152 -15.183 -7.380 1.00 90.25 N 33.611 -7.291 -8.287 1.00 89.05 N 34.659 -6.330 -7.908 1.00 89.05 C 34.355 -4.906 -8.373 1.00 89.05 C 34.604 -3.961 -7.636 1.00 89.05 O 36.022 -6.800 -8.447 1.00 89.05 C 36.532 -8.044 -7.703 1.00 89.05 C 37.921 -8.489 -8.187 1.00 89.05 C 38.321 -9.741 -7.394 1.00 89.05 C 39.689 -10.230 -7.700 1.00 89.05 N1+ 33.830 -4.733 -9.587 1.00 92.04 N 33.569 -3.404 -10.147 1.00 92.04 C 32.256 -2.803 -9.637 1.00 92.04 C 32.249 -1.697 -9.107 1.00 92.04 O 33.603 -3.476 -11.686 1.00 92.04 C 34.999 -3.717 -12.290 1.00 92.04 C 34.880 -3.784 -13.816 1.00 92.04 C 36.007 -2.614 -11.956 1.00 92.04 C 31.139 -3.518 -9.786 1.00 92.12 N 29.805 -2.961 -9.544 1.00 92.12 C 29.552 -2.657 -8.074 1.00 92.12 C 28.837 -1.705 -7.783 1.00 92.12 O 28.722 -3.917 -10.060 1.00 92.12 C 28.754 -4.156 -11.574 1.00 92.12 C 27.677 -5.168 -11.947 1.00 92.12 C 28.491 -2.877 -12.362 1.00 92.12 C 30.154 -3.412 -7.153 1.00 88.56 N 30.035 -3.137 -5.723 1.00 88.56 C 30.676 -1.812 -5.300 1.00 88.56 C 30.299 -1.273 -4.262 1.00 88.56 O 31.615 -1.273 -6.082 1.00 89.70 N 32.403 -0.090 -5.720 1.00 89.70 C 31.846 1.220 -6.293 1.00 89.70 C 32.377 2.284 -5.998 1.00 89.70 O 33.868 -0.341 -6.114 1.00 89.70 C 34.520 -1.431 -5.279 1.00 89.70 C 35.694 -1.866 -5.664 1.00 89.70 N 33.993 -1.899 -4.279 1.00 89.70 O 30.767 1.166 -7.079 1.00 91.52 N 30.121 2.366 -7.607 1.00 91.52 C 29.285 3.038 -6.510 1.00 91.52 C 28.157 2.615 -6.271 1.00 91.52 O 29.286 1.975 -8.840 1.00 91.52 C 28.686 3.172 -9.598 1.00 91.52 C 29.763 4.101 -10.166 1.00 91.52 C 27.835 2.668 -10.764 1.00 91.52 C 29.842 4.046 -5.840 1.00 90.65 N 29.216 4.801 -4.740 1.00 90.65 C 29.294 6.299 -5.068 1.00 90.65 C 30.254 6.737 -5.699 1.00 90.65 O 29.906 4.470 -3.393 1.00 90.65 C 29.851 2.955 -3.080 1.00 90.65 C 29.266 5.256 -2.233 1.00 90.65 C 30.730 2.539 -1.894 1.00 90.65 C 28.273 7.064 -4.679 1.00 86.92 N 28.244 8.517 -4.858 1.00 86.92 C 29.193 9.207 -3.866 1.00 86.92 C 29.172 8.867 -2.683 1.00 86.92 O 26.802 9.019 -4.699 1.00 86.92 C 29.991 10.167 -4.341 1.00 72.44 N 31.042 10.823 -3.550 1.00 72.44 C 30.493 11.675 -2.399 1.00 72.44 C 31.055 11.650 -1.313 1.00 72.44 O 31.925 11.682 -4.466 1.00 72.44 C 32.310 10.945 -5.621 1.00 72.44 O 29.361 12.357 -2.605 1.00 69.99 N 28.753 13.277 -1.622 1.00 69.99 C 27.247 13.017 -1.439 1.00 69.99 C 26.464 13.918 -1.167 1.00 69.99 O 29.031 14.735 -2.025 1.00 69.99 C 30.532 15.062 -2.006 1.00 69.99 C 30.841 16.530 -2.329 1.00 69.99 C 32.046 16.860 -2.303 1.00 69.99 O 29.897 17.291 -2.630 1.00 69.99 O1- 26.789 11.786 -1.694 1.00 67.57 N 25.352 11.466 -1.673 1.00 67.57 C 24.536 12.101 -2.811 1.00 67.57 C 23.374 11.748 -3.007 1.00 67.57 O 25.142 12.980 -3.609 1.00 80.77 N 24.512 13.611 -4.760 1.00 80.77 C 24.400 12.637 -5.940 1.00 80.77 C 25.381 12.044 -6.401 1.00 80.77 O 25.249 14.898 -5.164 1.00 80.77 C 25.294 15.944 -4.033 1.00 80.77 C 25.654 17.358 -4.524 1.00 80.77 C 25.361 18.325 -3.781 1.00 80.77 O 26.034 17.512 -5.704 1.00 80.77 O1- 23.182 12.468 -6.457 1.00 90.44 N 22.959 11.820 -7.740 1.00 90.44 C 22.820 12.895 -8.815 1.00 90.44 C 21.985 13.788 -8.703 1.00 90.44 O 21.740 10.885 -7.693 1.00 90.44 C 21.693 9.914 -6.522 1.00 90.44 C 22.821 9.139 -6.191 1.00 90.44 C 20.522 9.791 -5.750 1.00 90.44 C 22.776 8.249 -5.104 1.00 90.44 C 20.476 8.907 -4.658 1.00 90.44 C 21.606 8.136 -4.332 1.00 90.44 C 23.602 12.764 -9.882 1.00 89.58 N 23.575 13.666 -11.033 1.00 89.58 C 23.327 12.884 -12.312 1.00 89.58 C 23.877 11.798 -12.540 1.00 89.58 O 24.892 14.434 -11.122 1.00 89.58 C 25.081 15.028 -12.400 1.00 89.58 O 22.532 13.459 -13.214 1.00 88.23 N 22.327 12.872 -14.540 1.00 88.23 C 23.625 12.772 -15.346 1.00 88.23 C 23.748 11.872 -16.193 1.00 88.23 O 21.290 13.691 -15.307 1.00 88.23 C 19.913 13.600 -14.741 1.00 88.23 C 19.238 14.605 -14.139 1.00 88.23 C 19.058 12.424 -14.632 1.00 88.23 C 17.859 12.800 -13.958 1.00 88.23 C 19.206 11.063 -14.987 1.00 88.23 C 18.003 14.152 -13.725 1.00 88.23 N 16.871 11.864 -13.621 1.00 88.23 C 18.227 10.113 -14.645 1.00 88.23 C 17.077 10.512 -13.943 1.00 88.23 C 24.581 13.665 -15.063 1.00 87.44 N 25.872 13.826 -15.741 1.00 87.44 C 26.995 13.020 -15.078 1.00 87.44 C 28.160 13.323 -15.323 1.00 87.44 O 26.228 15.320 -15.830 1.00 87.44 C 25.214 16.165 -16.616 1.00 87.44 C 25.593 17.648 -16.507 1.00 87.44 C 24.524 18.543 -17.147 1.00 87.44 C 24.733 19.971 -16.789 1.00 87.44 N1+ 26.654 11.933 -14.375 1.00 87.55 N 27.602 11.013 -13.722 1.00 87.55 C 28.851 10.713 -14.566 1.00 87.55 C 29.953 10.788 -14.058 1.00 87.55 O 26.878 9.712 -13.303 1.00 87.55 C 27.757 8.892 -12.334 1.00 87.55 C 26.430 8.862 -14.511 1.00 87.55 C 27.128 7.562 -11.906 1.00 87.55 C 28.733 10.469 -15.880 1.00 85.92 N 29.909 10.195 -16.718 1.00 85.92 C 30.943 11.331 -16.726 1.00 85.92 C 32.142 11.061 -16.777 1.00 85.92 O 29.482 9.903 -18.161 1.00 85.92 C 30.639 9.649 -19.080 1.00 85.92 C 31.365 10.594 -19.723 1.00 85.92 C 31.275 8.376 -19.400 1.00 85.92 C 32.383 8.631 -20.262 1.00 85.92 C 31.007 7.030 -19.076 1.00 85.92 C 32.390 9.998 -20.430 1.00 85.92 N 33.190 7.603 -20.767 1.00 85.92 C 31.807 5.989 -19.581 1.00 85.92 C 32.895 6.275 -20.425 1.00 85.92 C 30.497 12.593 -16.737 1.00 87.44 N 31.394 13.756 -16.762 1.00 87.44 C 32.069 13.947 -15.406 1.00 87.44 C 33.271 14.179 -15.373 1.00 87.44 O 30.637 15.030 -17.175 1.00 87.44 C 30.138 14.986 -18.629 1.00 87.44 C 29.589 16.357 -19.055 1.00 87.44 C 29.170 16.350 -20.532 1.00 87.44 C 28.817 17.713 -21.013 1.00 87.44 N1+ 31.296 13.787 -14.340 1.00 86.16 N 31.711 13.982 -12.945 1.00 86.16 C 32.508 12.791 -12.387 1.00 86.16 C 33.231 12.925 -11.407 1.00 86.16 O 30.436 14.217 -12.125 1.00 86.16 C 29.721 15.533 -12.504 1.00 86.16 C 28.242 15.537 -12.102 1.00 86.16 C 27.469 16.345 -12.670 1.00 86.16 O 27.821 14.619 -11.374 1.00 86.16 O1- 32.418 11.624 -13.029 1.00 85.97 N 33.106 10.412 -12.600 1.00 85.97 C 34.616 10.451 -12.819 1.00 85.97 C 35.119 10.789 -13.902 1.00 85.97 O 32.536 9.187 -13.319 1.00 85.97 C 31.367 8.711 -12.686 1.00 85.97 O 35.334 9.945 -11.819 1.00 88.00 N 36.757 9.636 -11.906 1.00 88.00 C 37.051 8.458 -12.869 1.00 88.00 C 36.158 7.825 -13.451 1.00 88.00 O 37.327 9.432 -10.486 1.00 88.00 C 36.849 8.156 -9.784 1.00 88.00 C 36.694 7.124 -10.472 1.00 88.00 O 36.698 8.146 -8.555 1.00 88.00 O1- 38.337 8.150 -13.063 1.00 86.44 N 38.783 7.055 -13.941 1.00 86.44 C 38.258 5.676 -13.501 1.00 86.44 C 37.903 4.836 -14.341 1.00 86.44 O 40.315 7.050 -13.990 1.00 86.44 C 40.779 6.137 -14.966 1.00 86.44 O 38.145 5.447 -12.189 1.00 88.05 N 37.677 4.187 -11.607 1.00 88.05 C 36.182 3.974 -11.867 1.00 88.05 C 35.781 2.923 -12.377 1.00 88.05 O 38.018 4.140 -10.108 1.00 88.05 C 37.065 4.788 -9.293 1.00 88.05 O 35.364 5.003 -11.650 1.00 89.35 N 33.937 5.000 -11.925 1.00 89.35 C 33.687 4.874 -13.430 1.00 89.35 C 32.904 4.018 -13.845 1.00 89.35 O 33.304 6.270 -11.356 1.00 89.35 C 33.245 6.326 -9.818 1.00 89.35 C 32.502 7.574 -9.339 1.00 89.35 C 32.040 7.624 -8.112 1.00 89.35 N 32.267 8.506 -10.092 1.00 89.35 O 34.428 5.598 -14.283 1.00 90.09 N 34.340 5.459 -15.753 1.00 90.09 C 34.618 4.031 -16.229 1.00 90.09 C 33.961 3.560 -17.160 1.00 90.09 O 35.286 6.463 -16.434 1.00 90.09 C 34.679 7.873 -16.441 1.00 90.09 C 35.683 8.946 -16.885 1.00 90.09 C 34.944 10.290 -16.936 1.00 90.09 C 35.804 11.457 -16.640 1.00 90.09 N1+ 35.534 3.293 -15.591 1.00 90.74 N 35.761 1.860 -15.873 1.00 90.74 C 34.519 1.014 -15.570 1.00 90.74 C 34.190 0.124 -16.357 1.00 90.74 O 36.989 1.387 -15.078 1.00 90.74 C 37.437 -0.051 -15.383 1.00 90.74 C 38.673 -0.366 -14.526 1.00 90.74 C 39.229 -1.775 -14.764 1.00 90.74 C 40.478 -1.982 -13.979 1.00 90.74 N1+ 33.808 1.309 -14.481 1.00 92.39 N 32.549 0.642 -14.114 1.00 92.39 C 31.433 1.004 -15.109 1.00 92.39 C 30.732 0.118 -15.600 1.00 92.39 O 32.140 0.977 -12.658 1.00 92.39 C 33.255 0.644 -11.637 1.00 92.39 C 30.875 0.172 -12.318 1.00 92.39 C 33.027 1.237 -10.241 1.00 92.39 C 31.307 2.281 -15.482 1.00 92.14 N 30.313 2.750 -16.456 1.00 92.14 C 30.506 2.095 -17.833 1.00 92.14 C 29.541 1.612 -18.431 1.00 92.14 O 30.376 4.285 -16.565 1.00 92.14 C 30.042 5.063 -15.277 1.00 92.14 C 30.138 6.565 -15.532 1.00 92.14 C 28.644 4.750 -14.764 1.00 92.14 C 31.757 1.976 -18.304 1.00 90.29 N 32.093 1.210 -19.519 1.00 90.29 C 31.717 -0.265 -19.386 1.00 90.29 C 31.186 -0.838 -20.333 1.00 90.29 O 33.589 1.329 -19.849 1.00 90.29 C 34.002 2.713 -20.368 1.00 90.29 C 35.503 2.715 -20.680 1.00 90.29 C 36.011 4.064 -21.009 1.00 90.29 N 36.964 4.737 -20.380 1.00 90.29 C 37.531 4.303 -19.287 1.00 90.29 N1+ 37.384 5.877 -20.847 1.00 90.29 N 31.950 -0.879 -18.222 1.00 90.49 N 31.574 -2.275 -17.973 1.00 90.49 C 30.057 -2.494 -18.079 1.00 90.49 C 29.631 -3.489 -18.668 1.00 90.49 O 32.114 -2.732 -16.609 1.00 90.49 C 31.874 -4.201 -16.326 1.00 90.49 C 30.730 -4.613 -15.617 1.00 90.49 C 32.788 -5.161 -16.798 1.00 90.49 C 30.502 -5.981 -15.384 1.00 90.49 C 32.559 -6.528 -16.565 1.00 90.49 C 31.417 -6.938 -15.857 1.00 90.49 C 29.255 -1.548 -17.581 1.00 89.39 N 27.794 -1.537 -17.712 1.00 89.39 C 27.299 -1.207 -19.131 1.00 89.39 C 26.126 -1.431 -19.428 1.00 89.39 O 27.218 -0.525 -16.700 1.00 89.39 C 27.269 -0.985 -15.234 1.00 89.39 C 26.831 0.159 -14.321 1.00 89.39 C 26.327 -2.172 -15.007 1.00 89.39 C 28.163 -0.683 -20.005 1.00 85.00 N 27.795 -0.145 -21.320 1.00 85.00 C 27.096 1.221 -21.257 1.00 85.00 C 26.513 1.667 -22.245 1.00 85.00 O 27.164 1.908 -20.115 1.00 85.65 N 26.606 3.245 -19.913 1.00 85.65 C 27.625 4.313 -20.344 1.00 85.65 C 28.191 5.027 -19.522 1.00 85.65 O 26.141 3.399 -18.456 1.00 85.65 C 24.859 2.171 -18.048 1.00 85.65 S 27.893 4.379 -21.649 1.00 80.90 N 28.823 5.333 -22.270 1.00 80.90 C 28.004 6.400 -23.021 1.00 80.90 C 27.045 6.010 -23.708 1.00 80.90 O 29.809 4.587 -23.200 1.00 80.90 C 30.572 3.482 -22.431 1.00 80.90 C 30.804 5.567 -23.838 1.00 80.90 C 31.443 2.595 -23.328 1.00 80.90 C 28.355 7.704 -22.915 1.00 73.97 N 27.738 8.774 -23.694 1.00 73.97 C 27.679 8.416 -25.171 1.00 73.97 C 28.604 7.805 -25.704 1.00 73.97 O 28.592 10.027 -23.483 1.00 73.97 C 29.220 9.785 -22.120 1.00 73.97 C 29.386 8.266 -22.057 1.00 73.97 C 26.604 8.814 -25.842 1.00 64.37 N 26.413 8.554 -27.273 1.00 64.37 C 27.565 9.074 -28.128 1.00 64.37 C 27.935 8.397 -29.074 1.00 64.37 O 25.102 9.182 -27.756 1.00 64.37 C 23.905 8.346 -27.302 1.00 64.37 C 24.950 10.467 -27.188 1.00 64.37 O 28.190 10.192 -27.748 1.00 61.55 N 29.356 10.777 -28.436 1.00 61.55 C 30.612 9.901 -28.410 1.00 61.55 C 31.468 10.047 -29.270 1.00 61.55 O 29.726 12.127 -27.802 1.00 61.55 C 28.626 13.174 -27.972 1.00 61.55 C 29.937 11.988 -26.408 1.00 61.55 O 30.741 9.009 -27.423 1.00 59.33 N 31.896 8.118 -27.249 1.00 59.33 C 31.595 6.673 -27.647 1.00 59.33 C 32.490 5.827 -27.636 1.00 59.33 O 32.345 8.162 -25.781 1.00 59.33 C 32.956 9.486 -25.312 1.00 59.33 C 33.240 9.367 -23.814 1.00 59.33 C 34.267 9.809 -26.025 1.00 59.33 C 30.335 6.349 -27.951 1.00 55.32 N 30.029 5.071 -28.590 1.00 55.32 C 30.636 5.155 -29.980 1.00 55.32 C 30.280 6.076 -30.703 1.00 55.32 O 28.514 4.834 -28.653 1.00 55.32 C 27.929 4.604 -27.256 1.00 55.32 C 26.423 4.361 -27.344 1.00 55.32 C 25.825 4.285 -25.998 1.00 55.32 N 24.620 3.833 -25.712 1.00 55.32 C 23.773 3.485 -26.642 1.00 55.32 N1+ 24.246 3.721 -24.470 1.00 55.32 N 31.540 4.233 -30.329 1.00 42.73 N 32.053 4.137 -31.693 1.00 42.73 C 30.863 4.183 -32.646 1.00 42.73 C 30.034 3.270 -32.675 1.00 42.73 O 32.857 2.845 -31.901 1.00 42.73 C 34.451 2.940 -31.040 1.00 42.73 S 30.767 5.289 -33.369 1.00 39.81 N 29.837 5.513 -34.458 1.00 39.81 C 30.297 4.647 -35.618 1.00 39.81 C 30.703 5.141 -36.660 1.00 39.81 O 29.803 7.008 -34.828 1.00 39.81 C 29.019 7.835 -33.811 1.00 39.81 C 31.119 7.509 -34.870 1.00 39.81 O 30.173 3.328 -35.478 1.00 36.39 N 29.980 2.465 -36.638 1.00 36.39 C 28.531 2.665 -37.131 1.00 36.39 C 27.774 1.721 -37.328 1.00 36.39 O 30.365 1.009 -36.310 1.00 36.39 C 31.864 0.785 -36.181 1.00 36.39 C 32.284 -0.443 -35.993 1.00 36.39 N 32.681 1.684 -36.238 1.00 36.39 O 28.107 3.922 -37.288 1.00 35.83 N 26.794 4.320 -37.807 1.00 35.83 C 26.716 4.169 -39.323 1.00 35.83 C 25.623 4.256 -39.870 1.00 35.83 O 26.418 5.750 -37.377 1.00 35.83 C 25.840 5.761 -35.964 1.00 35.83 C 27.557 6.579 -37.355 1.00 35.83 O 27.821 3.836 -39.999 1.00 32.11 N 27.789 3.426 -41.401 1.00 32.11 C 27.178 2.023 -41.617 1.00 32.11 C 26.803 1.707 -42.739 1.00 32.11 O 29.203 3.541 -41.980 1.00 32.11 C 27.020 1.192 -40.574 1.00 33.14 N 26.409 -0.142 -40.720 1.00 33.14 C 25.129 -0.379 -39.904 1.00 33.14 C 24.444 -1.355 -40.176 1.00 33.14 O 27.464 -1.238 -40.490 1.00 33.14 C 28.385 -1.386 -41.715 1.00 33.14 C 29.355 -2.560 -41.605 1.00 33.14 C 30.010 -2.928 -42.684 1.00 33.14 N 29.558 -3.154 -40.558 1.00 33.14 O 24.738 0.504 -38.975 1.00 32.15 N 23.608 0.219 -38.060 1.00 32.15 C 22.317 1.021 -38.357 1.00 32.15 C 21.273 0.793 -37.741 1.00 32.15 O 24.099 0.357 -36.601 1.00 32.15 C 23.687 -0.781 -35.644 1.00 32.15 C 23.161 -1.828 -36.084 1.00 32.15 O 23.928 -0.602 -34.426 1.00 32.15 O1- 22.338 1.949 -39.329 1.00 35.47 N 21.100 2.526 -39.893 1.00 35.47 C 20.416 1.601 -40.894 1.00 35.47 C 19.201 1.686 -41.089 1.00 35.47 O 21.345 3.898 -40.517 1.00 35.47 C 21.462 4.962 -39.467 1.00 35.47 C 22.525 5.796 -39.264 1.00 35.47 C 20.522 5.249 -38.503 1.00 35.47 N 21.010 6.233 -37.734 1.00 35.47 C 22.231 6.593 -38.152 1.00 35.47 N 21.152 0.621 -41.410 1.00 34.81 N 20.519 -0.656 -41.638 1.00 34.81 C 20.208 -1.189 -40.240 1.00 34.81 C 21.034 -1.853 -39.624 1.00 34.81 O 21.433 -1.579 -42.459 1.00 34.81 C 21.726 -0.998 -43.854 1.00 34.81 C 22.593 -1.912 -44.714 1.00 34.81 C 23.115 -1.421 -45.816 1.00 34.81 N 22.804 -3.077 -44.430 1.00 34.81 O 18.976 -0.962 -39.743 1.00 34.25 N 18.315 -2.044 -38.997 1.00 34.25 C 18.729 -3.286 -39.768 1.00 34.25 C 18.413 -3.292 -40.961 1.00 34.25 O 16.784 -1.959 -39.096 1.00 34.25 C 16.112 -1.325 -37.882 1.00 34.25 C 14.608 -1.275 -38.168 1.00 34.25 C 13.836 -0.673 -36.998 1.00 34.25 C 12.434 -0.406 -37.404 1.00 34.25 N1+ 19.448 -4.255 -39.180 1.00 36.39 N 19.720 -5.469 -39.904 1.00 36.39 C 18.327 -5.934 -40.292 1.00 36.39 C 17.517 -6.277 -39.425 1.00 36.39 O 20.463 -6.403 -38.940 1.00 36.39 C 20.879 -5.505 -37.774 1.00 36.39 C 19.912 -4.326 -37.810 1.00 36.39 C 17.994 -5.835 -41.576 1.00 44.43 N 16.711 -6.280 -42.121 1.00 44.43 C 16.523 -7.761 -41.785 1.00 44.43 C 15.403 -8.253 -41.722 1.00 44.43 O 16.650 -5.981 -43.632 1.00 44.43 C 16.182 -4.546 -43.884 1.00 44.43 C 17.937 -6.086 -44.204 1.00 44.43 O 17.621 -8.411 -41.381 1.00 45.03 N 17.734 -9.771 -40.915 1.00 45.03 C 18.123 -9.935 -39.432 1.00 45.03 C 18.605 -11.010 -39.083 1.00 45.03 O 18.725 -10.461 -41.863 1.00 45.03 C 18.221 -10.473 -43.294 1.00 45.03 C 19.101 -10.586 -44.257 1.00 45.03 N 17.037 -10.393 -43.562 1.00 45.03 O 17.917 -8.966 -38.518 1.00 46.50 N 17.867 -9.347 -37.097 1.00 46.50 C 16.592 -10.184 -36.967 1.00 46.50 C 15.506 -9.604 -37.050 1.00 46.50 O 17.883 -8.158 -36.115 1.00 46.50 C 18.141 -8.648 -34.671 1.00 46.50 C 19.623 -8.959 -34.436 1.00 46.50 C 17.721 -7.605 -33.633 1.00 46.50 C 16.674 -11.523 -36.841 1.00 50.68 N 15.558 -12.362 -37.236 1.00 50.68 C 14.347 -11.975 -36.400 1.00 50.68 C 14.444 -11.950 -35.165 1.00 50.68 O 16.010 -13.807 -36.989 1.00 50.68 C 17.532 -13.728 -37.031 1.00 50.68 C 17.818 -12.342 -36.465 1.00 50.68 C 13.197 -11.721 -37.030 1.00 59.76 N 11.910 -11.631 -36.317 1.00 59.76 C 11.768 -12.791 -35.304 1.00 59.76 C 11.259 -12.622 -34.190 1.00 59.76 O 10.762 -11.640 -37.337 1.00 59.76 C 10.639 -12.927 -37.902 1.00 59.76 O 12.408 -13.917 -35.638 1.00 79.80 N 12.623 -15.111 -34.843 1.00 79.80 C 13.273 -14.886 -33.452 1.00 79.80 C 12.852 -15.523 -32.497 1.00 79.80 O 13.431 -16.083 -35.730 1.00 79.80 C 13.218 -17.535 -35.366 1.00 79.80 C 13.720 -18.452 -36.158 1.00 79.80 N 12.653 -17.874 -34.347 1.00 79.80 O 14.237 -13.976 -33.232 1.00 81.14 N 14.816 -13.767 -31.877 1.00 81.14 C 13.776 -13.161 -30.926 1.00 81.14 C 13.650 -13.576 -29.769 1.00 81.14 O 16.099 -12.897 -31.902 1.00 81.14 C 17.222 -13.632 -32.664 1.00 81.14 C 16.566 -12.546 -30.468 1.00 81.14 C 18.546 -12.858 -32.753 1.00 81.14 C 13.029 -12.160 -31.396 1.00 82.16 N 11.961 -11.529 -30.610 1.00 82.16 C 10.863 -12.540 -30.275 1.00 82.16 C 10.373 -12.584 -29.137 1.00 82.16 O 11.380 -10.353 -31.396 1.00 82.16 C 10.461 -9.620 -30.605 1.00 82.16 O 10.542 -13.398 -31.245 1.00 85.54 N 9.604 -14.501 -31.098 1.00 85.54 C 10.108 -15.559 -30.104 1.00 85.54 C 9.435 -15.786 -29.101 1.00 85.54 O 9.312 -15.058 -32.490 1.00 85.54 C 8.231 -16.136 -32.431 1.00 85.54 C 7.807 -16.625 -33.806 1.00 85.54 C 7.064 -17.702 -33.851 1.00 85.54 N 8.124 -16.035 -34.826 1.00 85.54 O 11.331 -16.081 -30.252 1.00 88.13 N 11.977 -17.015 -29.304 1.00 88.13 C 11.991 -16.478 -27.871 1.00 88.13 C 11.658 -17.184 -26.917 1.00 88.13 O 13.420 -17.298 -29.766 1.00 88.13 C 13.487 -18.278 -30.947 1.00 88.13 C 14.922 -18.445 -31.477 1.00 88.13 C 14.925 -19.459 -32.631 1.00 88.13 C 16.282 -19.727 -33.181 1.00 88.13 N1+ 12.308 -15.188 -27.693 1.00 86.86 N 12.240 -14.509 -26.385 1.00 86.86 C 10.817 -14.514 -25.818 1.00 86.86 C 10.646 -14.678 -24.609 1.00 86.86 O 12.775 -13.070 -26.510 1.00 86.86 C 14.301 -13.018 -26.621 1.00 86.86 C 14.843 -11.603 -26.874 1.00 86.86 C 16.369 -11.691 -27.037 1.00 86.86 C 17.007 -10.399 -27.400 1.00 86.86 N1+ 9.799 -14.294 -26.655 1.00 87.46 N 8.378 -14.312 -26.268 1.00 87.46 C 7.918 -15.721 -25.899 1.00 87.46 C 7.349 -15.888 -24.824 1.00 87.46 O 7.542 -13.706 -27.410 1.00 87.46 C 6.072 -13.468 -27.032 1.00 87.46 C 5.240 -13.005 -28.239 1.00 87.46 C 5.745 -11.754 -28.847 1.00 87.46 N 5.082 -10.979 -29.693 1.00 87.46 C 3.863 -11.234 -30.074 1.00 87.46 N1+ 5.649 -9.917 -30.192 1.00 87.46 N 8.235 -16.712 -26.721 1.00 89.22 N 7.925 -18.128 -26.496 1.00 89.22 C 8.539 -18.644 -25.196 1.00 89.22 C 7.846 -19.255 -24.386 1.00 89.22 O 8.459 -18.950 -27.670 1.00 89.22 C 7.621 -18.732 -28.938 1.00 89.22 C 8.260 -19.358 -30.183 1.00 89.22 C 7.649 -19.186 -31.261 1.00 89.22 O 9.375 -19.913 -30.043 1.00 89.22 O1- 9.802 -18.307 -24.918 1.00 89.28 N 10.443 -18.647 -23.649 1.00 89.28 C 9.690 -18.075 -22.442 1.00 89.28 C 9.410 -18.800 -21.486 1.00 89.28 O 11.886 -18.146 -23.672 1.00 89.28 C 12.613 -18.306 -22.351 1.00 89.28 C 12.716 -17.217 -21.463 1.00 89.28 C 13.140 -19.560 -21.993 1.00 89.28 C 13.374 -17.368 -20.227 1.00 89.28 C 13.788 -19.719 -20.753 1.00 89.28 C 13.912 -18.624 -19.873 1.00 89.28 C 14.543 -18.799 -18.684 1.00 89.28 O 9.311 -16.789 -22.482 1.00 87.43 N 8.533 -16.168 -21.395 1.00 87.43 C 7.159 -16.822 -21.239 1.00 87.43 C 6.731 -17.050 -20.108 1.00 87.43 O 8.381 -14.659 -21.624 1.00 87.43 C 9.704 -13.897 -21.462 1.00 87.43 C 9.499 -12.378 -21.484 1.00 87.43 C 8.859 -11.914 -22.730 1.00 87.43 N 9.469 -11.560 -23.846 1.00 87.43 C 10.767 -11.566 -23.972 1.00 87.43 N1+ 8.770 -11.170 -24.876 1.00 87.43 N 6.499 -17.155 -22.347 1.00 89.34 N 5.211 -17.848 -22.340 1.00 89.34 C 5.335 -19.256 -21.745 1.00 89.34 C 4.516 -19.626 -20.908 1.00 89.34 O 4.634 -17.878 -23.765 1.00 89.34 C 4.130 -16.527 -24.243 1.00 89.34 C 3.738 -16.439 -25.492 1.00 89.34 N 4.056 -15.552 -23.508 1.00 89.34 O 6.394 -20.001 -22.082 1.00 89.34 N 6.684 -21.321 -21.506 1.00 89.34 C 6.921 -21.247 -19.999 1.00 89.34 C 6.338 -22.030 -19.256 1.00 89.34 O 7.872 -21.946 -22.255 1.00 89.34 C 8.174 -23.374 -21.773 1.00 89.34 C 9.298 -24.005 -22.603 1.00 89.34 C 9.671 -25.338 -22.086 1.00 89.34 N 10.559 -26.168 -22.612 1.00 89.34 C 11.218 -25.882 -23.701 1.00 89.34 N1+ 10.804 -27.320 -22.053 1.00 89.34 N 7.719 -20.285 -19.529 1.00 86.84 N 7.946 -20.067 -18.087 1.00 86.84 C 6.633 -19.740 -17.368 1.00 86.84 C 6.355 -20.302 -16.308 1.00 86.84 O 8.994 -18.960 -17.855 1.00 86.84 C 9.119 -18.571 -16.377 1.00 86.84 C 10.384 -19.418 -18.316 1.00 86.84 C 5.797 -18.875 -17.960 1.00 84.62 N 4.463 -18.558 -17.433 1.00 84.62 C 3.578 -19.809 -17.374 1.00 84.62 C 2.981 -20.057 -16.334 1.00 84.62 O 3.836 -17.427 -18.268 1.00 84.62 C 2.497 -16.933 -17.695 1.00 84.62 C 1.875 -15.849 -18.591 1.00 84.62 C 0.504 -15.421 -18.044 1.00 84.62 C -0.202 -14.482 -18.958 1.00 84.62 N1+ 3.543 -20.615 -18.435 1.00 85.92 N 2.741 -21.836 -18.509 1.00 85.92 C 3.146 -22.874 -17.449 1.00 85.92 C 2.275 -23.416 -16.773 1.00 85.92 O 2.847 -22.408 -19.928 1.00 85.92 C 4.450 -23.093 -17.237 1.00 85.41 N 4.962 -23.987 -16.181 1.00 85.41 C 4.515 -23.496 -14.798 1.00 85.41 C 4.012 -24.279 -13.993 1.00 85.41 O 6.504 -24.106 -16.273 1.00 85.41 C 6.915 -24.849 -17.566 1.00 85.41 C 7.086 -24.843 -15.049 1.00 85.41 C 8.404 -24.713 -17.913 1.00 85.41 C 4.646 -22.193 -14.527 1.00 81.16 N 4.220 -21.614 -13.255 1.00 81.16 C 2.700 -21.730 -13.039 1.00 81.16 C 2.258 -22.048 -11.935 1.00 81.16 O 4.693 -20.157 -13.199 1.00 81.16 C 1.898 -21.509 -14.086 1.00 81.44 N 0.439 -21.674 -14.041 1.00 81.44 C 0.044 -23.132 -13.812 1.00 81.44 C -0.824 -23.382 -12.979 1.00 81.44 O -0.213 -21.130 -15.323 1.00 81.44 C -1.738 -21.223 -15.300 1.00 81.44 C 0.075 -19.755 -15.459 1.00 81.44 O 0.710 -24.091 -14.469 1.00 81.46 N 0.478 -25.530 -14.269 1.00 81.46 C 0.767 -25.949 -12.824 1.00 81.46 C -0.112 -26.505 -12.176 1.00 81.46 O 1.297 -26.334 -15.296 1.00 81.46 C 1.045 -27.844 -15.158 1.00 81.46 C 1.804 -28.680 -16.200 1.00 81.46 C 1.584 -30.162 -15.862 1.00 81.46 C 2.286 -31.098 -16.774 1.00 81.46 N1+ 1.927 -25.581 -12.279 1.00 81.61 N 2.284 -25.894 -10.891 1.00 81.61 C 1.328 -25.248 -9.864 1.00 81.61 C 1.058 -25.809 -8.801 1.00 81.61 O 3.726 -25.426 -10.663 1.00 81.61 C 0.804 -24.053 -10.161 1.00 79.39 N -0.213 -23.413 -9.330 1.00 79.39 C -1.574 -24.127 -9.416 1.00 79.39 C -2.264 -24.227 -8.401 1.00 79.39 O -0.325 -21.937 -9.729 1.00 79.39 C -1.948 -24.627 -10.598 1.00 78.88 N -3.172 -25.397 -10.811 1.00 78.88 C -3.105 -26.752 -10.097 1.00 78.88 C -4.042 -27.090 -9.387 1.00 78.88 O -3.426 -25.543 -12.323 1.00 78.88 C -4.733 -26.278 -12.681 1.00 78.88 C -5.976 -25.500 -12.241 1.00 78.88 C -4.807 -26.476 -14.196 1.00 78.88 C -1.987 -27.476 -10.187 1.00 79.69 N -1.778 -28.766 -9.502 1.00 79.69 C -2.003 -28.664 -7.988 1.00 79.69 C -2.714 -29.480 -7.407 1.00 79.69 O -0.353 -29.264 -9.781 1.00 79.69 C -0.206 -29.810 -11.210 1.00 79.69 C 1.254 -30.045 -11.630 1.00 79.69 C 1.447 -30.466 -12.795 1.00 79.69 O 2.169 -29.705 -10.846 1.00 79.69 O1- -1.499 -27.600 -7.349 1.00 77.36 N -1.747 -27.337 -5.918 1.00 77.36 C -3.216 -27.055 -5.596 1.00 77.36 C -3.645 -27.286 -4.470 1.00 77.36 O -0.884 -26.163 -5.445 1.00 77.36 C 0.592 -26.559 -5.389 1.00 77.36 C 1.448 -25.393 -4.896 1.00 77.36 C 2.885 -25.900 -4.789 1.00 77.36 C 3.801 -24.860 -4.268 1.00 77.36 N1+ -3.976 -26.529 -6.558 1.00 79.62 N -5.413 -26.256 -6.421 1.00 79.62 C -6.270 -27.489 -6.711 1.00 79.62 C -7.387 -27.537 -6.222 1.00 79.62 O -5.817 -25.091 -7.335 1.00 79.62 C -5.250 -23.738 -6.882 1.00 79.62 C -5.479 -22.717 -8.001 1.00 79.62 C -5.118 -21.346 -7.596 1.00 79.62 N -5.593 -20.253 -8.169 1.00 79.62 C -6.230 -20.270 -9.303 1.00 79.62 N1+ -5.500 -19.102 -7.582 1.00 79.62 N -5.772 -28.491 -7.438 1.00 80.17 N -6.558 -29.682 -7.800 1.00 80.17 C -7.120 -30.423 -6.585 1.00 80.17 C -8.279 -30.818 -6.610 1.00 80.17 O -5.715 -30.669 -8.617 1.00 80.17 C -5.357 -30.177 -10.017 1.00 80.17 C -6.757 -29.937 -11.138 1.00 80.17 S -6.106 -30.841 -12.569 1.00 80.17 C -6.329 -30.583 -5.517 1.00 80.94 N -6.797 -31.232 -4.288 1.00 80.94 C -8.010 -30.503 -3.686 1.00 80.94 C -8.979 -31.136 -3.292 1.00 80.94 O -5.629 -31.294 -3.294 1.00 80.94 C -7.965 -29.173 -3.711 1.00 82.31 N -9.007 -28.279 -3.220 1.00 82.31 C -10.264 -28.249 -4.093 1.00 82.31 C -11.365 -28.119 -3.578 1.00 82.31 O -8.377 -26.886 -3.143 1.00 82.31 C -7.623 -26.664 -1.868 1.00 82.31 C -8.371 -26.466 -0.701 1.00 82.31 C -6.218 -26.750 -1.823 1.00 82.31 C -7.733 -26.415 0.537 1.00 82.31 C -5.569 -26.687 -0.575 1.00 82.31 C -6.343 -26.571 0.602 1.00 82.31 C -5.760 -26.475 1.806 1.00 82.31 O -10.100 -28.368 -5.412 1.00 78.73 N -11.223 -28.426 -6.356 1.00 78.73 C -12.009 -29.733 -6.187 1.00 78.73 C -13.217 -29.733 -6.380 1.00 78.73 O -10.704 -28.258 -7.802 1.00 78.73 C -10.107 -26.849 -8.020 1.00 78.73 C -11.815 -28.488 -8.847 1.00 78.73 C -9.118 -26.794 -9.191 1.00 78.73 C -11.329 -30.842 -5.855 1.00 80.15 N -11.980 -32.140 -5.624 1.00 80.15 C -12.778 -32.158 -4.323 1.00 80.15 C -13.931 -32.560 -4.338 1.00 80.15 O -10.952 -33.278 -5.613 1.00 80.15 C -10.402 -33.601 -7.007 1.00 80.15 C -9.495 -34.835 -6.924 1.00 80.15 C -8.979 -35.223 -8.313 1.00 80.15 C -8.315 -36.552 -8.289 1.00 80.15 N1+ -12.141 -31.759 -3.226 1.00 81.76 N -12.756 -31.701 -1.902 1.00 81.76 C -12.053 -30.614 -1.080 1.00 81.76 C -10.901 -30.768 -0.653 1.00 81.76 O -12.664 -33.080 -1.238 1.00 81.76 C -13.444 -33.151 0.075 1.00 81.76 C -13.454 -32.138 0.815 1.00 81.76 O -13.920 -34.264 0.368 1.00 81.76 O1- -12.729 -29.477 -0.919 1.00 83.61 N -12.162 -28.299 -0.275 1.00 83.61 C -11.880 -28.550 1.212 1.00 83.61 C -10.783 -28.240 1.686 1.00 83.61 O -13.125 -27.122 -0.490 1.00 83.61 C -12.645 -25.817 0.124 1.00 83.61 C -13.567 -24.940 0.440 1.00 83.61 N -11.462 -25.538 0.293 1.00 83.61 O -12.830 -29.149 1.928 1.00 84.23 N -12.747 -29.341 3.375 1.00 84.23 C -11.713 -30.404 3.740 1.00 84.23 C -10.865 -30.173 4.611 1.00 84.23 O -14.131 -29.693 3.937 1.00 84.23 C -15.081 -28.491 3.964 1.00 84.23 C -14.576 -27.349 4.102 1.00 84.23 O -16.301 -28.730 3.895 1.00 84.23 O1- -11.683 -31.532 3.022 1.00 87.15 N -10.670 -32.575 3.240 1.00 87.15 C -9.279 -32.058 2.886 1.00 87.15 C -8.325 -32.295 3.636 1.00 87.15 O -11.009 -33.856 2.456 1.00 87.15 C -9.890 -34.907 2.546 1.00 87.15 C -12.281 -34.500 3.016 1.00 87.15 C -9.123 -31.324 1.779 1.00 86.99 N -7.836 -30.732 1.418 1.00 86.99 C -7.388 -29.674 2.437 1.00 86.99 C -6.204 -29.612 2.778 1.00 86.99 O -7.924 -30.145 0.008 1.00 86.99 C -8.314 -28.862 2.953 1.00 89.72 N -8.040 -27.879 3.997 1.00 89.72 C -7.599 -28.537 5.303 1.00 89.72 C -6.531 -28.186 5.810 1.00 89.72 O -9.254 -26.964 4.188 1.00 89.72 C -9.031 -25.862 5.201 1.00 89.72 C -9.899 -25.751 6.300 1.00 89.72 C -7.957 -24.958 5.060 1.00 89.72 C -9.698 -24.744 7.255 1.00 89.72 C -7.750 -23.956 6.025 1.00 89.72 C -8.625 -23.849 7.118 1.00 89.72 C -8.334 -29.545 5.787 1.00 88.24 N -7.979 -30.305 6.994 1.00 88.24 C -6.612 -30.979 6.847 1.00 88.24 C -5.760 -30.826 7.720 1.00 88.24 O -9.110 -31.300 7.317 1.00 88.24 C -8.919 -31.974 8.689 1.00 88.24 C -10.105 -32.879 9.071 1.00 88.24 C -9.856 -33.520 10.450 1.00 88.24 C -10.942 -34.446 10.875 1.00 88.24 N1+ -6.342 -31.630 5.708 1.00 89.11 N -5.023 -32.221 5.409 1.00 89.11 C -3.905 -31.177 5.389 1.00 89.11 C -2.810 -31.452 5.876 1.00 89.11 O -5.068 -32.983 4.074 1.00 89.11 C -5.801 -34.328 4.197 1.00 89.11 C -5.896 -35.051 2.845 1.00 89.11 C -6.629 -36.384 3.047 1.00 89.11 C -6.845 -37.130 1.780 1.00 89.11 N1+ -4.148 -29.984 4.836 1.00 90.39 N -3.147 -28.909 4.825 1.00 90.39 C -2.862 -28.385 6.244 1.00 90.39 C -1.695 -28.158 6.568 1.00 90.39 O -3.526 -27.777 3.832 1.00 90.39 C -2.292 -26.906 3.521 1.00 90.39 C -2.435 -25.685 2.577 1.00 90.39 C -1.539 -24.816 2.683 1.00 90.39 O -3.277 -25.582 1.663 1.00 90.39 O1- -3.887 -28.245 7.095 1.00 91.40 N -3.742 -27.833 8.498 1.00 91.40 C -2.937 -28.846 9.323 1.00 91.40 C -1.987 -28.446 9.999 1.00 91.40 O -5.130 -27.632 9.133 1.00 91.40 C -5.899 -26.381 8.677 1.00 91.40 C -7.307 -26.435 9.266 1.00 91.40 C -5.244 -25.085 9.159 1.00 91.40 C -3.264 -30.137 9.210 1.00 91.62 N -2.559 -31.233 9.902 1.00 91.62 C -1.106 -31.322 9.434 1.00 91.62 C -0.179 -31.269 10.238 1.00 91.62 O -3.300 -32.567 9.685 1.00 91.62 C -2.507 -33.758 10.220 1.00 91.62 C -4.659 -32.559 10.396 1.00 91.62 C -0.863 -31.313 8.115 1.00 88.79 N 0.499 -31.323 7.545 1.00 88.79 C 1.347 -30.123 7.988 1.00 88.79 C 2.579 -30.181 7.973 1.00 88.79 O 0.379 -31.383 6.016 1.00 88.79 C 1.749 -31.428 5.326 1.00 88.79 C 1.609 -31.627 3.819 1.00 88.79 C 3.013 -31.685 3.212 1.00 88.79 C 2.964 -32.083 1.786 1.00 88.79 N1+ 0.708 -28.996 8.303 1.00 88.87 N 1.362 -27.783 8.815 1.00 88.87 C 1.454 -27.746 10.340 1.00 88.87 C 2.043 -26.800 10.846 1.00 88.87 O 0.637 -26.547 8.274 1.00 88.87 C 0.941 -26.319 6.792 1.00 88.87 C 0.037 -25.215 6.268 1.00 88.87 C 0.290 -24.888 4.849 1.00 88.87 N 0.780 -23.750 4.415 1.00 88.87 C 1.352 -22.902 5.216 1.00 88.87 N1+ 0.682 -23.442 3.155 1.00 88.87 N 0.923 -28.753 11.045 1.00 88.19 N 0.836 -28.815 12.514 1.00 88.19 C 0.109 -27.608 13.120 1.00 88.19 C 0.406 -27.195 14.233 1.00 88.19 O 2.225 -29.042 13.136 1.00 88.19 C 2.957 -30.276 12.592 1.00 88.19 C 4.328 -30.376 13.267 1.00 88.19 C 5.078 -31.560 12.809 1.00 88.19 N 6.307 -31.885 13.170 1.00 88.19 C 7.021 -31.127 13.957 1.00 88.19 N1+ 6.844 -32.996 12.752 1.00 88.19 N -0.826 -27.022 12.367 1.00 88.01 N -1.694 -25.944 12.867 1.00 88.01 C -2.829 -26.551 13.694 1.00 88.01 C -3.255 -25.969 14.682 1.00 88.01 O -2.232 -25.086 11.702 1.00 88.01 C -1.075 -24.346 10.992 1.00 88.01 C -3.273 -24.060 12.192 1.00 88.01 C -1.466 -23.785 9.620 1.00 88.01 C -3.301 -27.731 13.299 1.00 85.78 N -4.230 -28.558 14.072 1.00 85.78 C -3.526 -29.886 14.337 1.00 85.78 C -2.750 -30.337 13.488 1.00 85.78 O -5.572 -28.723 13.330 1.00 85.78 C -6.593 -29.527 14.141 1.00 85.78 C -6.212 -27.355 13.046 1.00 85.78 C -3.755 -30.477 15.512 1.00 73.59 N -3.266 -31.821 15.823 1.00 73.59 C -3.805 -32.863 14.839 1.00 73.59 C -4.824 -32.639 14.180 1.00 73.59 O -3.110 -33.993 14.721 1.00 61.89 N -3.715 -35.186 14.126 1.00 61.89 C -4.911 -35.573 15.005 1.00 61.89 C -4.766 -35.685 16.221 1.00 61.89 O -2.668 -36.310 13.973 1.00 61.89 C -1.740 -35.987 12.787 1.00 61.89 C -0.597 -36.977 12.519 1.00 61.89 C 0.118 -36.731 11.514 1.00 61.89 O -0.409 -37.925 13.306 1.00 61.89 O1- -6.100 -35.630 14.396 1.00 53.88 N -7.318 -36.138 15.046 1.00 53.88 C -7.346 -37.638 14.876 1.00 53.88 C -7.127 -38.055 13.712 1.00 53.88 O -8.608 -35.523 14.488 1.00 53.88 C -9.849 -36.081 15.199 1.00 53.88 C -8.614 -34.000 14.664 1.00 53.88 C -7.673 -38.280 15.890 1.00 53.88 O1- id="glmol01_rep" style="display: none;"> ,74,79,87,93,102,217,224,228,443,447,456,461,470,479,487,494,505,515,519,526,535,547,556,567,576,585,592,601,610,622,630,636,687,693,704,777,786,795,806,811,820,831,839,851,859,870,876,885,894,901,909,921,929,938,949,958,967,975,983,990,995,1004,1010,1019,1028,1039,1046,1057,1066,1074,1082,1089,1097,1105,1113,1121,1398,1405,1414,1422,1433,1442,1450,1462,1470,1474,1482,1490,1496,1610,1618,1625,1636,1645,1653,1661,1672,1682,1690,1753,1761,1768,1793,1798,1807,1814,1826,1834,1842,1848,1856,1868,1879,1890,1896,1905,1934,1945,1950,1956,1962,1973,1982,1990,2001,2006,2015,2023,2032,2037,2081,2088,2096,2103,2114,2122,2130,2138,2146,2157,2165,2172,2179,2188,2196,2202,2266,2273,2281,2289,2298,2305,2313,2324,2336,2344,2355,2361,2369,2380,2388,2433,2440,2448,2455,2469,2476,2483,2489,2501,2509,2547,2556,2563,2569,2580,2589,2597,2609,2617,2624,2633,2641,2645,2654,2664,2703,2710,2718,2729,2736,2748,2755,2762,2770,2781,2824,2829,2838,2846,2852,2860,2869,2876,2884,2889,2894,2937,2948,2957,2964,2975,2987,2995,3001,3009,3018,3029,3037,3045,3053,3080,3088,3097,3104,3109,3115,3124,3132,3140,3148,3160,3164,3175,3184,3261,3267,3276,3281,3289,3297,3307,3318,3326,3337,3344,3355,3360,3368,3392,3398,3406,3414,3419,3430,3438,3444,3456,3464,3471,3477,3488,3497,3505,3558,3564,3573,3580,3591,3600,3608,3616,3627,3636,3641,3649,3656,3667,3711,3722,3726,3731,3738,3746,3755,3767,3775,3784,3792,3800,3809,3816,3822,3882,3894,3908,3919,3926,3935,3940,3948,3954,3962,3973,3982,3993,4039,4048,4057,4063,4071,4080,4089,4094,4105,4114,4122,4130,4134,4231,4239,4253,4262,4285,4291,4297,4306,4315,4324,4332,4340,4351,4362,4395,4402,4409,4543,4549,4557,4565,4571,4580,4589,4598,4609,4618,4630,4641,4649,4660,4667,4676,4681,4689,4694,4701,4710,4715,4720,4728,4737,4746,4757,4765,4770,4782,4790,4807,4815,4823,4830,4835,4846,4855,4864,4873,4881,4888,4897 4692,4700-4953 .560,-50.689,50.689,0.450,20.000,-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

[575, Phos]	Guo X, Niemi NM, Coon JJ, Pagliarini DJ (2017a) Integrative proteomics and biochemical analyses define Ptc6p as the Saccharomyces cerevisiae pyruvate dehydrogenase phosphatase. J Biol Chem 292:11751–11759. (Publication) (All modifications)
[575, Phos]	Frankovsky, J., Vozáriková, V., Nosek, J., Tomáška, Ľ. (2021a). Mitochondrial protein phosphorylation in yeast revisited.Mitochondrion 57:148-162. (Publication) (All modifications)