O13525 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	Ubiquinone biosynthesis protein COQ4, mitochondrial (Coenzyme Q biosynthesis protein 4)
Uniprot ID	O13525
Systematic gene name	YDR204W
Standard gene name	COQ4
Gene names	COQ4 YDR204W YD8142.01
Description from SGD	YDR204W COQ4 SGDID:S000002612, Chr IV from 858137-859144, Genome Release 64-3-1, Verified ORF, "Protein with a role in ubiquinone (Coenzyme Q) biosynthesis; possibly functioning in stabilization of Coq7p; located on matrix face of mitochondrial inner membrane; component of a mitochondrial ubiquinone-synthesizing complex; human homolog COQ4 can complement yeast coq4 null mutant"
Protein length	335
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MLRLSLLRST ATLPVKCQRR GLILPAAAMY TLGSLIFGKE ARLADAMERG
ELHNKNVDYA KEAEERTELR IRALANTRPM EPRYNGHVPL HRYEKLLLFA
ISGWNSFFHP EDGYNIVQLG EATALPVFLE NLKQTMLSDS SGRRILKEQP
NITTEILHMD KLAKLPHNTF GYVYYQWLKR ENVSPDTRAP VKFIDDPMHA
YIFKRYRQCH DFYHAITNMP IIIEGEITIK ALEGANLGVP MAILGGILAP
LRLKKVQRKR LYNIYLPWAV RTGLSCKPLI NVYWEEMLEK DVTALRKELK
ITLPPDLRTM RKERAALRKE IDAKYNSQKR ATTPA

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;"> 98.859 53.241 -23.772 1.00 37.43 N 99.122 51.988 -23.031 1.00 37.43 C 97.908 51.672 -22.163 1.00 37.43 C 97.664 52.407 -21.218 1.00 37.43 O 100.382 52.115 -22.152 1.00 37.43 C 101.692 52.020 -22.944 1.00 37.43 C 103.145 52.054 -21.864 1.00 37.43 S 104.455 51.588 -23.029 1.00 37.43 C 97.119 50.646 -22.504 1.00 34.76 N 96.065 50.118 -21.627 1.00 34.76 C 96.695 49.209 -20.562 1.00 34.76 C 97.435 48.291 -20.914 1.00 34.76 O 95.028 49.293 -22.427 1.00 34.76 C 93.849 50.083 -23.031 1.00 34.76 C 94.071 50.392 -24.512 1.00 34.76 C 92.557 49.273 -22.905 1.00 34.76 C 96.358 49.412 -19.285 1.00 40.40 N 96.526 48.403 -18.228 1.00 40.40 C 95.315 48.403 -17.298 1.00 40.40 C 94.926 49.436 -16.767 1.00 40.40 O 97.841 48.588 -17.442 1.00 40.40 C 98.971 47.722 -18.026 1.00 40.40 C 100.228 47.763 -17.150 1.00 40.40 C 101.286 46.883 -17.695 1.00 40.40 N 102.097 46.089 -17.016 1.00 40.40 C 102.051 45.985 -15.717 1.00 40.40 N1+ 102.989 45.370 -17.639 1.00 40.40 N 94.743 47.210 -17.151 1.00 38.52 N 93.735 46.820 -16.171 1.00 38.52 C 94.300 46.880 -14.741 1.00 38.52 C 95.424 46.429 -14.530 1.00 38.52 O 93.365 45.336 -16.414 1.00 38.52 C 92.442 44.965 -17.588 1.00 38.52 C 93.164 44.878 -18.935 1.00 38.52 C 91.842 43.586 -17.300 1.00 38.52 C 93.466 47.235 -13.755 1.00 42.47 N 93.469 46.556 -12.444 1.00 42.47 C 92.200 46.820 -11.617 1.00 42.47 C 92.018 47.894 -11.057 1.00 42.47 O 94.709 46.866 -11.588 1.00 42.47 C 94.897 48.249 -11.391 1.00 42.47 O 91.369 45.773 -11.549 1.00 42.91 N 90.702 45.192 -10.370 1.00 42.91 C 90.013 46.127 -9.354 1.00 42.91 C 90.624 46.596 -8.396 1.00 42.91 O 91.715 44.252 -9.684 1.00 42.91 C 92.009 42.979 -10.508 1.00 42.91 C 93.499 42.645 -10.499 1.00 42.91 C 91.233 41.783 -9.955 1.00 42.91 C 88.682 46.215 -9.469 1.00 42.15 N 87.793 46.544 -8.354 1.00 42.15 C 87.692 45.348 -7.392 1.00 42.15 C 87.280 44.256 -7.789 1.00 42.15 O 86.384 46.924 -8.861 1.00 42.15 C 86.247 48.368 -9.385 1.00 42.15 C 86.407 48.449 -10.904 1.00 42.15 C 84.867 48.920 -9.024 1.00 42.15 C 88.029 45.564 -6.114 1.00 40.47 N 87.727 44.649 -5.004 1.00 40.47 C 86.635 45.232 -4.106 1.00 40.47 C 86.728 46.353 -3.626 1.00 40.47 O 88.983 44.283 -4.187 1.00 40.47 C 89.568 42.922 -4.598 1.00 40.47 C 90.718 42.528 -3.662 1.00 40.47 C 91.263 41.193 -3.990 1.00 40.47 N 91.778 40.315 -3.144 1.00 40.47 C 91.853 40.542 -1.862 1.00 40.47 N1+ 92.236 39.173 -3.574 1.00 40.47 N 85.643 44.376 -3.896 1.00 39.12 N 84.535 44.385 -2.943 1.00 39.12 C 84.890 44.823 -1.514 1.00 39.12 C 85.819 44.279 -0.916 1.00 39.12 O 84.072 42.918 -2.914 1.00 39.12 C 83.160 42.625 -1.883 1.00 39.12 O 84.040 45.664 -0.917 1.00 43.48 N 83.858 45.777 0.538 1.00 43.48 C 82.400 45.486 0.896 1.00 43.48 C 81.463 46.076 0.366 1.00 43.48 O 84.317 47.128 1.108 1.00 43.48 C 85.841 47.238 1.102 1.00 43.48 C 83.815 48.201 0.352 1.00 43.48 O 82.228 44.497 1.769 1.00 43.32 N 80.955 43.995 2.255 1.00 43.32 C 80.360 44.931 3.319 1.00 43.32 C 81.053 45.312 4.262 1.00 43.32 O 81.218 42.595 2.828 1.00 43.32 C 79.067 45.236 3.214 1.00 45.68 N 78.277 45.851 4.288 1.00 45.68 C 77.257 44.840 4.818 1.00 45.68 C 76.512 44.207 4.072 1.00 45.68 O 77.632 47.177 3.856 1.00 45.68 C 78.683 48.277 3.698 1.00 45.68 C 76.983 47.048 2.614 1.00 45.68 O 77.292 44.634 6.136 1.00 43.94 N 76.480 43.673 6.885 1.00 43.94 C 74.998 44.105 6.938 1.00 43.94 C 74.726 45.278 7.197 1.00 43.94 O 77.054 43.581 8.313 1.00 43.94 C 78.395 42.829 8.411 1.00 43.94 C 79.148 43.243 9.674 1.00 43.94 C 78.163 41.317 8.461 1.00 43.94 C 74.028 43.185 6.768 1.00 46.73 N 72.607 43.515 6.818 1.00 46.73 C 72.067 43.538 8.259 1.00 46.73 C 72.214 42.583 9.024 1.00 46.73 O 71.926 42.461 5.942 1.00 46.73 C 72.815 41.229 6.117 1.00 46.73 C 74.213 41.806 6.342 1.00 46.73 C 71.384 44.629 8.613 1.00 45.51 N 70.658 44.799 9.881 1.00 45.51 C 69.445 43.858 9.915 1.00 45.51 C 68.541 43.946 9.083 1.00 45.51 O 70.247 46.278 10.067 1.00 45.51 C 69.396 46.505 11.323 1.00 45.51 C 71.489 47.175 10.178 1.00 45.51 C 69.408 42.953 10.902 1.00 41.32 N 68.272 42.062 11.200 1.00 41.32 C 67.072 42.883 11.696 1.00 41.32 C 66.985 43.205 12.876 1.00 41.32 O 68.692 41.009 12.256 1.00 41.32 C 69.003 39.619 11.682 1.00 41.32 C 69.439 38.670 12.814 1.00 41.32 C 69.621 37.232 12.306 1.00 41.32 C 70.155 36.337 13.368 1.00 41.32 N1+ 66.118 43.183 10.816 1.00 39.98 N 64.801 43.682 11.217 1.00 39.98 C 63.874 42.493 11.544 1.00 39.98 C 63.668 41.595 10.724 1.00 39.98 O 64.246 44.607 10.128 1.00 39.98 C 62.843 45.549 10.794 1.00 39.98 S 63.351 42.456 12.769 1.00 41.77 N 62.516 41.381 13.308 1.00 41.77 C 61.120 41.404 12.644 1.00 41.77 C 60.301 42.276 12.929 1.00 41.77 O 62.461 41.566 14.845 1.00 41.77 C 62.673 40.284 15.666 1.00 41.77 C 62.656 40.559 17.174 1.00 41.77 C 62.942 39.578 18.002 1.00 41.77 N 62.366 41.645 17.644 1.00 41.77 O 60.824 40.444 11.754 1.00 46.32 N 59.488 40.261 11.149 1.00 46.32 C 58.479 39.822 12.221 1.00 46.32 C 58.422 38.646 12.569 1.00 46.32 O 59.539 39.225 10.000 1.00 46.32 C 59.749 39.830 8.602 1.00 46.32 C 59.705 38.714 7.542 1.00 46.32 C 59.684 39.242 6.162 1.00 46.32 N 59.452 38.547 5.059 1.00 46.32 C 59.245 37.259 5.079 1.00 46.32 N1+ 59.420 39.136 3.897 1.00 46.32 N 57.659 40.745 12.731 1.00 43.19 N 56.451 40.401 13.500 1.00 43.19 C 55.351 39.965 12.528 1.00 43.19 C 54.994 40.709 11.618 1.00 43.19 O 56.006 41.572 14.395 1.00 43.19 C 56.995 41.829 15.547 1.00 43.19 C 56.454 42.901 16.504 1.00 43.19 C 57.370 43.134 17.639 1.00 43.19 N 57.098 43.808 18.745 1.00 43.19 C 55.937 44.364 18.953 1.00 43.19 N1+ 58.002 43.940 19.674 1.00 43.19 N 54.839 38.748 12.700 1.00 42.87 N 53.757 38.193 11.889 1.00 42.87 C 52.425 38.883 12.180 1.00 42.87 C 51.749 38.538 13.140 1.00 42.87 O 52.037 39.839 11.337 1.00 44.55 N 50.735 40.521 11.377 1.00 44.55 C 49.738 39.965 10.338 1.00 44.55 C 48.858 40.684 9.882 1.00 44.55 O 50.948 42.047 11.248 1.00 44.55 C 51.515 42.733 12.503 1.00 44.55 C 51.888 44.177 12.163 1.00 44.55 C 50.498 42.765 13.648 1.00 44.55 C 49.853 38.693 9.934 1.00 49.28 N 49.022 38.151 8.838 1.00 49.28 C 47.616 37.725 9.313 1.00 49.28 C 46.658 37.830 8.554 1.00 49.28 O 49.786 37.060 8.043 1.00 49.28 C 51.120 37.640 7.503 1.00 49.28 C 48.932 36.523 6.878 1.00 49.28 C 51.964 36.675 6.659 1.00 49.28 C 47.439 37.313 10.574 1.00 48.72 N 46.137 36.828 11.060 1.00 48.72 C 45.068 37.903 11.362 1.00 48.72 C 43.916 37.668 10.995 1.00 48.72 O 46.344 35.842 12.226 1.00 48.72 C 46.276 34.366 11.763 1.00 48.72 C 47.546 33.604 12.135 1.00 48.72 C 45.075 33.659 12.390 1.00 48.72 C 45.365 39.079 11.957 1.00 48.27 N 44.311 40.066 12.214 1.00 48.27 C 43.785 40.729 10.928 1.00 48.27 C 42.617 41.111 10.870 1.00 48.27 O 44.913 41.064 13.208 1.00 48.27 C 46.420 40.954 12.984 1.00 48.27 C 46.625 39.505 12.548 1.00 48.27 C 44.600 40.814 9.869 1.00 50.25 N 44.193 41.425 8.603 1.00 50.25 C 43.138 40.591 7.853 1.00 50.25 C 42.170 41.148 7.338 1.00 50.25 O 45.449 41.656 7.754 1.00 50.25 C 43.280 39.260 7.829 1.00 50.22 N 42.349 38.381 7.119 1.00 50.22 C 40.956 38.355 7.772 1.00 50.22 C 39.950 38.448 7.071 1.00 50.22 O 42.967 36.981 7.036 1.00 50.22 C 40.897 38.309 9.110 1.00 50.07 N 39.634 38.338 9.847 1.00 50.07 C 38.893 39.674 9.658 1.00 50.07 C 37.677 39.675 9.451 1.00 50.07 O 39.920 38.042 11.323 1.00 50.07 C 39.619 40.802 9.642 1.00 47.09 N 39.026 42.107 9.333 1.00 47.09 C 38.549 42.211 7.883 1.00 47.09 C 37.484 42.778 7.656 1.00 47.09 O 39.986 43.259 9.661 1.00 47.09 C 40.004 43.567 11.162 1.00 47.09 C 40.378 45.297 11.563 1.00 47.09 S 42.152 45.357 11.216 1.00 47.09 C 39.253 41.618 6.912 1.00 52.03 N 38.778 41.576 5.525 1.00 52.03 C 37.477 40.778 5.397 1.00 52.03 C 36.524 41.260 4.786 1.00 52.03 O 39.862 41.018 4.589 1.00 52.03 C 40.512 42.088 3.737 1.00 52.03 C 39.950 42.426 2.489 1.00 52.03 C 41.655 42.766 4.201 1.00 52.03 C 40.543 43.428 1.699 1.00 52.03 C 42.248 43.773 3.414 1.00 52.03 C 41.692 44.102 2.158 1.00 52.03 C 42.256 45.068 1.388 1.00 52.03 O 37.387 39.591 6.005 1.00 54.87 N 36.173 38.762 5.913 1.00 54.87 C 34.982 39.381 6.639 1.00 54.87 C 33.874 39.379 6.103 1.00 54.87 O 36.406 37.335 6.431 1.00 54.87 C 37.338 36.555 5.503 1.00 54.87 C 36.993 37.313 7.715 1.00 54.87 O 35.197 39.953 7.830 1.00 53.12 N 34.117 40.575 8.598 1.00 53.12 C 33.710 41.924 7.988 1.00 53.12 C 32.521 42.205 7.852 1.00 53.12 O 34.536 40.707 10.075 1.00 53.12 C 33.365 40.446 11.036 1.00 53.12 C 33.147 38.940 11.220 1.00 53.12 C 33.653 41.058 12.405 1.00 53.12 C 34.688 42.714 7.535 1.00 50.29 N 34.467 43.973 6.831 1.00 50.29 C 33.709 43.780 5.518 1.00 50.29 C 32.815 44.557 5.218 1.00 50.29 O 33.958 42.690 4.786 1.00 55.91 N 33.205 42.354 3.565 1.00 55.91 C 31.743 41.988 3.841 1.00 55.91 C 30.875 42.241 3.010 1.00 55.91 O 33.839 41.160 2.850 1.00 55.91 C 35.196 41.386 2.546 1.00 55.91 O 31.442 41.383 4.993 1.00 61.75 N 30.069 41.012 5.350 1.00 61.75 C 29.259 42.207 5.865 1.00 61.75 C 28.060 42.277 5.591 1.00 61.75 O 30.103 39.871 6.380 1.00 61.75 C 30.487 38.509 5.776 1.00 61.75 C 30.794 37.519 6.900 1.00 61.75 C 29.357 37.920 4.923 1.00 61.75 C 29.911 43.128 6.582 1.00 63.37 N 29.280 44.326 7.151 1.00 63.37 C 29.251 45.455 6.108 1.00 63.37 C 28.174 45.877 5.700 1.00 63.37 O 29.964 44.713 8.486 1.00 63.37 C 29.830 43.562 9.519 1.00 63.37 C 29.349 46.006 9.052 1.00 63.37 C 30.681 43.742 10.783 1.00 63.37 C 30.409 45.867 5.586 1.00 65.74 N 30.525 46.963 4.617 1.00 65.74 C 30.320 46.527 3.165 1.00 65.74 C 29.983 47.354 2.331 1.00 65.74 O 31.889 47.653 4.753 1.00 65.74 C 32.157 48.227 6.126 1.00 65.74 C 31.508 49.409 6.522 1.00 65.74 C 33.043 47.584 7.011 1.00 65.74 C 31.751 49.950 7.794 1.00 65.74 C 33.276 48.118 8.291 1.00 65.74 C 32.633 49.306 8.680 1.00 65.74 C 30.489 45.248 2.812 1.00 69.23 N 30.342 44.820 1.412 1.00 69.23 C 28.896 44.839 0.911 1.00 69.23 C 28.670 45.022 -0.284 1.00 69.23 O 27.905 44.702 1.806 1.00 69.93 N 26.499 44.950 1.449 1.00 69.93 C 26.253 46.431 1.190 1.00 69.93 C 25.621 46.749 0.191 1.00 69.93 O 25.541 44.439 2.531 1.00 69.93 C 25.358 42.917 2.472 1.00 69.93 C 24.264 42.509 3.463 1.00 69.93 C 24.027 40.998 3.429 1.00 69.93 C 22.971 40.623 4.400 1.00 69.93 N1+ 26.778 47.304 2.046 1.00 73.31 N 26.655 48.757 1.895 1.00 73.31 C 27.387 49.257 0.647 1.00 73.31 C 26.792 49.987 -0.131 1.00 73.31 O 27.173 49.469 3.150 1.00 73.31 C 26.307 49.158 4.382 1.00 73.31 C 26.769 49.895 5.648 1.00 73.31 C 25.997 49.855 6.632 1.00 73.31 O 27.892 50.451 5.640 1.00 73.31 O1- 28.610 48.788 0.379 1.00 76.22 N 29.380 49.135 -0.816 1.00 76.22 C 28.679 48.683 -2.103 1.00 76.22 C 28.542 49.459 -3.038 1.00 76.22 O 30.778 48.516 -0.700 1.00 76.22 C 28.145 47.453 -2.140 1.00 77.42 N 27.401 46.962 -3.312 1.00 77.42 C 26.100 47.744 -3.536 1.00 77.42 C 25.671 47.895 -4.677 1.00 77.42 O 27.160 45.455 -3.149 1.00 77.42 C 26.734 44.789 -4.464 1.00 77.42 C 26.417 43.301 -4.276 1.00 77.42 C 27.624 42.481 -4.051 1.00 77.42 N 27.649 41.183 -3.818 1.00 77.42 C 26.548 40.493 -3.687 1.00 77.42 N1+ 28.781 40.546 -3.718 1.00 77.42 N 25.471 48.213 -2.457 1.00 75.10 N 24.266 49.039 -2.514 1.00 75.10 C 24.599 50.486 -2.909 1.00 75.10 C 23.859 51.064 -3.694 1.00 75.10 O 23.525 48.906 -1.170 1.00 75.10 C 22.002 49.132 -1.260 1.00 75.10 C 21.273 48.092 -0.402 1.00 75.10 C 21.594 50.520 -0.774 1.00 75.10 C 25.735 51.027 -2.458 1.00 76.26 N 26.273 52.323 -2.867 1.00 76.26 C 26.670 52.332 -4.352 1.00 76.26 C 26.273 53.236 -5.077 1.00 76.26 O 27.462 52.676 -1.964 1.00 76.26 C 27.335 51.284 -4.842 1.00 80.11 N 27.624 51.117 -6.270 1.00 80.11 C 26.327 51.031 -7.097 1.00 80.11 C 26.235 51.576 -8.195 1.00 80.11 O 28.405 49.813 -6.497 1.00 80.11 C 29.875 49.797 -6.079 1.00 80.11 C 30.443 50.864 -5.781 1.00 80.11 O 30.419 48.667 -6.115 1.00 80.11 O1- 25.301 50.341 -6.582 1.00 75.91 N 23.989 50.268 -7.228 1.00 75.91 C 23.234 51.614 -7.181 1.00 75.91 C 22.489 51.924 -8.113 1.00 75.91 O 23.180 49.134 -6.588 1.00 75.91 C 23.442 52.428 -6.133 1.00 72.98 N 22.998 53.829 -6.081 1.00 72.98 C 23.689 54.662 -7.155 1.00 72.98 C 23.000 55.361 -7.894 1.00 72.98 O 23.244 54.487 -4.705 1.00 72.98 C 22.286 54.050 -3.600 1.00 72.98 C 22.558 54.738 -1.950 1.00 72.98 S 22.202 56.482 -2.284 1.00 72.98 C 25.015 54.570 -7.269 1.00 75.47 N 25.805 55.331 -8.245 1.00 75.47 C 25.430 54.971 -9.689 1.00 75.47 C 25.267 55.857 -10.526 1.00 75.47 O 27.300 55.102 -7.970 1.00 75.47 C 28.182 56.020 -8.832 1.00 75.47 C 29.681 55.927 -8.502 1.00 75.47 C 30.432 56.779 -9.029 1.00 75.47 O 30.073 55.013 -7.745 1.00 75.47 O1- 25.191 53.683 -9.974 1.00 79.04 N 24.709 53.225 -11.290 1.00 79.04 C 23.231 53.538 -11.564 1.00 79.04 C 22.756 53.269 -12.665 1.00 79.04 O 25.013 51.729 -11.479 1.00 79.04 C 26.522 51.441 -11.573 1.00 79.04 C 26.807 50.027 -12.100 1.00 79.04 C 26.185 48.978 -11.276 1.00 79.04 N 26.662 48.407 -10.196 1.00 79.04 C 27.901 48.584 -9.815 1.00 79.04 N1+ 25.875 47.659 -9.484 1.00 79.04 N 22.488 54.085 -10.597 1.00 68.47 N 21.063 54.404 -10.749 1.00 68.47 C 20.143 53.177 -10.845 1.00 68.47 C 19.016 53.287 -11.325 1.00 68.47 O 20.594 52.007 -10.382 1.00 67.64 N 19.903 50.715 -10.541 1.00 67.64 C 18.783 50.479 -9.508 1.00 67.64 C 17.973 49.568 -9.665 1.00 67.64 O 20.936 49.572 -10.474 1.00 67.64 C 21.849 49.516 -11.710 1.00 67.64 C 23.004 48.503 -11.586 1.00 67.64 C 23.763 48.350 -12.566 1.00 67.64 O 23.265 47.942 -10.492 1.00 67.64 O1- 18.702 51.291 -8.447 1.00 59.69 N 17.776 51.064 -7.324 1.00 59.69 C 16.290 51.255 -7.654 1.00 59.69 C 15.435 50.701 -6.963 1.00 59.69 O 18.186 51.979 -6.160 1.00 59.69 C 19.132 51.239 -5.206 1.00 59.69 C 19.993 52.238 -4.484 1.00 59.69 C 18.376 50.452 -4.137 1.00 59.69 C 15.969 52.033 -8.687 1.00 53.51 N 14.593 52.408 -9.013 1.00 53.51 C 14.310 52.264 -10.507 1.00 53.51 C 13.951 53.231 -11.181 1.00 53.51 O 14.295 53.825 -8.498 1.00 53.51 C 14.379 53.971 -7.002 1.00 53.51 C 15.095 54.913 -6.316 1.00 53.51 C 13.747 53.180 -6.069 1.00 53.51 N 14.074 53.639 -4.850 1.00 53.51 C 14.888 54.700 -4.951 1.00 53.51 N 14.446 51.055 -11.048 1.00 58.17 N 13.889 50.794 -12.368 1.00 58.17 C 12.349 50.727 -12.261 1.00 58.17 C 11.785 49.803 -11.682 1.00 58.17 O 14.572 49.569 -12.985 1.00 58.17 C 14.109 49.322 -14.413 1.00 58.17 C 14.630 48.305 -15.056 1.00 58.17 N 13.275 50.032 -14.961 1.00 58.17 O 11.669 51.759 -12.781 1.00 60.70 N 10.213 51.970 -12.650 1.00 60.70 C 9.361 51.001 -13.479 1.00 60.70 C 8.161 50.922 -13.243 1.00 60.70 O 9.862 53.425 -13.012 1.00 60.70 C 10.425 54.440 -12.005 1.00 60.70 C 10.044 55.872 -12.402 1.00 60.70 C 10.607 56.861 -11.374 1.00 60.70 C 10.319 58.267 -11.754 1.00 60.70 N1+ 9.971 50.279 -14.421 1.00 63.15 N 9.273 49.406 -15.371 1.00 63.15 C 9.593 47.914 -15.166 1.00 63.15 C 9.399 47.115 -16.081 1.00 63.15 O 9.568 49.890 -16.804 1.00 63.15 C 8.953 51.235 -17.142 1.00 63.15 C 9.314 51.793 -18.273 1.00 63.15 N 8.154 51.815 -16.431 1.00 63.15 O 10.106 47.529 -13.994 1.00 60.53 N 10.408 46.126 -13.691 1.00 60.53 C 9.131 45.392 -13.321 1.00 60.53 C 8.490 45.695 -12.314 1.00 60.53 O 11.456 45.977 -12.577 1.00 60.53 C 11.776 44.514 -12.290 1.00 60.53 C 12.755 46.641 -13.004 1.00 60.53 C 8.799 44.377 -14.110 1.00 75.79 N 7.909 43.322 -13.653 1.00 75.79 C 8.676 42.451 -12.648 1.00 75.79 C 9.364 41.490 -13.003 1.00 75.79 O 7.357 42.537 -14.846 1.00 75.79 C 6.302 41.512 -14.417 1.00 75.79 C 6.149 41.289 -13.191 1.00 75.79 O 5.669 40.951 -15.334 1.00 75.79 O1- 8.602 42.835 -11.372 1.00 74.55 N 9.284 42.136 -10.284 1.00 74.55 C 8.883 40.659 -10.192 1.00 74.55 C 9.678 39.852 -9.708 1.00 74.55 O 8.973 42.834 -8.954 1.00 74.55 C 9.633 44.187 -8.777 1.00 74.55 C 11.015 44.254 -8.510 1.00 74.55 C 8.877 45.372 -8.864 1.00 74.55 C 11.640 45.501 -8.318 1.00 74.55 C 9.498 46.620 -8.665 1.00 74.55 C 10.878 46.687 -8.388 1.00 74.55 C 11.474 47.893 -8.192 1.00 74.55 O 7.679 40.293 -10.649 1.00 79.36 N 7.247 38.901 -10.673 1.00 79.36 C 8.038 38.114 -11.725 1.00 79.36 C 8.604 37.070 -11.401 1.00 79.36 O 5.734 38.840 -10.908 1.00 79.36 C 8.178 38.661 -12.938 1.00 81.04 N 8.958 38.033 -14.012 1.00 81.04 C 10.441 37.897 -13.658 1.00 81.04 C 11.016 36.827 -13.835 1.00 81.04 O 8.753 38.829 -15.304 1.00 81.04 C 9.342 38.064 -16.491 1.00 81.04 C 9.177 38.863 -17.780 1.00 81.04 C 9.826 38.042 -18.891 1.00 81.04 C 9.964 38.832 -20.130 1.00 81.04 N1+ 11.064 38.936 -13.097 1.00 81.28 N 12.459 38.833 -12.634 1.00 81.28 C 12.626 37.808 -11.501 1.00 81.28 C 13.661 37.139 -11.409 1.00 81.28 O 12.975 40.178 -12.110 1.00 81.28 C 13.395 41.165 -13.206 1.00 81.28 C 14.168 42.369 -12.633 1.00 81.28 C 14.530 43.260 -13.434 1.00 81.28 O 14.426 42.393 -11.401 1.00 81.28 O1- 11.634 37.680 -10.612 1.00 79.64 N 11.650 36.660 -9.570 1.00 79.64 C 11.563 35.250 -10.174 1.00 79.64 C 12.349 34.386 -9.778 1.00 79.64 O 10.534 36.934 -8.555 1.00 79.64 C 10.685 35.033 -11.157 1.00 83.29 N 10.573 33.773 -11.900 1.00 83.29 C 11.883 33.430 -12.621 1.00 83.29 C 12.471 32.382 -12.344 1.00 83.29 O 9.397 33.822 -12.887 1.00 83.29 C 8.048 33.715 -12.159 1.00 83.29 C 6.834 33.749 -13.102 1.00 83.29 C 5.711 33.578 -12.571 1.00 83.29 O 7.019 33.925 -14.327 1.00 83.29 O1- 12.433 34.345 -13.424 1.00 86.22 N 13.708 34.145 -14.129 1.00 86.22 C 14.854 33.831 -13.152 1.00 86.22 C 15.657 32.918 -13.370 1.00 86.22 O 14.062 35.405 -14.938 1.00 86.22 C 13.181 35.597 -16.187 1.00 86.22 C 13.524 36.870 -16.986 1.00 86.22 C 12.802 37.158 -17.975 1.00 86.22 O 14.520 37.546 -16.637 1.00 86.22 O1- 14.912 34.527 -12.009 1.00 85.65 N 15.905 34.255 -10.959 1.00 85.65 C 15.723 32.867 -10.343 1.00 85.65 C 16.722 32.206 -10.036 1.00 85.65 O 15.816 35.368 -9.911 1.00 85.65 C 16.958 35.334 -8.885 1.00 85.65 C 16.726 36.371 -7.777 1.00 85.65 C 16.590 37.742 -8.310 1.00 85.65 N 17.509 38.685 -8.400 1.00 85.65 C 18.739 38.497 -7.998 1.00 85.65 N1+ 17.208 39.844 -8.912 1.00 85.65 N 14.483 32.417 -10.140 1.00 80.18 N 14.211 31.057 -9.651 1.00 80.18 C 14.600 29.998 -10.677 1.00 80.18 C 15.273 29.034 -10.304 1.00 80.18 O 12.765 30.838 -9.181 1.00 80.18 C 12.425 31.646 -7.928 1.00 80.18 C 11.783 31.078 -10.149 1.00 80.18 O 14.298 30.205 -11.959 1.00 82.42 N 14.688 29.303 -13.046 1.00 82.42 C 16.208 29.204 -13.191 1.00 82.42 C 16.756 28.101 -13.252 1.00 82.42 O 14.097 29.777 -14.376 1.00 82.42 C 12.579 29.584 -14.463 1.00 82.42 C 12.059 29.808 -15.891 1.00 82.42 C 10.936 29.330 -16.159 1.00 82.42 O 12.825 30.352 -16.722 1.00 82.42 O1- 16.917 30.338 -13.156 1.00 83.43 N 18.381 30.371 -13.181 1.00 83.43 C 18.982 29.615 -11.995 1.00 83.43 C 19.950 28.871 -12.165 1.00 83.43 O 18.867 31.830 -13.169 1.00 83.43 C 18.689 32.577 -14.503 1.00 83.43 C 19.032 34.051 -14.290 1.00 83.43 C 19.609 32.020 -15.594 1.00 83.43 C 18.398 29.754 -10.798 1.00 79.95 N 18.843 29.016 -9.609 1.00 79.95 C 18.596 27.516 -9.751 1.00 79.95 C 19.482 26.733 -9.412 1.00 79.95 O 18.169 29.608 -8.364 1.00 79.95 C 18.751 29.017 -7.074 1.00 79.95 C 18.194 29.770 -5.863 1.00 79.95 C 18.778 29.269 -4.604 1.00 79.95 N 18.736 29.874 -3.431 1.00 79.95 C 18.148 31.026 -3.270 1.00 79.95 N1+ 19.286 29.325 -2.385 1.00 79.95 N 17.439 27.106 -10.270 1.00 79.34 N 17.125 25.695 -10.543 1.00 79.34 C 18.104 25.126 -11.577 1.00 79.34 C 18.656 24.046 -11.368 1.00 79.34 O 15.651 25.550 -10.992 1.00 79.34 C 14.702 25.851 -9.809 1.00 79.34 C 15.368 24.134 -11.532 1.00 79.34 C 13.248 26.096 -10.236 1.00 79.34 C 18.389 25.874 -12.648 1.00 78.88 N 19.330 25.480 -13.704 1.00 78.88 C 20.770 25.390 -13.200 1.00 78.88 C 21.466 24.431 -13.521 1.00 78.88 O 19.187 26.471 -14.866 1.00 78.88 C 19.905 25.981 -16.128 1.00 78.88 C 19.626 26.946 -17.283 1.00 78.88 C 20.193 26.447 -18.549 1.00 78.88 N 19.983 26.966 -19.746 1.00 78.88 C 19.246 28.028 -19.921 1.00 78.88 N1+ 20.513 26.418 -20.803 1.00 78.88 N 21.204 26.335 -12.367 1.00 79.12 N 22.512 26.281 -11.718 1.00 79.12 C 22.638 25.044 -10.813 1.00 79.12 C 23.678 24.389 -10.808 1.00 79.12 O 22.733 27.579 -10.932 1.00 79.12 C 21.567 24.684 -10.096 1.00 74.39 N 21.526 23.470 -9.279 1.00 74.39 C 21.475 22.188 -10.122 1.00 74.39 C 22.017 21.173 -9.685 1.00 74.39 O 20.325 23.529 -8.320 1.00 74.39 C 20.454 24.578 -7.202 1.00 74.39 C 19.113 24.709 -6.476 1.00 74.39 C 21.520 24.199 -6.173 1.00 74.39 C 20.872 22.204 -11.313 1.00 72.66 N 20.836 21.040 -12.202 1.00 72.66 C 22.252 20.536 -12.544 1.00 72.66 C 22.502 19.336 -12.469 1.00 72.66 O 20.026 21.382 -13.458 1.00 72.66 C 23.203 21.448 -12.776 1.00 73.89 N 24.608 21.111 -13.051 1.00 73.89 C 25.381 20.573 -11.828 1.00 73.89 C 26.496 20.087 -11.979 1.00 73.89 O 25.313 22.357 -13.616 1.00 73.89 C 24.821 22.780 -14.987 1.00 73.89 C 25.138 23.986 -15.397 1.00 73.89 N 24.163 22.062 -15.715 1.00 73.89 O 24.827 20.666 -10.612 1.00 82.28 N 25.485 20.188 -9.373 1.00 82.28 C 25.115 18.750 -8.999 1.00 82.28 C 25.570 18.218 -7.980 1.00 82.28 O 25.236 21.124 -8.180 1.00 82.28 C 25.692 22.556 -8.450 1.00 82.28 C 23.878 21.162 -7.795 1.00 82.28 O 24.257 18.116 -9.801 1.00 87.16 N 23.745 16.771 -9.546 1.00 87.16 C 24.796 15.703 -9.882 1.00 87.16 C 25.609 15.913 -10.776 1.00 87.16 O 22.438 16.578 -10.330 1.00 87.16 C 21.311 17.533 -9.892 1.00 87.16 C 20.776 17.193 -8.495 1.00 87.16 C 20.066 18.321 -7.867 1.00 87.16 N 19.964 18.532 -6.563 1.00 87.16 C 20.465 17.722 -5.670 1.00 87.16 N1+ 19.349 19.595 -6.129 1.00 87.16 N 24.795 14.549 -9.188 1.00 89.71 N 25.801 13.505 -9.408 1.00 89.71 C 25.656 12.782 -10.752 1.00 89.71 C 26.601 12.142 -11.203 1.00 89.71 O 25.618 12.521 -8.250 1.00 89.71 C 24.157 12.690 -7.849 1.00 89.71 C 23.876 14.165 -8.125 1.00 89.71 C 24.471 12.827 -11.362 1.00 90.85 N 24.188 12.222 -12.660 1.00 90.85 C 23.034 12.948 -13.351 1.00 90.85 C 22.320 13.733 -12.724 1.00 90.85 O 23.884 10.719 -12.500 1.00 90.85 C 22.594 10.409 -11.731 1.00 90.85 C 22.179 8.644 -11.655 1.00 90.85 S 23.363 8.105 -10.394 1.00 90.85 C 22.827 12.645 -14.628 1.00 89.08 N 21.657 13.106 -15.370 1.00 89.08 C 20.379 12.345 -14.950 1.00 89.08 C 20.443 11.170 -14.561 1.00 89.08 O 21.900 12.984 -16.879 1.00 89.08 C 23.034 13.912 -17.345 1.00 89.08 C 23.238 13.901 -18.867 1.00 89.08 C 23.978 14.790 -19.342 1.00 89.08 O 22.674 13.004 -19.532 1.00 89.08 O1- 19.196 12.985 -15.012 1.00 91.35 N 17.912 12.321 -14.800 1.00 91.35 C 17.714 11.118 -15.740 1.00 91.35 C 17.850 11.250 -16.950 1.00 91.35 O 16.851 13.402 -15.033 1.00 91.35 C 17.590 14.695 -14.703 1.00 91.35 C 18.996 14.412 -15.221 1.00 91.35 C 17.352 9.942 -15.204 1.00 92.11 N 17.176 8.703 -15.991 1.00 92.11 C 15.727 8.420 -16.389 1.00 92.11 C 15.472 7.543 -17.207 1.00 92.11 O 17.757 7.511 -15.221 1.00 92.11 C 19.283 7.581 -15.079 1.00 92.11 C 19.744 6.306 -14.378 1.00 92.11 C 21.203 6.231 -14.229 1.00 92.11 N 21.845 5.250 -13.625 1.00 92.11 C 21.209 4.258 -13.061 1.00 92.11 N1+ 23.147 5.248 -13.580 1.00 92.11 N 14.778 9.126 -15.786 1.00 92.95 N 13.353 9.080 -16.102 1.00 92.95 C 12.710 10.424 -15.747 1.00 92.95 C 13.304 11.248 -15.047 1.00 92.95 O 12.667 7.909 -15.375 1.00 92.95 C 12.791 7.927 -13.863 1.00 92.95 C 13.892 7.300 -13.255 1.00 92.95 C 11.822 8.568 -13.065 1.00 92.95 C 14.034 7.317 -11.859 1.00 92.95 C 11.963 8.593 -11.662 1.00 92.95 C 13.072 7.966 -11.055 1.00 92.95 C 13.231 7.988 -9.707 1.00 92.95 O 11.493 10.660 -16.236 1.00 90.28 N 10.791 11.918 -16.003 1.00 90.28 C 10.539 12.150 -14.500 1.00 90.28 C 9.959 11.300 -13.825 1.00 90.28 O 9.488 11.926 -16.819 1.00 90.28 C 8.801 13.280 -16.782 1.00 90.28 C 7.615 13.386 -17.329 1.00 90.28 N 9.320 14.260 -16.277 1.00 90.28 O 10.971 13.302 -13.984 1.00 89.25 N 10.875 13.648 -12.565 1.00 89.25 C 11.983 13.071 -11.677 1.00 89.25 C 11.951 13.313 -10.470 1.00 89.25 O 12.964 12.351 -12.240 1.00 93.46 N 14.121 11.864 -11.491 1.00 93.46 C 14.998 13.025 -10.997 1.00 93.46 C 15.461 13.854 -11.781 1.00 93.46 O 14.949 10.886 -12.343 1.00 93.46 C 16.117 10.294 -11.593 1.00 93.46 C 16.078 9.819 -10.312 1.00 93.46 C 17.432 10.194 -12.011 1.00 93.46 N 18.150 9.669 -11.009 1.00 93.46 C 17.369 9.469 -9.945 1.00 93.46 N 15.262 13.050 -9.693 1.00 92.10 N 16.138 13.993 -8.998 1.00 92.10 C 17.280 13.204 -8.347 1.00 92.10 C 17.137 12.729 -7.217 1.00 92.10 O 15.373 14.836 -7.963 1.00 92.10 C 16.311 15.872 -7.321 1.00 92.10 C 14.215 15.604 -8.611 1.00 92.10 C 18.423 13.074 -9.038 1.00 92.59 N 19.572 12.364 -8.500 1.00 92.59 C 20.183 13.126 -7.321 1.00 92.59 C 20.474 14.322 -7.411 1.00 92.59 O 20.535 12.184 -9.669 1.00 92.59 C 20.097 13.197 -10.722 1.00 92.59 C 18.647 13.510 -10.407 1.00 92.59 C 20.388 12.423 -6.209 1.00 92.15 N 20.924 12.986 -4.972 1.00 92.15 C 22.294 12.401 -4.652 1.00 92.15 C 22.540 11.204 -4.819 1.00 92.15 O 19.952 12.744 -3.804 1.00 92.15 C 18.604 13.477 -3.892 1.00 92.15 C 17.825 13.214 -2.602 1.00 92.15 C 18.742 14.992 -4.063 1.00 92.15 C 23.178 13.232 -4.108 1.00 92.58 N 24.409 12.737 -3.502 1.00 92.58 C 24.093 11.884 -2.268 1.00 92.58 C 23.067 12.055 -1.609 1.00 92.58 O 25.326 13.905 -3.146 1.00 92.58 C 25.861 14.632 -4.349 1.00 92.58 C 25.430 15.835 -4.827 1.00 92.58 C 26.887 14.157 -5.164 1.00 92.58 N 27.053 15.094 -6.115 1.00 92.58 C 26.190 16.110 -5.942 1.00 92.58 N 25.009 10.988 -1.880 1.00 91.64 N 24.804 10.107 -0.711 1.00 91.64 C 24.513 10.885 0.578 1.00 91.64 C 23.676 10.458 1.368 1.00 91.64 O 26.016 9.187 -0.507 1.00 91.64 C 26.192 8.176 -1.649 1.00 91.64 C 27.367 7.243 -1.336 1.00 91.64 C 27.585 6.261 -2.414 1.00 91.64 N 28.557 5.366 -2.469 1.00 91.64 C 29.449 5.253 -1.523 1.00 91.64 N1+ 28.653 4.560 -3.487 1.00 91.64 N 25.167 12.032 0.772 1.00 93.48 N 24.924 12.899 1.927 1.00 93.48 C 23.569 13.620 1.839 1.00 93.48 C 22.895 13.750 2.856 1.00 93.48 O 26.087 13.889 2.094 1.00 93.48 C 26.218 14.907 0.976 1.00 93.48 C 27.086 14.670 -0.108 1.00 93.48 C 25.458 16.094 1.020 1.00 93.48 C 27.166 15.604 -1.159 1.00 93.48 C 25.532 17.023 -0.034 1.00 93.48 C 26.371 16.768 -1.138 1.00 93.48 C 26.412 17.628 -2.186 1.00 93.48 O 23.124 14.025 0.642 1.00 93.52 N 21.785 14.597 0.433 1.00 93.52 C 20.703 13.548 0.700 1.00 93.52 C 19.694 13.862 1.322 1.00 93.52 O 21.607 15.123 -1.000 1.00 93.52 C 22.477 16.326 -1.377 1.00 93.52 C 22.205 16.771 -2.824 1.00 93.52 C 21.940 17.970 -3.065 1.00 93.52 O 22.232 15.898 -3.720 1.00 93.52 O1- 20.924 12.289 0.299 1.00 93.37 N 20.004 11.178 0.584 1.00 93.37 C 19.933 10.858 2.081 1.00 93.37 C 18.849 10.593 2.595 1.00 93.37 O 20.397 9.961 -0.269 1.00 93.37 C 19.306 8.876 -0.246 1.00 93.37 C 19.511 7.840 -1.362 1.00 93.37 C 18.329 6.857 -1.390 1.00 93.37 C 18.166 6.203 -2.714 1.00 93.37 N1+ 21.058 10.935 2.797 1.00 94.75 N 21.080 10.806 4.258 1.00 94.75 C 20.352 11.972 4.943 1.00 94.75 C 19.596 11.756 5.889 1.00 94.75 O 22.539 10.703 4.738 1.00 94.75 C 22.678 10.518 6.263 1.00 94.75 C 22.087 9.188 6.737 1.00 94.75 C 24.155 10.558 6.652 1.00 94.75 C 20.544 13.197 4.455 1.00 95.65 N 19.839 14.371 4.963 1.00 95.65 C 18.332 14.275 4.689 1.00 95.65 C 17.534 14.548 5.583 1.00 95.65 O 20.465 15.627 4.337 1.00 95.65 C 19.882 16.941 4.882 1.00 95.65 C 20.166 17.116 6.376 1.00 95.65 C 20.490 18.122 4.128 1.00 95.65 C 17.946 13.817 3.493 1.00 94.01 N 16.561 13.519 3.137 1.00 94.01 C 15.973 12.508 4.119 1.00 94.01 C 14.916 12.776 4.679 1.00 94.01 O 16.489 13.000 1.687 1.00 94.01 C 15.055 12.727 1.191 1.00 94.01 C 14.288 14.032 0.974 1.00 94.01 C 15.089 11.961 -0.131 1.00 94.01 C 16.665 11.395 4.387 1.00 93.90 N 16.251 10.405 5.387 1.00 93.90 C 16.042 11.032 6.772 1.00 93.90 C 14.999 10.819 7.384 1.00 93.90 O 17.295 9.279 5.471 1.00 93.90 C 17.066 8.328 6.625 1.00 93.90 C 17.858 8.420 7.785 1.00 93.90 C 16.025 7.388 6.561 1.00 93.90 C 17.611 7.567 8.875 1.00 93.90 C 15.772 6.541 7.655 1.00 93.90 C 16.568 6.627 8.809 1.00 93.90 C 16.999 11.825 7.260 1.00 94.28 N 16.929 12.421 8.592 1.00 94.28 C 15.772 13.428 8.725 1.00 94.28 C 14.987 13.342 9.672 1.00 94.28 O 18.287 13.060 8.906 1.00 94.28 C 15.635 14.349 7.765 1.00 94.59 N 14.594 15.390 7.776 1.00 94.59 C 13.212 14.770 7.568 1.00 94.59 C 12.303 15.012 8.361 1.00 94.59 O 14.891 16.479 6.717 1.00 94.59 C 16.186 17.241 7.083 1.00 94.59 C 13.708 17.462 6.591 1.00 94.59 C 16.623 18.257 6.019 1.00 94.59 C 13.052 13.938 6.536 1.00 92.98 N 11.772 13.273 6.266 1.00 92.98 C 11.397 12.298 7.379 1.00 92.98 C 10.220 12.186 7.701 1.00 92.98 O 11.781 12.554 4.918 1.00 92.98 C 12.706 11.487 4.927 1.00 92.98 O 12.374 11.651 8.022 1.00 90.68 N 12.210 10.824 9.217 1.00 90.68 C 11.635 11.601 10.392 1.00 90.68 C 10.614 11.210 10.962 1.00 90.68 O 12.262 12.729 10.721 1.00 91.85 N 11.805 13.625 11.779 1.00 91.85 C 10.395 14.156 11.499 1.00 91.85 C 9.500 14.014 12.337 1.00 91.85 O 12.810 14.770 11.918 1.00 91.85 C 12.525 15.689 13.057 1.00 91.85 C 11.757 16.801 13.004 1.00 91.85 C 12.985 15.578 14.436 1.00 91.85 C 12.460 16.680 15.174 1.00 91.85 C 13.792 14.654 15.135 1.00 91.85 C 11.712 17.387 14.254 1.00 91.85 N 12.727 16.860 16.539 1.00 91.85 C 14.068 14.825 16.506 1.00 91.85 C 13.539 15.925 17.206 1.00 91.85 C 10.172 14.689 10.296 1.00 91.62 N 8.878 15.231 9.897 1.00 91.62 C 7.798 14.149 9.846 1.00 91.62 C 6.731 14.362 10.392 1.00 91.62 O 8.999 15.934 8.542 1.00 91.62 C 9.786 17.226 8.579 1.00 91.62 C 10.089 17.756 7.419 1.00 91.62 N 10.110 17.777 9.620 1.00 91.62 O 8.072 12.969 9.288 1.00 88.46 N 7.116 11.848 9.261 1.00 88.46 C 6.758 11.360 10.654 1.00 88.46 C 5.635 10.918 10.887 1.00 88.46 O 7.709 10.634 8.553 1.00 88.46 C 7.940 10.901 7.193 1.00 88.46 O 7.717 11.405 11.586 1.00 84.81 N 7.432 11.084 12.969 1.00 84.81 C 6.441 12.116 13.498 1.00 84.81 C 5.341 11.715 13.842 1.00 84.81 O 8.725 10.941 13.791 1.00 84.81 C 8.544 10.403 15.204 1.00 84.81 C 8.911 11.191 16.313 1.00 84.81 C 8.064 9.095 15.419 1.00 84.81 C 8.719 10.709 17.623 1.00 84.81 C 7.916 8.593 16.727 1.00 84.81 C 8.220 9.410 17.831 1.00 84.81 C 6.765 13.414 13.534 1.00 85.43 N 5.915 14.445 14.157 1.00 85.43 C 4.626 14.798 13.404 1.00 85.43 C 3.611 14.991 14.072 1.00 85.43 O 6.762 15.676 14.498 1.00 85.43 C 7.700 15.413 15.662 1.00 85.43 C 7.197 15.379 16.978 1.00 85.43 C 9.067 15.170 15.437 1.00 85.43 C 8.054 15.095 18.057 1.00 85.43 C 9.920 14.875 16.513 1.00 85.43 C 9.417 14.842 17.824 1.00 85.43 C 4.662 14.771 12.078 1.00 85.41 N 3.605 15.141 11.135 1.00 85.41 C 3.308 13.995 10.146 1.00 85.41 C 3.576 14.115 8.946 1.00 85.41 O 4.028 16.426 10.408 1.00 85.41 C 4.151 17.581 11.354 1.00 85.41 C 5.299 18.152 11.833 1.00 85.41 C 3.087 18.197 11.955 1.00 85.41 N 3.581 19.129 12.788 1.00 85.41 C 4.928 19.132 12.761 1.00 85.41 N 2.788 12.847 10.625 1.00 80.92 N 2.468 11.702 9.772 1.00 80.92 C 1.317 11.973 8.789 1.00 80.92 C 1.117 11.187 7.867 1.00 80.92 O 2.109 10.579 10.748 1.00 80.92 C 1.528 11.330 11.946 1.00 80.92 C 2.397 12.581 12.002 1.00 80.92 C 0.549 13.048 8.989 1.00 80.15 N -0.510 13.503 8.085 1.00 80.15 C 0.013 13.986 6.726 1.00 80.15 C -0.720 13.942 5.738 1.00 80.15 O -1.361 14.600 8.765 1.00 80.15 C -0.661 15.938 9.113 1.00 80.15 C 0.155 15.945 10.423 1.00 80.15 C 0.631 17.030 10.835 1.00 80.15 O 0.316 14.864 11.038 1.00 80.15 O1- 1.274 14.420 6.656 1.00 80.71 N 1.881 14.857 5.405 1.00 80.71 C 2.450 13.659 4.636 1.00 80.71 C 3.556 13.164 4.890 1.00 80.71 O 2.914 15.958 5.656 1.00 80.71 C 3.521 16.501 4.354 1.00 80.71 C 3.116 16.042 3.257 1.00 80.71 O 4.448 17.332 4.467 1.00 80.71 O1- 1.684 13.219 3.637 1.00 79.93 N 2.079 12.141 2.742 1.00 79.93 C 3.405 12.399 2.020 1.00 79.93 C 4.088 11.434 1.680 1.00 79.93 O 3.825 13.652 1.817 1.00 86.51 N 5.088 13.953 1.143 1.00 86.51 C 6.298 13.489 1.964 1.00 86.51 C 7.191 12.834 1.420 1.00 86.51 O 5.154 15.451 0.835 1.00 86.51 C 6.295 15.834 -0.083 1.00 86.51 C 7.390 16.554 0.423 1.00 86.51 C 6.244 15.494 -1.448 1.00 86.51 C 8.414 16.969 -0.445 1.00 86.51 C 7.302 15.851 -2.307 1.00 86.51 C 8.391 16.591 -1.805 1.00 86.51 C 9.407 16.953 -2.637 1.00 86.51 O 6.293 13.719 3.282 1.00 88.15 N 7.374 13.272 4.170 1.00 88.15 C 7.470 11.742 4.214 1.00 88.15 C 8.568 11.189 4.139 1.00 88.15 O 7.164 13.845 5.580 1.00 88.15 C 7.283 15.354 5.603 1.00 88.15 C 6.322 16.024 6.182 1.00 88.15 N 8.252 15.928 5.130 1.00 88.15 O 6.326 11.051 4.253 1.00 87.25 N 6.273 9.580 4.258 1.00 87.25 C 6.879 9.007 2.975 1.00 87.25 C 7.577 7.990 3.002 1.00 87.25 O 4.811 9.110 4.440 1.00 87.25 C 4.198 9.597 5.774 1.00 87.25 C 4.684 7.578 4.320 1.00 87.25 C 4.796 8.955 7.032 1.00 87.25 C 6.633 9.667 1.844 1.00 89.46 N 7.165 9.259 0.542 1.00 89.46 C 8.663 9.488 0.472 1.00 89.46 C 9.388 8.552 0.145 1.00 89.46 O 6.423 9.986 -0.583 1.00 89.46 C 7.045 9.727 -1.958 1.00 89.46 C 4.989 9.458 -0.593 1.00 89.46 C 9.132 10.674 0.856 1.00 92.05 N 10.559 10.985 0.911 1.00 92.05 C 11.327 10.013 1.804 1.00 92.05 C 12.377 9.506 1.411 1.00 92.05 O 10.737 12.395 1.466 1.00 92.05 C 10.347 13.466 0.451 1.00 92.05 C 10.729 14.848 0.948 1.00 92.05 C 11.038 15.757 0.056 1.00 92.05 N 10.850 15.126 2.126 1.00 92.05 O 10.775 9.704 2.975 1.00 92.20 N 11.354 8.742 3.902 1.00 92.20 C 11.366 7.330 3.309 1.00 92.20 C 12.356 6.602 3.419 1.00 92.20 O 10.533 8.824 5.190 1.00 92.20 C 11.006 7.877 6.294 1.00 92.20 C 12.469 8.084 6.680 1.00 92.20 C 10.118 8.133 7.505 1.00 92.20 C 10.285 6.955 2.628 1.00 92.17 N 10.201 5.714 1.873 1.00 92.17 C 11.283 5.610 0.794 1.00 92.17 C 11.976 4.603 0.733 1.00 92.17 O 11.487 6.650 -0.012 1.00 93.32 N 12.511 6.674 -1.067 1.00 93.32 C 13.939 6.706 -0.506 1.00 93.32 C 14.850 6.074 -1.048 1.00 93.32 O 12.295 7.896 -1.965 1.00 93.32 C 10.996 7.793 -2.768 1.00 93.32 C 10.886 8.957 -3.742 1.00 93.32 C 10.015 9.833 -3.575 1.00 93.32 O 11.669 8.953 -4.709 1.00 93.32 O1- 14.142 7.400 0.615 1.00 92.63 N 15.434 7.460 1.284 1.00 92.63 C 15.834 6.103 1.893 1.00 92.63 C 17.013 5.748 1.892 1.00 92.63 O 15.385 8.583 2.320 1.00 92.63 C 14.853 5.319 2.354 1.00 91.91 N 15.046 3.959 2.895 1.00 91.91 C 14.926 2.847 1.851 1.00 91.91 C 15.237 1.694 2.157 1.00 91.91 O 14.065 3.659 4.031 1.00 91.91 C 14.263 4.549 5.250 1.00 91.91 C 12.750 3.842 3.586 1.00 91.91 O 14.518 3.162 0.619 1.00 92.40 N 14.459 2.226 -0.499 1.00 92.40 C 15.875 1.948 -1.036 1.00 92.40 C 16.275 2.395 -2.113 1.00 92.40 O 13.473 2.754 -1.548 1.00 92.40 C 16.674 1.250 -0.227 1.00 92.15 N 18.045 0.886 -0.566 1.00 92.15 C 18.062 -0.037 -1.798 1.00 92.15 C 17.184 -0.900 -1.910 1.00 92.15 O 18.733 0.214 0.636 1.00 92.15 C 18.862 1.094 1.894 1.00 92.15 C 19.531 0.287 3.006 1.00 92.15 C 19.691 2.356 1.645 1.00 92.15 C 19.084 0.060 -2.674 1.00 93.07 N 19.169 -0.765 -3.881 1.00 93.07 C 19.057 -2.268 -3.610 1.00 93.07 C 18.431 -2.977 -4.381 1.00 93.07 O 20.518 -0.417 -4.517 1.00 93.07 C 20.749 1.025 -4.073 1.00 93.07 C 20.153 1.052 -2.667 1.00 93.07 C 19.593 -2.750 -2.483 1.00 94.79 N 19.517 -4.168 -2.082 1.00 94.79 C 18.069 -4.627 -1.884 1.00 94.79 C 17.689 -5.703 -2.333 1.00 94.79 O 20.326 -4.406 -0.790 1.00 94.79 C 20.295 -5.875 -0.351 1.00 94.79 C 21.796 -3.997 -0.966 1.00 94.79 C 17.240 -3.804 -1.238 1.00 95.03 N 15.829 -4.117 -1.012 1.00 95.03 C 15.044 -4.133 -2.330 1.00 95.03 C 14.315 -5.087 -2.602 1.00 95.03 O 15.251 -3.114 0.001 1.00 95.03 C 13.767 -2.864 -0.159 1.00 95.03 C 13.320 -1.638 -0.686 1.00 95.03 C 12.840 -3.875 0.146 1.00 95.03 C 11.950 -1.414 -0.894 1.00 95.03 C 11.472 -3.653 -0.072 1.00 95.03 C 11.028 -2.424 -0.588 1.00 95.03 C 15.220 -3.104 -3.164 1.00 97.05 N 14.523 -3.007 -4.450 1.00 97.05 C 14.967 -4.107 -5.417 1.00 97.05 C 14.143 -4.645 -6.154 1.00 97.05 O 14.752 -1.614 -5.057 1.00 97.05 C 14.136 -0.471 -4.233 1.00 97.05 C 14.563 0.890 -4.776 1.00 97.05 C 12.605 -0.527 -4.238 1.00 97.05 C 16.240 -4.499 -5.369 1.00 97.46 N 16.754 -5.620 -6.145 1.00 97.46 C 16.142 -6.948 -5.695 1.00 97.46 C 15.671 -7.710 -6.535 1.00 97.46 O 18.290 -5.639 -6.072 1.00 97.46 C 18.924 -6.657 -7.028 1.00 97.46 C 18.528 -6.418 -8.491 1.00 97.46 C 18.524 -7.390 -9.284 1.00 97.46 O 18.168 -5.271 -8.869 1.00 97.46 O1- 16.045 -7.200 -4.387 1.00 96.76 N 15.382 -8.400 -3.869 1.00 96.76 C 13.898 -8.461 -4.275 1.00 96.76 C 13.401 -9.524 -4.661 1.00 96.76 O 15.539 -8.441 -2.340 1.00 96.76 C 16.952 -8.760 -1.888 1.00 96.76 C 17.237 -8.594 -0.617 1.00 96.76 N 17.808 -9.198 -2.634 1.00 96.76 O 13.192 -7.324 -4.251 1.00 96.76 N 11.823 -7.242 -4.764 1.00 96.76 C 11.757 -7.518 -6.267 1.00 96.76 C 10.900 -8.286 -6.702 1.00 96.76 O 11.209 -5.866 -4.463 1.00 96.76 C 10.652 -5.690 -3.043 1.00 96.76 C 9.952 -4.332 -2.985 1.00 96.76 C 9.611 -6.757 -2.699 1.00 96.76 C 12.682 -6.964 -7.056 1.00 98.09 N 12.774 -7.242 -8.494 1.00 98.09 C 12.966 -8.734 -8.757 1.00 98.09 C 12.250 -9.292 -9.581 1.00 98.09 O 13.915 -6.417 -9.106 1.00 98.09 C 13.885 -6.458 -10.642 1.00 98.09 C 15.089 -5.719 -11.239 1.00 98.09 C 16.323 -6.621 -11.167 1.00 98.09 C 17.583 -5.883 -11.401 1.00 98.09 N1+ 13.872 -9.399 -8.038 1.00 98.07 N 14.083 -10.847 -8.174 1.00 98.07 C 12.838 -11.652 -7.772 1.00 98.07 C 12.477 -12.620 -8.441 1.00 98.07 O 15.310 -11.285 -7.354 1.00 98.07 C 16.638 -10.669 -7.834 1.00 98.07 C 16.926 -10.899 -9.313 1.00 98.07 C 17.558 -9.967 -9.993 1.00 98.07 N 16.576 -11.911 -9.897 1.00 98.07 O 12.119 -11.207 -6.737 1.00 97.53 N 10.831 -11.797 -6.334 1.00 97.53 C 9.763 -11.651 -7.422 1.00 97.53 C 8.973 -12.568 -7.634 1.00 97.53 O 10.328 -11.167 -5.027 1.00 97.53 C 9.040 -11.815 -4.515 1.00 97.53 C 11.302 -11.325 -4.019 1.00 97.53 O 9.748 -10.531 -8.146 1.00 98.20 N 8.855 -10.333 -9.292 1.00 98.20 C 9.276 -11.159 -10.507 1.00 98.20 C 8.428 -11.727 -11.189 1.00 98.20 O 8.755 -8.843 -9.642 1.00 98.20 C 8.061 -8.012 -8.557 1.00 98.20 C 7.954 -6.245 -8.930 1.00 98.20 S 6.527 -6.268 -10.051 1.00 98.20 C 10.576 -11.276 -10.770 1.00 98.10 N 11.094 -12.045 -11.901 1.00 98.10 C 10.892 -13.558 -11.747 1.00 98.10 C 10.795 -14.252 -12.762 1.00 98.10 O 12.579 -11.711 -12.109 1.00 98.10 C 12.842 -10.307 -12.684 1.00 98.10 C 14.343 -10.020 -12.654 1.00 98.10 C 12.359 -10.170 -14.130 1.00 98.10 C 10.799 -14.078 -10.520 1.00 97.53 N 10.554 -15.507 -10.275 1.00 97.53 C 9.125 -15.942 -10.627 1.00 97.53 C 8.906 -17.101 -10.980 1.00 97.53 O 10.906 -15.866 -8.829 1.00 97.53 C 9.988 -15.296 -7.923 1.00 97.53 O 8.170 -15.013 -10.651 1.00 97.04 N 6.762 -15.285 -10.928 1.00 97.04 C 6.321 -14.796 -12.319 1.00 97.04 C 6.794 -13.785 -12.837 1.00 97.04 O 5.914 -14.680 -9.812 1.00 97.04 C 4.455 -15.034 -10.041 1.00 97.04 C 4.115 -16.228 -9.908 1.00 97.04 O 3.728 -14.127 -10.490 1.00 97.04 O1- 5.397 -15.521 -12.955 1.00 97.72 N 4.913 -15.156 -14.295 1.00 97.72 C 4.125 -13.843 -14.316 1.00 97.72 C 4.323 -13.034 -15.227 1.00 97.72 O 4.102 -16.299 -14.908 1.00 97.72 C 2.900 -16.549 -14.209 1.00 97.72 O 3.299 -13.592 -13.296 1.00 96.98 N 2.546 -12.347 -13.157 1.00 96.98 C 3.488 -11.195 -12.822 1.00 96.98 C 3.399 -10.138 -13.443 1.00 96.98 O 1.462 -12.490 -12.080 1.00 96.98 C 0.598 -13.571 -12.387 1.00 96.98 O 4.467 -11.421 -11.940 1.00 97.50 N 5.508 -10.434 -11.634 1.00 97.50 C 6.321 -10.005 -12.866 1.00 97.50 C 6.465 -8.806 -13.117 1.00 97.50 O 6.773 -10.950 -13.707 1.00 98.24 N 7.457 -10.642 -14.984 1.00 98.24 C 6.591 -9.807 -15.923 1.00 98.24 C 7.092 -8.884 -16.565 1.00 98.24 O 7.868 -11.936 -15.708 1.00 98.24 C 9.075 -12.611 -15.048 1.00 98.24 C 9.628 -13.780 -15.874 1.00 98.24 C 8.663 -14.886 -16.042 1.00 98.24 N 8.475 -15.897 -15.209 1.00 98.24 C 9.075 -15.995 -14.059 1.00 98.24 N1+ 7.666 -16.867 -15.536 1.00 98.24 N 5.298 -10.126 -16.001 1.00 98.03 N 4.339 -9.398 -16.834 1.00 98.03 C 4.140 -7.963 -16.339 1.00 98.03 C 4.226 -7.045 -17.147 1.00 98.03 O 3.041 -10.208 -16.900 1.00 98.03 C 2.060 -9.594 -17.896 1.00 98.03 C 0.787 -10.434 -17.973 1.00 98.03 C -0.261 -9.661 -18.637 1.00 98.03 N -1.547 -9.689 -18.369 1.00 98.03 C -2.102 -10.641 -17.676 1.00 98.03 N1+ -2.294 -8.711 -18.755 1.00 98.03 N 3.999 -7.760 -15.028 1.00 97.90 N 3.898 -6.426 -14.410 1.00 97.90 C 5.150 -5.587 -14.708 1.00 97.90 C 5.025 -4.430 -15.098 1.00 97.90 O 3.642 -6.556 -12.888 1.00 97.90 C 2.236 -7.142 -12.622 1.00 97.90 C 3.771 -5.199 -12.165 1.00 97.90 C 2.043 -7.646 -11.185 1.00 97.90 C 6.355 -6.156 -14.585 1.00 97.83 N 7.600 -5.432 -14.892 1.00 97.83 C 7.716 -5.027 -16.371 1.00 97.83 C 8.331 -4.005 -16.678 1.00 97.83 O 8.814 -6.292 -14.503 1.00 97.83 C 9.017 -6.514 -12.996 1.00 97.83 C 10.234 -7.418 -12.793 1.00 97.83 C 9.257 -5.216 -12.231 1.00 97.83 C 7.142 -5.825 -17.280 1.00 97.52 N 7.135 -5.549 -18.722 1.00 97.52 C 6.093 -4.498 -19.105 1.00 97.52 C 6.412 -3.579 -19.849 1.00 97.52 O 6.919 -6.867 -19.483 1.00 97.52 C 6.976 -6.663 -21.004 1.00 97.52 C 6.697 -7.969 -21.754 1.00 97.52 C 6.704 -7.685 -23.261 1.00 97.52 C 6.327 -8.884 -24.050 1.00 97.52 N1+ 4.856 -4.663 -18.643 1.00 96.95 N 3.720 -3.803 -19.011 1.00 96.95 C 3.717 -2.475 -18.249 1.00 96.95 C 3.160 -1.492 -18.725 1.00 96.95 O 2.407 -4.560 -18.751 1.00 96.95 C 2.212 -5.718 -19.741 1.00 96.95 C 0.971 -6.575 -19.452 1.00 96.95 C 0.828 -7.621 -20.123 1.00 96.95 O 0.189 -6.280 -18.522 1.00 96.95 O1- 4.339 -2.452 -17.070 1.00 95.81 N 4.379 -1.315 -16.159 1.00 95.81 C 3.009 -0.647 -15.919 1.00 95.81 C 2.901 0.581 -16.014 1.00 95.81 O 5.489 -0.328 -16.552 1.00 95.81 C 6.870 -0.986 -16.466 1.00 95.81 C 8.017 -0.003 -16.641 1.00 95.81 C 9.206 -0.512 -16.869 1.00 95.81 N 7.894 1.210 -16.562 1.00 95.81 O 1.950 -1.414 -15.573 1.00 95.05 N 0.613 -0.862 -15.391 1.00 95.05 C 0.596 0.220 -14.309 1.00 95.05 C 1.253 0.105 -13.263 1.00 95.05 O -0.291 -2.045 -15.030 1.00 95.05 C 0.681 -3.026 -14.378 1.00 95.05 C 1.936 -2.831 -15.222 1.00 95.05 C -0.171 1.276 -14.578 1.00 92.30 N -0.389 2.395 -13.675 1.00 92.30 C -1.777 2.277 -13.038 1.00 92.30 C -2.758 2.041 -13.733 1.00 92.30 O -0.220 3.706 -14.462 1.00 92.30 C -0.113 4.922 -13.564 1.00 92.30 C -0.612 6.056 -13.984 1.00 92.30 N 0.504 4.895 -12.508 1.00 92.30 O -1.862 2.489 -11.727 1.00 91.57 N -3.131 2.440 -10.997 1.00 91.57 C -3.644 3.872 -10.833 1.00 91.57 C -3.070 4.646 -10.064 1.00 91.57 O -2.938 1.711 -9.653 1.00 91.57 C -2.492 0.244 -9.857 1.00 91.57 C -4.248 1.721 -8.851 1.00 91.57 C -1.780 -0.363 -8.642 1.00 91.57 C -4.701 4.214 -11.566 1.00 89.76 N -5.427 5.494 -11.479 1.00 89.76 C -6.931 5.245 -11.514 1.00 89.76 C -7.382 4.192 -11.976 1.00 89.76 O -5.058 6.472 -12.610 1.00 89.76 C -3.567 6.800 -12.632 1.00 89.76 C -5.394 5.947 -13.875 1.00 89.76 O -7.720 6.215 -11.051 1.00 88.11 N -9.195 6.168 -11.096 1.00 88.11 C -9.709 5.908 -12.513 1.00 88.11 C -10.644 5.127 -12.704 1.00 88.11 O -9.749 7.513 -10.603 1.00 88.11 C -11.266 7.711 -10.650 1.00 88.11 C -9.375 7.687 -9.261 1.00 88.11 O -9.079 6.535 -13.509 1.00 86.27 N -9.445 6.407 -14.922 1.00 86.27 C -9.249 4.977 -15.436 1.00 86.27 C -10.160 4.414 -16.043 1.00 86.27 O -8.598 7.369 -15.765 1.00 86.27 C -8.877 8.846 -15.447 1.00 86.27 C -8.014 9.803 -16.284 1.00 86.27 C -8.167 11.026 -16.080 1.00 86.27 O -7.192 9.309 -17.090 1.00 86.27 O1- -8.089 4.377 -15.142 1.00 86.88 N -7.716 3.032 -15.604 1.00 86.88 C -8.546 1.960 -14.892 1.00 86.88 C -8.993 1.003 -15.519 1.00 86.88 O -6.194 2.817 -15.413 1.00 86.88 C -5.413 3.756 -16.365 1.00 86.88 C -5.792 1.351 -15.669 1.00 86.88 C -3.906 3.828 -16.094 1.00 86.88 C -8.798 2.130 -13.592 1.00 89.57 N -9.627 1.201 -12.820 1.00 89.57 C -11.125 1.314 -13.141 1.00 89.57 C -11.895 0.446 -12.732 1.00 89.57 O -9.390 1.431 -11.321 1.00 89.57 C -7.987 1.081 -10.796 1.00 89.57 C -7.997 1.342 -9.289 1.00 89.57 C -7.607 -0.384 -11.003 1.00 89.57 C -11.547 2.370 -13.846 1.00 89.50 N -12.944 2.655 -14.167 1.00 89.50 C -13.863 2.587 -12.937 1.00 89.50 C -14.745 1.730 -12.841 1.00 89.50 O -13.426 1.719 -15.278 1.00 89.50 C -12.654 1.779 -16.565 1.00 89.50 C -12.148 0.705 -17.240 1.00 89.50 C -12.429 2.896 -17.335 1.00 89.50 N -11.827 2.496 -18.465 1.00 89.50 C -11.713 1.157 -18.487 1.00 89.50 N -13.682 3.509 -11.991 1.00 89.27 N -14.398 3.507 -10.704 1.00 89.27 C -15.931 3.388 -10.814 1.00 89.27 C -16.555 2.723 -9.986 1.00 89.27 O -14.021 4.778 -9.933 1.00 89.27 C -12.559 4.745 -9.467 1.00 89.27 C -12.109 3.352 -8.406 1.00 89.27 S -12.950 3.898 -6.902 1.00 89.27 C -16.538 3.952 -11.861 1.00 91.59 N -17.979 3.833 -12.124 1.00 91.59 C -18.420 2.406 -12.474 1.00 91.59 C -19.554 2.015 -12.190 1.00 91.59 O -18.365 4.749 -13.290 1.00 91.59 C -18.124 6.223 -12.983 1.00 91.59 C -18.347 6.612 -11.815 1.00 91.59 O -17.716 6.920 -13.932 1.00 91.59 O1- -17.534 1.614 -13.091 1.00 93.37 N -17.768 0.187 -13.348 1.00 93.37 C -17.659 -0.605 -12.050 1.00 93.37 C -18.530 -1.426 -11.783 1.00 93.37 O -16.799 -0.369 -14.406 1.00 93.37 C -16.952 0.272 -15.796 1.00 93.37 C -15.979 -0.387 -16.790 1.00 93.37 C -15.992 0.312 -18.158 1.00 93.37 C -14.856 -0.133 -19.012 1.00 93.37 N1+ -16.662 -0.309 -11.208 1.00 93.81 N -16.477 -0.997 -9.921 1.00 93.81 C -17.675 -0.819 -8.982 1.00 93.81 C -18.057 -1.759 -8.289 1.00 93.81 O -15.189 -0.524 -9.227 1.00 93.81 C -13.892 -0.716 -10.031 1.00 93.81 C -12.698 -0.406 -9.130 1.00 93.81 C -13.732 -2.138 -10.565 1.00 93.81 C -18.315 0.352 -9.018 1.00 93.81 N -19.539 0.633 -8.269 1.00 93.81 C -20.729 -0.266 -8.658 1.00 93.81 C -21.644 -0.448 -7.857 1.00 93.81 O -19.901 2.098 -8.527 1.00 93.81 C -20.733 -0.791 -9.890 1.00 96.20 N -21.810 -1.616 -10.462 1.00 96.20 C -21.527 -3.116 -10.372 1.00 96.20 C -22.394 -3.911 -10.728 1.00 96.20 O -22.044 -1.210 -11.926 1.00 96.20 C -22.535 0.236 -12.076 1.00 96.20 C -22.605 0.619 -13.559 1.00 96.20 C -22.994 2.094 -13.683 1.00 96.20 C -23.014 2.538 -15.099 1.00 96.20 N1+ -20.328 -3.510 -9.940 1.00 96.21 N -19.986 -4.918 -9.773 1.00 96.21 C -20.781 -5.550 -8.615 1.00 96.21 C -21.161 -4.853 -7.669 1.00 96.21 O -18.475 -5.088 -9.547 1.00 96.21 C -17.573 -4.802 -10.757 1.00 96.21 C -16.112 -4.944 -10.329 1.00 96.21 C -17.829 -5.772 -11.913 1.00 96.21 C -20.998 -6.878 -8.638 1.00 97.44 N -21.609 -7.590 -7.521 1.00 97.44 C -20.863 -7.359 -6.198 1.00 97.44 C -19.632 -7.283 -6.168 1.00 97.44 O -21.600 -9.066 -7.928 1.00 97.44 C -21.582 -9.027 -9.454 1.00 97.44 C -20.750 -7.784 -9.752 1.00 97.44 C -21.601 -7.303 -5.083 1.00 96.83 N -21.055 -6.924 -3.769 1.00 96.83 C -19.952 -7.854 -3.238 1.00 96.83 C -19.181 -7.470 -2.358 1.00 96.83 O -22.183 -6.864 -2.730 1.00 96.83 C -23.221 -5.789 -2.928 1.00 96.83 C -23.272 -4.823 -3.900 1.00 96.83 C -24.310 -5.594 -2.108 1.00 96.83 N -25.004 -4.545 -2.575 1.00 96.83 C -24.411 -4.048 -3.665 1.00 96.83 N -19.891 -9.087 -3.739 1.00 96.93 N -18.887 -10.079 -3.373 1.00 96.93 C -17.588 -9.958 -4.185 1.00 96.93 C -16.620 -10.640 -3.863 1.00 96.93 O -19.509 -11.479 -3.496 1.00 96.93 C -19.845 -11.853 -4.929 1.00 96.93 C -19.464 -13.025 -5.367 1.00 96.93 N -20.453 -11.088 -5.660 1.00 96.93 O -17.533 -9.112 -5.216 1.00 97.94 N -16.307 -8.895 -5.996 1.00 97.94 C -15.292 -8.046 -5.236 1.00 97.94 C -15.646 -7.171 -4.438 1.00 97.94 O -16.570 -8.256 -7.362 1.00 97.94 C -17.494 -9.103 -8.231 1.00 97.94 C -17.124 -6.971 -7.194 1.00 97.94 O -14.005 -8.270 -5.495 1.00 97.92 N -12.946 -7.454 -4.909 1.00 97.92 C -13.037 -5.986 -5.347 1.00 97.92 C -12.826 -5.097 -4.528 1.00 97.92 O -11.583 -8.051 -5.264 1.00 97.92 C -10.423 -7.221 -4.746 1.00 97.92 C -9.495 -6.659 -5.642 1.00 97.92 C -10.315 -6.946 -3.369 1.00 97.92 C -8.465 -5.833 -5.160 1.00 97.92 C -9.274 -6.136 -2.887 1.00 97.92 C -8.340 -5.592 -3.781 1.00 97.92 C -13.412 -5.726 -6.598 1.00 97.23 N -13.581 -4.390 -7.159 1.00 97.23 C -14.651 -3.581 -6.431 1.00 97.23 C -14.391 -2.435 -6.062 1.00 97.23 O -15.805 -4.188 -6.123 1.00 97.45 N -16.829 -3.537 -5.299 1.00 97.45 C -16.328 -3.271 -3.871 1.00 97.45 C -16.513 -2.179 -3.334 1.00 97.45 O -18.105 -4.386 -5.264 1.00 97.45 C -19.218 -3.713 -4.485 1.00 97.45 C -19.365 -3.947 -3.102 1.00 97.45 C -20.081 -2.817 -5.143 1.00 97.45 C -20.380 -3.291 -2.379 1.00 97.45 C -21.089 -2.151 -4.422 1.00 97.45 C -21.238 -2.382 -3.040 1.00 97.45 C -22.201 -1.722 -2.346 1.00 97.45 O -15.644 -4.242 -3.252 1.00 97.25 N -15.068 -4.079 -1.903 1.00 97.25 C -14.029 -2.956 -1.868 1.00 97.25 C -14.037 -2.148 -0.938 1.00 97.25 O -14.471 -5.406 -1.398 1.00 97.25 C -13.659 -5.250 -0.101 1.00 97.25 C -15.594 -6.410 -1.110 1.00 97.25 C -13.166 -2.873 -2.879 1.00 97.07 N -12.172 -1.814 -3.028 1.00 97.07 C -12.834 -0.446 -3.207 1.00 97.07 C -12.527 0.484 -2.463 1.00 97.07 O -11.248 -2.153 -4.205 1.00 97.07 C -10.195 -1.096 -4.462 1.00 97.07 C -10.248 -0.298 -5.620 1.00 97.07 C -9.169 -0.892 -3.521 1.00 97.07 C -9.265 0.687 -5.834 1.00 97.07 C -8.192 0.097 -3.725 1.00 97.07 C -8.234 0.885 -4.892 1.00 97.07 C -7.299 1.848 -5.104 1.00 97.07 O -13.814 -0.340 -4.106 1.00 96.29 N -14.609 0.873 -4.300 1.00 96.29 C -15.279 1.345 -3.002 1.00 96.29 C -15.182 2.514 -2.616 1.00 96.29 O -15.668 0.583 -5.368 1.00 96.29 C -16.667 1.703 -5.537 1.00 96.29 C -17.915 1.662 -4.884 1.00 96.29 C -16.338 2.782 -6.370 1.00 96.29 C -18.848 2.694 -5.097 1.00 96.29 C -17.255 3.821 -6.579 1.00 96.29 C -18.521 3.757 -5.968 1.00 96.29 C -19.456 4.673 -6.322 1.00 96.29 O -15.932 0.424 -2.293 1.00 96.60 N -16.611 0.716 -1.037 1.00 96.60 C -15.625 1.136 0.060 1.00 96.60 C -15.960 2.004 0.871 1.00 96.60 O -17.420 -0.524 -0.626 1.00 96.60 C -18.293 -0.306 0.616 1.00 96.60 C -19.341 0.778 0.404 1.00 96.60 C -19.178 1.943 0.990 1.00 96.60 N -20.319 0.607 -0.296 1.00 96.60 O -14.428 0.542 0.087 1.00 96.50 N -13.355 0.917 1.005 1.00 96.50 C -12.842 2.332 0.716 1.00 96.50 C -12.823 3.149 1.634 1.00 96.50 O -12.233 -0.129 0.962 1.00 96.50 C -11.106 0.157 1.901 1.00 96.50 C -10.984 -0.315 3.164 1.00 96.50 C -9.935 1.002 1.670 1.00 96.50 C -9.190 1.067 2.882 1.00 96.50 C -9.418 1.713 0.566 1.00 96.50 C -9.840 0.207 3.738 1.00 96.50 N -8.028 1.837 3.014 1.00 96.50 C -8.226 2.458 0.683 1.00 96.50 C -7.534 2.527 1.901 1.00 96.50 C -12.545 2.661 -0.548 1.00 95.26 N -12.118 4.007 -0.956 1.00 95.26 C -13.140 5.073 -0.545 1.00 95.26 C -12.783 6.072 0.079 1.00 95.26 O -11.910 4.052 -2.483 1.00 95.26 C -10.670 3.318 -3.024 1.00 95.26 C -10.659 3.426 -4.542 1.00 95.26 C -9.369 3.926 -2.529 1.00 95.26 C -14.431 4.823 -0.810 1.00 94.94 N -15.519 5.713 -0.378 1.00 94.94 C -15.607 5.857 1.137 1.00 94.94 C -15.867 6.947 1.635 1.00 94.94 O -16.866 5.206 -0.909 1.00 94.94 C -17.109 5.682 -2.342 1.00 94.94 C -18.583 5.500 -2.721 1.00 94.94 C -18.898 6.397 -3.917 1.00 94.94 C -20.323 6.295 -4.318 1.00 94.94 N1+ -15.435 4.758 1.872 1.00 95.19 N -15.548 4.749 3.335 1.00 95.19 C -14.406 5.507 4.004 1.00 95.19 C -14.646 6.191 4.995 1.00 95.19 O -15.603 3.298 3.815 1.00 95.19 C -15.875 3.213 5.318 1.00 95.19 C -15.870 1.750 5.748 1.00 95.19 C -16.354 1.615 7.131 1.00 95.19 N -16.604 0.478 7.750 1.00 95.19 C -16.332 -0.679 7.218 1.00 95.19 N1+ -17.132 0.480 8.942 1.00 95.19 N -13.193 5.361 3.485 1.00 93.73 N -11.998 6.009 4.030 1.00 93.73 C -11.744 7.397 3.418 1.00 93.73 C -10.874 8.118 3.895 1.00 93.73 O -10.789 5.072 3.894 1.00 93.73 C -10.979 3.682 4.530 1.00 93.73 C -11.385 3.671 6.014 1.00 93.73 C -12.477 3.136 6.343 1.00 93.73 O -10.550 3.949 6.901 1.00 93.73 O1- -12.542 7.799 2.421 1.00 92.87 N -12.456 9.081 1.720 1.00 92.87 C -11.068 9.330 1.100 1.00 92.87 C -10.475 10.396 1.270 1.00 92.87 O -12.964 10.202 2.642 1.00 92.87 C -13.215 11.486 1.876 1.00 92.87 C -12.643 12.587 2.300 1.00 92.87 N -13.945 11.519 0.902 1.00 92.87 O -10.549 8.325 0.391 1.00 91.06 N -9.244 8.371 -0.287 1.00 91.06 C -9.388 8.050 -1.776 1.00 91.06 C -10.341 7.389 -2.189 1.00 91.06 O -8.198 7.468 0.400 1.00 91.06 C -7.923 7.908 1.839 1.00 91.06 C -8.595 5.993 0.411 1.00 91.06 C -8.438 8.526 -2.587 1.00 90.84 N -8.401 8.302 -4.039 1.00 90.84 C -7.029 7.777 -4.483 1.00 90.84 C -6.009 8.290 -4.001 1.00 90.84 O -8.766 9.586 -4.800 1.00 90.84 C -8.390 9.467 -6.161 1.00 90.84 O -6.977 6.815 -5.429 1.00 86.39 N -5.722 6.288 -5.969 1.00 86.39 C -4.871 7.348 -6.692 1.00 86.39 C -3.657 7.177 -6.799 1.00 86.39 O -6.138 5.149 -6.910 1.00 86.39 C -7.541 5.545 -7.361 1.00 86.39 C -8.114 6.202 -6.111 1.00 86.39 C -5.462 8.466 -7.126 1.00 87.56 N -4.763 9.513 -7.892 1.00 87.56 C -3.905 10.441 -7.015 1.00 87.56 C -3.055 11.177 -7.508 1.00 87.56 O -5.782 10.339 -8.687 1.00 87.56 C -6.681 9.477 -9.570 1.00 87.56 C -6.201 8.487 -10.173 1.00 87.56 O -7.898 9.753 -9.565 1.00 87.56 O1- -4.079 10.394 -5.692 1.00 80.35 N -3.394 11.284 -4.731 1.00 80.35 C -1.928 10.921 -4.461 1.00 80.35 C -1.279 11.481 -3.573 1.00 80.35 O -4.174 11.375 -3.412 1.00 80.35 C -5.558 11.982 -3.627 1.00 80.35 C -4.325 10.106 -2.808 1.00 80.35 O -1.359 9.964 -5.202 1.00 85.47 N -0.015 9.441 -4.934 1.00 85.47 C 1.071 10.368 -5.481 1.00 85.47 C 1.234 10.511 -6.686 1.00 85.47 O 0.114 8.016 -5.498 1.00 85.47 C -0.819 6.995 -4.826 1.00 85.47 C -0.483 6.774 -3.347 1.00 85.47 C -1.346 5.737 -2.772 1.00 85.47 N -1.253 5.168 -1.590 1.00 85.47 C -0.320 5.453 -0.722 1.00 85.47 N1+ -2.158 4.324 -1.246 1.00 85.47 N 1.905 10.904 -4.584 1.00 84.88 N 3.088 11.673 -4.975 1.00 84.88 C 4.053 10.838 -5.849 1.00 84.88 C 4.252 9.654 -5.545 1.00 84.88 O 3.799 12.193 -3.719 1.00 84.88 C 4.682 11.425 -6.883 1.00 87.52 N 5.623 10.720 -7.751 1.00 87.52 C 6.919 10.358 -7.015 1.00 87.52 C 7.315 11.044 -6.076 1.00 87.52 O 5.875 11.667 -8.928 1.00 87.52 C 5.674 13.048 -8.308 1.00 87.52 C 4.556 12.816 -7.294 1.00 87.52 C 7.568 9.282 -7.464 1.00 92.26 N 8.903 8.849 -7.014 1.00 92.26 C 9.956 9.680 -7.748 1.00 92.26 C 9.843 9.847 -8.963 1.00 92.26 O 9.088 7.343 -7.295 1.00 92.26 C 10.467 6.805 -6.907 1.00 92.26 C 8.037 6.522 -6.531 1.00 92.26 C 10.941 10.220 -7.025 1.00 92.37 N 11.932 11.176 -7.549 1.00 92.37 C 13.381 10.825 -7.208 1.00 92.37 C 14.264 11.182 -7.969 1.00 92.37 O 11.627 12.585 -7.013 1.00 92.37 C 10.223 13.100 -7.366 1.00 92.37 C 10.051 14.540 -6.868 1.00 92.37 C 8.611 15.004 -7.100 1.00 92.37 C 8.403 16.399 -6.635 1.00 92.37 N1+ 13.656 10.165 -6.090 1.00 94.08 N 14.991 10.042 -5.480 1.00 94.08 C 15.585 8.621 -5.567 1.00 94.08 C 16.498 8.257 -4.812 1.00 94.08 O 14.916 10.540 -4.028 1.00 94.08 C 14.246 11.890 -3.847 1.00 94.08 C 14.830 13.047 -4.393 1.00 94.08 C 13.023 11.989 -3.157 1.00 94.08 C 14.226 14.302 -4.207 1.00 94.08 C 12.404 13.240 -2.999 1.00 94.08 C 13.014 14.401 -3.502 1.00 94.08 C 15.034 7.789 -6.453 1.00 95.01 N 15.523 6.438 -6.750 1.00 95.01 C 16.196 6.459 -8.121 1.00 95.01 C 15.533 6.772 -9.103 1.00 95.01 O 14.374 5.405 -6.671 1.00 95.01 C 13.786 5.380 -5.239 1.00 95.01 C 14.881 4.011 -7.090 1.00 95.01 C 12.631 4.396 -5.032 1.00 95.01 C 17.482 6.098 -8.175 1.00 94.27 N 18.311 6.256 -9.378 1.00 94.27 C 17.953 5.287 -10.510 1.00 94.27 C 17.934 5.663 -11.680 1.00 94.27 O 19.799 6.108 -9.025 1.00 94.27 C 20.299 7.108 -7.975 1.00 94.27 C 20.051 8.321 -8.127 1.00 94.27 O 20.938 6.632 -7.008 1.00 94.27 O1- 17.700 4.017 -10.193 1.00 95.48 N 17.376 3.016 -11.207 1.00 95.48 C 15.895 3.124 -11.635 1.00 95.48 C 15.013 3.052 -10.773 1.00 95.48 O 17.777 1.621 -10.724 1.00 95.48 C 17.394 0.579 -11.771 1.00 95.48 C 18.170 0.442 -12.739 1.00 95.48 O 16.285 0.013 -11.664 1.00 95.48 O1- 15.585 3.284 -12.940 1.00 95.97 N 14.205 3.435 -13.407 1.00 95.97 C 13.303 2.246 -13.062 1.00 95.97 C 12.129 2.434 -12.739 1.00 95.97 O 14.298 3.607 -14.929 1.00 95.97 C 15.706 4.146 -15.157 1.00 95.97 C 16.516 3.492 -14.043 1.00 95.97 C 13.837 1.020 -13.101 1.00 96.71 N 13.062 -0.180 -12.786 1.00 96.71 C 12.769 -0.255 -11.286 1.00 96.71 C 11.640 -0.520 -10.880 1.00 96.71 O 13.805 -1.428 -13.291 1.00 96.71 C 12.965 -2.698 -13.130 1.00 96.71 C 11.357 -2.669 -13.968 1.00 96.71 S 11.874 -2.653 -15.704 1.00 96.71 C 13.757 0.045 -10.446 1.00 97.36 N 13.579 0.182 -9.001 1.00 97.36 C 12.583 1.295 -8.645 1.00 97.36 C 11.744 1.101 -7.763 1.00 97.36 O 14.945 0.471 -8.378 1.00 97.36 C 15.934 -0.670 -8.309 1.00 97.36 C 15.755 -1.962 -8.727 1.00 97.36 C 17.196 -0.562 -7.723 1.00 97.36 N 17.760 -1.774 -7.836 1.00 97.36 C 16.921 -2.639 -8.424 1.00 97.36 N 12.624 2.430 -9.349 1.00 96.12 N 11.668 3.521 -9.173 1.00 96.12 C 10.238 3.081 -9.529 1.00 96.12 C 9.302 3.360 -8.774 1.00 96.12 O 12.122 4.722 -10.010 1.00 96.12 C 10.072 2.328 -10.624 1.00 96.38 N 8.791 1.724 -10.991 1.00 96.38 C 8.295 0.735 -9.928 1.00 96.38 C 7.155 0.848 -9.480 1.00 96.38 O 8.875 1.044 -12.367 1.00 96.38 C 7.598 0.289 -12.684 1.00 96.38 C 7.530 -1.104 -12.484 1.00 96.38 C 6.443 1.007 -13.049 1.00 96.38 C 6.292 -1.768 -12.592 1.00 96.38 C 5.203 0.349 -13.148 1.00 96.38 C 5.122 -1.034 -12.886 1.00 96.38 C 3.912 -1.650 -12.907 1.00 96.38 O 9.141 -0.190 -9.465 1.00 97.09 N 8.783 -1.174 -8.427 1.00 97.09 C 8.330 -0.465 -7.149 1.00 97.09 C 7.308 -0.824 -6.561 1.00 97.09 O 9.974 -2.119 -8.154 1.00 97.09 C 10.180 -3.039 -9.375 1.00 97.09 C 9.764 -2.972 -6.885 1.00 97.09 C 11.517 -3.783 -9.357 1.00 97.09 C 9.050 0.579 -6.736 1.00 96.61 N 8.692 1.351 -5.553 1.00 96.61 C 7.374 2.120 -5.734 1.00 96.61 C 6.528 2.123 -4.833 1.00 96.61 O 9.849 2.287 -5.203 1.00 96.61 C 9.668 2.918 -3.842 1.00 96.61 C 9.259 4.257 -3.729 1.00 96.61 C 9.875 2.146 -2.685 1.00 96.61 C 9.039 4.821 -2.463 1.00 96.61 C 9.655 2.708 -1.418 1.00 96.61 C 9.220 4.038 -1.312 1.00 96.61 C 7.152 2.721 -6.912 1.00 94.93 N 5.869 3.339 -7.284 1.00 94.93 C 4.731 2.315 -7.223 1.00 94.93 C 3.716 2.580 -6.579 1.00 94.93 O 5.991 3.972 -8.683 1.00 94.93 C 4.667 4.580 -9.172 1.00 94.93 C 4.746 5.024 -10.637 1.00 94.93 C 3.325 5.346 -11.113 1.00 94.93 C 3.252 5.612 -12.569 1.00 94.93 N1+ 4.912 1.143 -7.839 1.00 95.74 N 3.931 0.051 -7.881 1.00 95.74 C 3.568 -0.422 -6.479 1.00 95.74 C 2.385 -0.497 -6.158 1.00 95.74 O 4.497 -1.100 -8.736 1.00 95.74 C 3.573 -2.324 -8.841 1.00 95.74 C 2.270 -1.974 -9.559 1.00 95.74 C 1.369 -3.133 -9.658 1.00 95.74 N 0.212 -3.116 -10.294 1.00 95.74 C -0.161 -2.074 -10.966 1.00 95.74 N1+ -0.580 -4.144 -10.265 1.00 95.74 N 4.567 -0.668 -5.633 1.00 95.34 N 4.368 -1.002 -4.221 1.00 95.34 C 3.465 0.028 -3.524 1.00 95.34 C 2.470 -0.346 -2.903 1.00 95.34 O 5.738 -1.112 -3.528 1.00 95.34 C 5.695 -0.844 -2.036 1.00 95.34 C 6.349 0.286 -1.509 1.00 95.34 C 4.916 -1.665 -1.197 1.00 95.34 C 6.225 0.597 -0.143 1.00 95.34 C 4.773 -1.344 0.165 1.00 95.34 C 5.429 -0.215 0.693 1.00 95.34 C 5.310 0.098 2.007 1.00 95.34 O 3.762 1.324 -3.679 1.00 94.46 N 2.973 2.402 -3.064 1.00 94.46 C 1.547 2.485 -3.600 1.00 94.46 C 0.643 2.778 -2.827 1.00 94.46 O 3.680 3.744 -3.265 1.00 94.46 C 4.918 3.876 -2.367 1.00 94.46 C 5.635 5.210 -2.592 1.00 94.46 C 4.726 6.356 -2.388 1.00 94.46 N 4.627 7.413 -3.174 1.00 94.46 C 5.493 7.674 -4.102 1.00 94.46 N1+ 3.639 8.251 -3.061 1.00 94.46 N 1.339 2.242 -4.891 1.00 93.95 N 0.000 2.213 -5.482 1.00 93.95 C -0.816 1.006 -5.002 1.00 93.95 C -2.021 1.122 -4.806 1.00 93.95 O 0.113 2.215 -7.010 1.00 93.95 C 0.537 3.580 -7.564 1.00 93.95 C 0.646 3.586 -9.086 1.00 93.95 C -0.026 4.491 -9.760 1.00 93.95 N 1.370 2.813 -9.694 1.00 93.95 O -0.167 -0.133 -4.746 1.00 95.67 N -0.844 -1.340 -4.268 1.00 95.67 C -1.216 -1.299 -2.778 1.00 95.67 C -2.017 -2.115 -2.330 1.00 95.67 O 0.010 -2.572 -4.585 1.00 95.67 C 0.228 -2.766 -6.376 1.00 95.67 S -0.676 -0.348 -2.013 1.00 95.26 N -0.931 -0.196 -0.579 1.00 95.26 C -2.429 -0.200 -0.222 1.00 95.26 C -2.854 -0.915 0.687 1.00 95.26 O -0.270 1.111 -0.140 1.00 95.26 C -0.547 1.471 1.291 1.00 95.26 C -1.369 2.470 1.728 1.00 95.26 C -0.087 0.807 2.403 1.00 95.26 N -0.626 1.391 3.486 1.00 95.26 C -1.338 2.457 3.113 1.00 95.26 N -3.254 0.530 -0.977 1.00 95.41 N -4.697 0.607 -0.709 1.00 95.41 C -5.416 -0.712 -1.008 1.00 95.41 C -6.391 -1.057 -0.337 1.00 95.41 O -5.332 1.737 -1.527 1.00 95.41 C -4.823 3.117 -1.123 1.00 95.41 C -4.341 3.285 0.018 1.00 95.41 O -4.739 3.986 -2.019 1.00 95.41 O1- -4.917 -1.505 -1.964 1.00 96.91 N -5.437 -2.855 -2.179 1.00 96.91 C -5.194 -3.739 -0.958 1.00 96.91 C -6.059 -4.547 -0.618 1.00 96.91 O -4.839 -3.502 -3.436 1.00 96.91 C -5.230 -2.844 -4.744 1.00 96.91 C -6.587 -2.645 -5.059 1.00 96.91 C -4.247 -2.492 -5.684 1.00 96.91 C -6.956 -2.079 -6.290 1.00 96.91 C -4.617 -1.913 -6.910 1.00 96.91 C -5.970 -1.701 -7.212 1.00 96.91 C -4.076 -3.557 -0.249 1.00 97.73 N -3.787 -4.307 0.975 1.00 97.73 C -4.751 -3.933 2.100 1.00 97.73 C -5.251 -4.817 2.801 1.00 97.73 O -2.337 -4.101 1.422 1.00 97.73 C -1.274 -4.268 0.353 1.00 97.73 C -1.470 -5.087 -0.779 1.00 97.73 C -0.066 -3.569 0.503 1.00 97.73 C -0.467 -5.176 -1.760 1.00 97.73 C 0.946 -3.665 -0.468 1.00 97.73 C 0.745 -4.480 -1.601 1.00 97.73 C 1.713 -4.594 -2.545 1.00 97.73 O -5.083 -2.649 2.239 1.00 97.52 N -6.132 -2.226 3.161 1.00 97.52 C -7.500 -2.810 2.785 1.00 97.52 C -8.184 -3.373 3.643 1.00 97.52 O -6.221 -0.707 3.203 1.00 97.52 C -5.222 -0.060 4.111 1.00 97.52 C -3.954 0.345 3.799 1.00 97.52 C -5.441 0.252 5.434 1.00 97.52 N -4.328 0.831 5.911 1.00 97.52 C -3.380 0.842 4.970 1.00 97.52 N -7.891 -2.733 1.513 1.00 96.96 N -9.194 -3.206 1.058 1.00 96.96 C -9.355 -4.729 1.186 1.00 96.96 C -10.361 -5.205 1.721 1.00 96.96 O -9.393 -2.742 -0.381 1.00 96.96 C -8.355 -5.517 0.768 1.00 97.43 N -8.435 -6.986 0.817 1.00 97.43 C -8.509 -7.500 2.261 1.00 97.43 C -9.204 -8.484 2.529 1.00 97.43 O -7.286 -7.635 0.003 1.00 97.43 C -7.507 -9.132 -0.297 1.00 97.43 C -5.928 -7.517 0.703 1.00 97.43 C -8.710 -9.415 -1.199 1.00 97.43 C -7.868 -6.801 3.202 1.00 97.32 N -7.843 -7.137 4.638 1.00 97.32 C -8.915 -6.416 5.467 1.00 97.32 C -9.034 -6.671 6.665 1.00 97.32 O -6.468 -6.855 5.249 1.00 97.32 C -5.321 -7.592 4.557 1.00 97.32 C -6.220 -5.479 5.184 1.00 97.32 O -9.713 -5.535 4.849 1.00 96.29 N -10.700 -4.666 5.503 1.00 96.29 C -10.107 -3.745 6.601 1.00 96.29 C -10.802 -3.346 7.545 1.00 96.29 O -11.910 -5.517 5.946 1.00 96.29 C -13.084 -4.696 6.458 1.00 96.29 C -13.771 -5.193 7.465 1.00 96.29 N -13.393 -3.615 5.979 1.00 96.29 O -8.830 -3.369 6.497 1.00 97.09 N -8.183 -2.488 7.474 1.00 97.09 C -8.479 -1.001 7.223 1.00 97.09 C -8.404 -0.546 6.084 1.00 97.09 O -6.679 -2.758 7.572 1.00 97.09 C -6.363 -4.069 8.308 1.00 97.09 C -6.891 -4.151 10.054 1.00 97.09 S -8.506 -4.963 9.888 1.00 97.09 C -8.833 -0.221 8.262 1.00 95.91 N -8.991 1.236 8.163 1.00 95.91 C -7.664 1.982 8.020 1.00 95.91 C -6.627 1.456 8.425 1.00 95.91 O -9.681 1.651 9.465 1.00 95.91 C -9.231 0.582 10.456 1.00 95.91 C -9.109 -0.677 9.618 1.00 95.91 C -7.737 3.243 7.585 1.00 93.65 N -6.586 4.172 7.529 1.00 93.65 C -6.284 4.864 8.872 1.00 93.65 C -5.499 5.803 8.973 1.00 93.65 O -6.737 5.203 6.389 1.00 93.65 C -7.915 6.171 6.644 1.00 93.65 C -6.860 4.483 5.037 1.00 93.65 C -7.959 7.358 5.681 1.00 93.65 C -6.935 4.441 9.961 1.00 92.70 N -6.578 4.933 11.298 1.00 92.70 C -5.202 4.388 11.686 1.00 92.70 C -4.860 3.269 11.323 1.00 92.70 O -7.644 4.610 12.365 1.00 92.70 C -7.662 3.110 12.720 1.00 92.70 C -9.016 5.163 11.939 1.00 92.70 C -8.851 2.673 13.577 1.00 92.70 C -4.474 5.104 12.544 1.00 91.73 N -3.096 4.755 12.936 1.00 91.73 C -2.872 3.278 13.330 1.00 91.73 C -1.855 2.697 12.985 1.00 91.73 O -2.631 5.726 14.044 1.00 91.73 C -1.108 5.601 14.257 1.00 91.73 C -3.439 5.543 15.350 1.00 91.73 C -0.499 6.740 15.085 1.00 91.73 C -3.816 2.633 14.026 1.00 93.68 N -3.722 1.199 14.357 1.00 93.68 C -3.778 0.311 13.098 1.00 93.68 C -3.028 -0.657 13.004 1.00 93.68 O -4.868 0.818 15.319 1.00 93.68 C -4.686 1.251 16.783 1.00 93.68 C -6.007 1.141 17.579 1.00 93.68 C -6.212 0.183 18.364 1.00 93.68 O -6.846 2.077 17.483 1.00 93.68 O1- -4.650 0.639 12.141 1.00 95.40 N -4.780 -0.065 10.865 1.00 95.40 C -3.590 0.188 9.940 1.00 95.40 C -3.040 -0.770 9.409 1.00 95.40 O -3.111 1.431 9.860 1.00 94.21 N -1.886 1.795 9.131 1.00 94.21 C -0.683 0.980 9.608 1.00 94.21 C -0.024 0.307 8.820 1.00 94.21 O -1.583 3.288 9.342 1.00 94.21 C -2.545 4.197 8.573 1.00 94.21 C -2.466 3.971 7.059 1.00 94.21 C -3.528 4.127 6.424 1.00 94.21 O -1.360 3.600 6.596 1.00 94.21 O1- -0.435 0.951 10.922 1.00 94.70 N 0.684 0.182 11.486 1.00 94.70 C 0.535 -1.313 11.187 1.00 94.70 C 1.518 -2.001 10.919 1.00 94.70 O 0.800 0.431 13.003 1.00 94.70 C 1.158 1.902 13.286 1.00 94.70 C 1.911 -0.465 13.576 1.00 94.70 C 0.929 2.307 14.748 1.00 94.70 C -0.697 -1.816 11.216 1.00 96.73 N -1.002 -3.216 10.918 1.00 96.73 C -0.666 -3.562 9.466 1.00 96.73 C -0.006 -4.573 9.221 1.00 96.73 O -2.476 -3.494 11.228 1.00 96.73 C -2.868 -4.931 10.938 1.00 96.73 C -2.727 -3.245 12.591 1.00 96.73 O -1.056 -2.717 8.508 1.00 96.90 N -0.717 -2.913 7.094 1.00 96.90 C 0.778 -2.729 6.855 1.00 96.90 C 1.366 -3.550 6.159 1.00 96.90 O -1.585 -2.017 6.186 1.00 96.90 C -3.070 -2.428 6.281 1.00 96.90 C -1.118 -2.068 4.719 1.00 96.90 C -3.384 -3.884 5.930 1.00 96.90 C 1.435 -1.762 7.505 1.00 95.76 N 2.898 -1.621 7.426 1.00 95.76 C 3.637 -2.851 7.950 1.00 95.76 C 4.608 -3.288 7.340 1.00 95.76 O 3.369 -0.339 8.149 1.00 95.76 C 2.966 1.009 7.512 1.00 95.76 C 3.000 0.937 5.989 1.00 95.76 C 2.774 2.237 5.229 1.00 95.76 C 2.617 1.882 3.796 1.00 95.76 N1+ 3.168 -3.464 9.032 1.00 96.83 N 3.748 -4.713 9.517 1.00 96.83 C 3.543 -5.872 8.524 1.00 96.83 C 4.460 -6.667 8.321 1.00 96.83 O 3.156 -5.021 10.892 1.00 96.83 C 2.376 -5.946 7.876 1.00 97.79 N 2.090 -6.939 6.837 1.00 97.79 C 2.988 -6.734 5.609 1.00 97.79 C 3.584 -7.692 5.126 1.00 97.79 O 0.585 -6.885 6.514 1.00 97.79 C 0.112 -7.921 5.477 1.00 97.79 C -1.373 -8.219 5.701 1.00 97.79 C 0.254 -7.428 4.034 1.00 97.79 C 3.135 -5.494 5.140 1.00 97.02 N 4.042 -5.118 4.048 1.00 97.02 C 5.500 -5.427 4.396 1.00 97.02 C 6.229 -5.980 3.578 1.00 97.02 O 3.921 -3.612 3.767 1.00 97.02 C 2.601 -3.221 3.095 1.00 97.02 C 2.424 -1.698 2.968 1.00 97.02 C 1.608 -1.274 2.130 1.00 97.02 O 3.064 -0.900 3.692 1.00 97.02 O1- 5.931 -5.116 5.619 1.00 96.20 N 7.270 -5.441 6.103 1.00 96.20 C 7.532 -6.947 6.119 1.00 96.20 C 8.591 -7.384 5.685 1.00 96.20 O 6.555 -7.742 6.556 1.00 96.84 N 6.658 -9.198 6.594 1.00 96.84 C 6.600 -9.852 5.201 1.00 96.84 C 7.312 -10.821 4.960 1.00 96.84 O 5.543 -9.713 7.509 1.00 96.84 C 5.767 -9.341 4.290 1.00 97.06 N 5.562 -9.938 2.966 1.00 97.06 C 6.564 -9.450 1.910 1.00 97.06 C 7.028 -10.231 1.085 1.00 97.06 O 4.123 -9.633 2.527 1.00 97.06 C 3.784 -10.312 1.216 1.00 97.06 C 3.601 -11.608 1.229 1.00 97.06 N 3.662 -9.679 0.180 1.00 97.06 O 6.868 -8.151 1.917 1.00 96.42 N 7.664 -7.476 0.889 1.00 96.42 C 9.045 -7.048 1.401 1.00 96.42 C 9.895 -6.662 0.605 1.00 96.42 O 6.873 -6.260 0.363 1.00 96.42 C 5.475 -6.561 -0.200 1.00 96.42 C 4.837 -5.263 -0.695 1.00 96.42 C 5.528 -7.551 -1.361 1.00 96.42 C 9.285 -7.070 2.715 1.00 94.74 N 10.564 -6.647 3.288 1.00 94.74 C 10.802 -5.136 3.235 1.00 94.74 C 11.953 -4.709 3.268 1.00 94.74 O 9.747 -4.317 3.128 1.00 92.90 N 9.875 -2.856 2.981 1.00 92.90 C 10.497 -2.245 4.247 1.00 92.90 C 9.835 -2.231 5.291 1.00 92.90 O 8.530 -2.179 2.671 1.00 92.90 C 8.734 -0.663 2.500 1.00 92.90 C 7.869 -2.716 1.397 1.00 92.90 C 11.711 -1.657 4.183 1.00 92.42 N 12.418 -1.191 5.378 1.00 92.42 C 11.648 -0.128 6.166 1.00 92.42 C 11.520 -0.231 7.385 1.00 92.42 O 13.767 -0.663 4.878 1.00 92.42 C 14.010 -1.472 3.607 1.00 92.42 C 12.605 -1.596 3.030 1.00 92.42 C 11.058 0.858 5.481 1.00 90.19 N 10.242 1.883 6.142 1.00 90.19 C 9.003 1.299 6.825 1.00 90.19 C 8.609 1.756 7.894 1.00 90.19 O 9.824 2.957 5.127 1.00 90.19 C 8.953 4.051 5.749 1.00 90.19 C 9.647 4.779 7.255 1.00 90.19 S 8.150 5.578 7.880 1.00 90.19 C 8.385 0.275 6.236 1.00 89.56 N 7.211 -0.354 6.824 1.00 89.56 C 7.584 -1.103 8.117 1.00 89.56 C 6.878 -0.994 9.120 1.00 89.56 O 6.567 -1.248 5.763 1.00 89.56 C 8.750 -1.761 8.133 1.00 92.07 N 9.326 -2.393 9.330 1.00 92.07 C 9.623 -1.341 10.411 1.00 92.07 C 9.183 -1.491 11.552 1.00 92.07 O 10.588 -3.207 8.953 1.00 92.07 C 10.223 -4.367 7.997 1.00 92.07 C 11.286 -3.753 10.214 1.00 92.07 C 11.431 -5.034 7.328 1.00 92.07 C 10.311 -0.249 10.056 1.00 89.93 N 10.611 0.846 10.988 1.00 89.93 C 9.334 1.481 11.551 1.00 89.93 C 9.225 1.675 12.762 1.00 89.93 O 11.467 1.914 10.281 1.00 89.93 C 12.918 1.494 9.989 1.00 89.93 C 13.592 2.575 9.142 1.00 89.93 C 13.733 1.309 11.272 1.00 89.93 C 8.342 1.747 10.699 1.00 86.43 N 7.028 2.244 11.103 1.00 86.43 C 6.309 1.277 12.045 1.00 86.43 C 5.782 1.702 13.071 1.00 86.43 O 6.369 -0.027 11.761 1.00 86.92 N 5.834 -1.088 12.616 1.00 86.92 C 6.414 -1.100 14.034 1.00 86.92 C 5.696 -1.398 14.987 1.00 86.92 O 7.689 -0.734 14.182 1.00 89.72 N 8.404 -0.707 15.467 1.00 89.72 C 8.212 0.631 16.195 1.00 89.72 C 7.938 0.648 17.397 1.00 89.72 O 9.900 -1.034 15.230 1.00 89.72 C 10.059 -2.482 14.705 1.00 89.72 C 10.724 -0.853 16.520 1.00 89.72 C 11.457 -2.794 14.157 1.00 89.72 C 8.347 1.754 15.484 1.00 88.46 N 8.421 3.090 16.086 1.00 88.46 C 7.054 3.759 16.266 1.00 88.46 C 6.828 4.436 17.272 1.00 88.46 O 9.357 3.977 15.243 1.00 88.46 C 10.822 3.503 15.170 1.00 88.46 C 11.618 4.456 14.277 1.00 88.46 C 11.491 3.464 16.547 1.00 88.46 C 6.109 3.570 15.342 1.00 87.29 N 4.797 4.213 15.430 1.00 87.29 C 3.953 3.779 16.654 1.00 87.29 C 3.273 4.638 17.229 1.00 87.29 O 4.053 4.008 14.113 1.00 87.29 C 4.015 2.521 17.152 1.00 89.90 N 3.329 2.123 18.385 1.00 89.90 C 3.707 2.936 19.630 1.00 89.90 C 2.924 2.983 20.585 1.00 89.90 O 3.685 0.650 18.604 1.00 89.90 C 3.964 0.139 17.199 1.00 89.90 C 4.597 1.342 16.515 1.00 89.90 C 4.876 3.590 19.644 1.00 89.08 N 5.330 4.409 20.774 1.00 89.08 C 4.429 5.630 21.011 1.00 89.08 C 4.297 6.079 22.148 1.00 89.08 O 6.793 4.838 20.551 1.00 89.08 C 7.798 3.676 20.417 1.00 89.08 C 9.194 4.231 20.141 1.00 89.08 C 7.856 2.826 21.691 1.00 89.08 C 3.743 6.111 19.968 1.00 85.48 N 2.820 7.259 20.021 1.00 85.48 C 1.396 6.888 20.432 1.00 85.48 C 0.556 7.761 20.640 1.00 85.48 O 2.821 7.938 18.647 1.00 85.48 C 4.185 8.564 18.340 1.00 85.48 C 4.173 9.169 16.940 1.00 85.48 C 5.280 10.120 16.797 1.00 85.48 N 5.175 11.399 16.521 1.00 85.48 C 4.051 11.941 16.143 1.00 85.48 N1+ 6.220 12.156 16.631 1.00 85.48 N 1.095 5.596 20.531 1.00 89.48 N -0.256 5.119 20.797 1.00 89.48 C -0.600 5.128 22.285 1.00 89.48 C 0.223 4.826 23.154 1.00 89.48 O -0.441 3.720 20.198 1.00 89.48 C -0.373 3.653 18.666 1.00 89.48 C -0.664 2.214 18.243 1.00 89.48 C -1.409 4.555 18.001 1.00 89.48 C -1.886 5.353 22.586 1.00 92.73 N -2.424 5.133 23.936 1.00 92.73 C -2.192 3.675 24.342 1.00 92.73 C -2.332 2.772 23.515 1.00 92.73 O -3.917 5.506 23.993 1.00 92.73 C -4.148 7.001 23.714 1.00 92.73 C -5.632 7.396 23.782 1.00 92.73 C -5.741 8.899 23.478 1.00 92.73 C -7.135 9.413 23.524 1.00 92.73 N1+ -1.949 3.420 25.637 1.00 94.04 N -1.696 2.065 26.189 1.00 94.04 C -2.699 1.015 25.688 1.00 94.04 C -2.330 -0.108 25.371 1.00 94.04 O -1.725 2.095 27.732 1.00 94.04 C -0.581 2.903 28.372 1.00 94.04 C -0.590 2.775 29.910 1.00 94.04 C 0.554 3.588 30.548 1.00 94.04 C 0.596 3.466 32.034 1.00 94.04 N1+ -3.965 1.410 25.577 1.00 92.63 N -5.066 0.588 25.066 1.00 92.63 C -4.877 0.158 23.610 1.00 92.63 C -5.024 -1.022 23.301 1.00 92.63 O -6.364 1.394 25.210 1.00 92.63 C -7.504 0.787 24.400 1.00 92.63 C -6.751 1.499 26.691 1.00 92.63 C -4.583 1.111 22.727 1.00 94.34 N -4.391 0.859 21.298 1.00 94.34 C -3.155 -0.011 21.097 1.00 94.34 C -3.205 -1.018 20.403 1.00 94.34 O -4.212 2.197 20.576 1.00 94.34 C -5.459 3.081 20.630 1.00 94.34 C -5.166 4.425 19.988 1.00 94.34 C -5.722 4.692 18.829 1.00 94.34 N -4.428 5.236 20.529 1.00 94.34 O -2.078 0.311 21.821 1.00 94.97 N -0.837 -0.461 21.822 1.00 94.97 C -1.047 -1.913 22.270 1.00 94.97 C -0.554 -2.820 21.614 1.00 94.97 O 0.179 0.300 22.679 1.00 94.97 C 1.570 -0.316 22.548 1.00 94.97 C 2.645 0.603 23.126 1.00 94.97 C 2.560 0.698 24.597 1.00 94.97 N 2.867 1.769 25.306 1.00 94.97 C 3.158 2.912 24.751 1.00 94.97 N1+ 2.905 1.699 26.608 1.00 94.97 N -1.831 -2.153 23.329 1.00 95.11 N -2.186 -3.514 23.775 1.00 95.11 C -2.964 -4.281 22.702 1.00 95.11 C -2.672 -5.445 22.461 1.00 95.11 O -2.960 -3.452 25.107 1.00 95.11 C -3.228 -4.855 25.683 1.00 95.11 C -3.909 -4.814 27.062 1.00 95.11 C -4.084 -6.250 27.588 1.00 95.11 C -4.682 -6.314 28.951 1.00 95.11 N1+ -3.940 -3.641 22.048 1.00 95.46 N -4.708 -4.266 20.958 1.00 95.46 C -3.807 -4.616 19.771 1.00 95.46 C -3.897 -5.717 19.238 1.00 95.46 O -5.842 -3.322 20.535 1.00 95.46 C -6.820 -4.027 19.589 1.00 95.46 C -7.820 -3.042 18.985 1.00 95.46 C -8.750 -2.502 19.985 1.00 95.46 N -9.332 -1.330 19.877 1.00 95.46 C -8.869 -0.391 19.107 1.00 95.46 N1+ -10.425 -1.089 20.549 1.00 95.46 N -2.931 -3.690 19.402 1.00 96.00 N -1.977 -3.848 18.317 1.00 96.00 C -1.019 -5.024 18.580 1.00 96.00 C -0.945 -5.923 17.751 1.00 96.00 O -1.276 -2.493 18.134 1.00 96.00 C -0.317 -2.440 16.945 1.00 96.00 C -1.018 -2.584 15.595 1.00 96.00 C 0.424 -1.116 16.948 1.00 96.00 C -0.368 -5.084 19.748 1.00 95.59 N 0.560 -6.175 20.083 1.00 95.59 C -0.109 -7.536 20.272 1.00 95.59 C 0.493 -8.550 19.944 1.00 95.59 O 1.356 -5.839 21.352 1.00 95.59 C 2.448 -4.810 21.152 1.00 95.59 C 3.444 -5.018 20.176 1.00 95.59 C 2.512 -3.679 21.981 1.00 95.59 C 4.447 -4.053 19.962 1.00 95.59 C 3.548 -2.744 21.803 1.00 95.59 C 4.488 -2.901 20.769 1.00 95.59 C 5.430 -1.939 20.590 1.00 95.59 O -1.336 -7.578 20.792 1.00 96.41 N -1.978 -8.853 21.112 1.00 96.41 C -2.728 -9.468 19.925 1.00 96.41 C -2.943 -10.675 19.915 1.00 96.41 O -2.920 -8.660 22.309 1.00 96.41 C -2.204 -8.367 23.615 1.00 96.41 C -2.933 -8.304 24.703 1.00 96.41 N -1.003 -8.230 23.729 1.00 96.41 O -3.179 -8.652 18.968 1.00 96.75 N -4.072 -9.100 17.890 1.00 96.75 C -3.440 -8.814 16.533 1.00 96.75 C -3.139 -9.737 15.781 1.00 96.75 O -5.483 -8.472 18.038 1.00 96.75 C -6.092 -8.811 19.422 1.00 96.75 C -6.410 -8.942 16.901 1.00 96.75 C -7.440 -8.141 19.698 1.00 96.75 C -3.223 -7.538 16.221 1.00 97.39 N -2.968 -7.126 14.845 1.00 97.39 C -1.529 -7.328 14.378 1.00 97.39 C -1.345 -7.785 13.260 1.00 97.39 O -3.391 -5.679 14.655 1.00 97.39 C -4.880 -5.457 14.726 1.00 97.39 C -5.699 -5.834 13.643 1.00 97.39 C -5.444 -4.910 15.887 1.00 97.39 C -7.096 -5.691 13.728 1.00 97.39 C -6.838 -4.779 15.965 1.00 97.39 C -7.667 -5.175 14.903 1.00 97.39 C -9.010 -5.092 15.054 1.00 97.39 O -0.511 -7.054 15.200 1.00 96.59 N 0.884 -7.304 14.815 1.00 96.59 C 1.174 -8.803 14.647 1.00 96.59 C 1.702 -9.170 13.598 1.00 96.59 O 1.875 -6.632 15.783 1.00 96.59 C 1.955 -5.110 15.634 1.00 96.59 C 2.837 -4.543 16.746 1.00 96.59 C 2.523 -4.660 14.294 1.00 96.59 C 0.785 -9.695 15.583 1.00 96.96 N 0.939 -11.133 15.373 1.00 96.96 C 0.191 -11.629 14.133 1.00 96.96 C 0.723 -12.445 13.380 1.00 96.96 O 0.404 -11.800 16.645 1.00 96.96 C 0.576 -10.726 17.711 1.00 96.96 C 0.303 -9.442 16.936 1.00 96.96 C -1.026 -11.125 13.893 1.00 98.07 N -1.789 -11.452 12.689 1.00 98.07 C -1.094 -10.963 11.412 1.00 98.07 C -0.987 -11.732 10.457 1.00 98.07 O -3.206 -10.877 12.794 1.00 98.07 C -3.951 -10.914 11.500 1.00 98.07 C -4.652 -11.961 11.008 1.00 98.07 C -3.964 -9.895 10.454 1.00 98.07 C -4.649 -10.421 9.322 1.00 98.07 C -3.428 -8.595 10.333 1.00 98.07 C -5.074 -11.665 9.728 1.00 98.07 N -4.757 -9.711 8.118 1.00 98.07 C -3.544 -7.880 9.128 1.00 98.07 C -4.218 -8.425 8.032 1.00 98.07 C -0.609 -9.721 11.397 1.00 97.62 N 0.017 -9.098 10.236 1.00 97.62 C 1.307 -9.819 9.852 1.00 97.62 C 1.499 -10.137 8.683 1.00 97.62 O 0.288 -7.624 10.552 1.00 97.62 C 2.146 -10.151 10.839 1.00 96.57 N 3.387 -10.903 10.617 1.00 96.57 C 3.081 -12.318 10.131 1.00 96.57 C 3.621 -12.741 9.113 1.00 96.57 O 4.255 -10.916 11.890 1.00 96.57 C 5.492 -11.809 11.739 1.00 96.57 C 4.747 -9.500 12.221 1.00 96.57 C 2.171 -13.043 10.798 1.00 97.82 N 1.791 -14.403 10.379 1.00 97.82 C 1.231 -14.415 8.959 1.00 97.82 C 1.640 -15.245 8.153 1.00 97.82 O 0.779 -14.988 11.374 1.00 97.82 C 0.377 -16.431 11.016 1.00 97.82 C -0.732 -16.950 11.934 1.00 97.82 C -0.284 -17.044 13.337 1.00 97.82 N -1.017 -16.859 14.419 1.00 97.82 C -2.285 -16.562 14.356 1.00 97.82 N1+ -0.481 -16.980 15.601 1.00 97.82 N 0.296 -13.515 8.667 1.00 97.84 N -0.357 -13.440 7.357 1.00 97.84 C 0.633 -12.992 6.291 1.00 97.84 C 0.711 -13.648 5.262 1.00 97.84 O -1.592 -12.528 7.389 1.00 97.84 C -2.347 -12.510 6.061 1.00 97.84 C -2.494 -13.014 8.358 1.00 97.84 O 1.440 -11.961 6.555 1.00 97.29 N 2.440 -11.445 5.618 1.00 97.29 C 3.511 -12.469 5.235 1.00 97.29 C 3.843 -12.581 4.059 1.00 97.29 O 3.989 -13.267 6.198 1.00 96.80 N 4.951 -14.351 5.945 1.00 96.80 C 4.332 -15.569 5.236 1.00 96.80 C 5.057 -16.367 4.649 1.00 96.80 O 5.572 -14.807 7.281 1.00 96.80 C 6.493 -13.786 7.972 1.00 96.80 C 6.909 -14.320 9.343 1.00 96.80 C 7.760 -13.498 7.169 1.00 96.80 C 3.009 -15.746 5.319 1.00 95.65 N 2.316 -16.927 4.774 1.00 95.65 C 1.643 -16.675 3.423 1.00 95.65 C 1.370 -17.632 2.689 1.00 95.65 O 1.251 -17.428 5.754 1.00 95.65 C 1.795 -17.691 7.031 1.00 95.65 O 1.311 -15.420 3.112 1.00 96.11 N 0.637 -15.052 1.875 1.00 96.11 C 1.599 -15.011 0.683 1.00 96.11 C 2.819 -14.935 0.833 1.00 96.11 O -0.203 -13.774 2.063 1.00 96.11 C 0.790 -12.300 2.389 1.00 96.11 S 1.040 -15.089 -0.530 1.00 95.53 N 1.827 -14.905 -1.761 1.00 95.53 C 2.492 -13.512 -1.752 1.00 95.53 C 1.910 -12.592 -1.173 1.00 95.53 O 0.942 -15.067 -3.009 1.00 95.53 C 0.376 -16.485 -3.220 1.00 95.53 C -0.355 -16.542 -4.575 1.00 95.53 C -1.017 -17.894 -4.882 1.00 95.53 C -1.740 -17.861 -6.190 1.00 95.53 N1+ 3.656 -13.314 -2.404 1.00 96.97 N 4.233 -11.982 -2.578 1.00 96.97 C 3.221 -11.040 -3.239 1.00 96.97 C 2.883 -11.196 -4.413 1.00 96.97 O 5.495 -12.177 -3.429 1.00 96.97 C 5.889 -13.625 -3.143 1.00 96.97 C 4.540 -14.322 -2.973 1.00 96.97 C 2.706 -10.071 -2.481 1.00 97.52 N 1.583 -9.234 -2.912 1.00 97.52 C 1.953 -8.288 -4.059 1.00 97.52 C 1.079 -7.851 -4.804 1.00 97.52 O 1.037 -8.448 -1.712 1.00 97.52 C 0.395 -9.304 -0.609 1.00 97.52 C -0.069 -8.392 0.524 1.00 97.52 C -0.820 -10.099 -1.095 1.00 97.52 C 3.248 -8.024 -4.236 1.00 96.73 N 3.781 -7.248 -5.358 1.00 96.73 C 3.614 -7.968 -6.709 1.00 96.73 C 3.556 -7.307 -7.743 1.00 96.73 O 5.250 -6.873 -5.057 1.00 96.73 C 5.800 -5.752 -5.960 1.00 96.73 C 6.184 -8.096 -5.120 1.00 96.73 C 5.084 -4.408 -5.764 1.00 96.73 C 3.480 -9.301 -6.704 1.00 97.44 N 3.270 -10.111 -7.912 1.00 97.44 C 1.789 -10.231 -8.288 1.00 97.44 C 1.463 -10.754 -9.352 1.00 97.44 O 3.909 -11.503 -7.723 1.00 97.44 C 5.418 -11.452 -7.603 1.00 97.44 C 6.066 -12.559 -7.327 1.00 97.44 N 6.036 -10.419 -7.750 1.00 97.44 O 0.879 -9.763 -7.429 1.00 97.24 N -0.556 -9.804 -7.702 1.00 97.24 C -0.900 -8.710 -8.708 1.00 97.24 C -0.704 -7.517 -8.462 1.00 97.24 O -1.387 -9.688 -6.412 1.00 97.24 C -2.892 -9.773 -6.702 1.00 97.24 C -1.039 -10.821 -5.435 1.00 97.24 C -1.447 -9.120 -9.850 1.00 97.09 N -1.957 -8.200 -10.861 1.00 97.09 C -3.352 -7.707 -10.445 1.00 97.09 C -4.373 -8.212 -10.902 1.00 97.09 O -1.899 -8.859 -12.249 1.00 97.09 C -1.696 -7.875 -13.388 1.00 97.09 C -2.368 -6.635 -13.411 1.00 97.09 C -0.807 -8.201 -14.431 1.00 97.09 C -2.142 -5.725 -14.458 1.00 97.09 C -0.598 -7.300 -15.492 1.00 97.09 C -1.270 -6.061 -15.511 1.00 97.09 C -1.078 -5.189 -16.532 1.00 97.09 O -3.393 -6.753 -9.512 1.00 96.56 N -4.618 -6.286 -8.850 1.00 96.56 C -5.726 -5.829 -9.803 1.00 96.56 C -6.893 -6.108 -9.538 1.00 96.56 O -4.253 -5.152 -7.890 1.00 96.56 C -3.445 -5.593 -6.712 1.00 96.56 C -2.117 -5.413 -6.535 1.00 96.56 C -3.902 -6.347 -5.553 1.00 96.56 C -2.788 -6.582 -4.696 1.00 96.56 C -5.145 -6.885 -5.160 1.00 96.56 C -1.718 -6.013 -5.355 1.00 96.56 N -2.910 -7.305 -3.500 1.00 96.56 C -5.285 -7.590 -3.950 1.00 96.56 C -4.170 -7.799 -3.120 1.00 96.56 C -5.368 -5.191 -10.914 1.00 94.73 N -6.291 -4.718 -11.949 1.00 94.73 C -7.104 -5.859 -12.574 1.00 94.73 C -8.277 -5.681 -12.886 1.00 94.73 O -5.510 -3.978 -13.049 1.00 94.73 C -4.775 -2.720 -12.561 1.00 94.73 C -3.341 -2.952 -12.063 1.00 94.73 C -2.543 -1.997 -12.130 1.00 94.73 O -2.987 -4.037 -11.540 1.00 94.73 O1- -6.521 -7.055 -12.684 1.00 94.96 N -7.193 -8.246 -13.220 1.00 94.96 C -7.993 -9.000 -12.150 1.00 94.96 C -8.801 -9.873 -12.460 1.00 94.96 O -6.158 -9.184 -13.860 1.00 94.96 C -5.374 -8.486 -14.976 1.00 94.96 C -4.492 -9.446 -15.778 1.00 94.96 C -4.236 -9.137 -16.961 1.00 94.96 O -4.028 -10.490 -15.265 1.00 94.96 O1- -7.776 -8.685 -10.871 1.00 96.02 N -8.449 -9.349 -9.752 1.00 96.02 C -9.757 -8.656 -9.346 1.00 96.02 C -10.457 -9.162 -8.469 1.00 96.02 O -7.493 -9.484 -8.558 1.00 96.02 C -6.229 -10.298 -8.859 1.00 96.02 C -6.488 -12.015 -9.400 1.00 96.02 S -5.938 -11.876 -11.128 1.00 96.02 C -10.103 -7.516 -9.955 1.00 96.06 N -11.247 -6.684 -9.556 1.00 96.06 C -12.593 -7.408 -9.700 1.00 96.06 C -13.452 -7.279 -8.834 1.00 96.06 O -11.245 -5.380 -10.378 1.00 96.06 C -9.999 -4.497 -10.179 1.00 96.06 C -10.003 -3.336 -11.170 1.00 96.06 C -9.900 -3.919 -8.763 1.00 96.06 C -12.783 -8.217 -10.739 1.00 96.48 N -14.046 -8.945 -10.954 1.00 96.48 C -14.137 -10.251 -10.149 1.00 96.48 C -15.187 -10.892 -10.090 1.00 96.48 O -14.246 -9.201 -12.452 1.00 96.48 C -14.374 -7.880 -13.229 1.00 96.48 C -14.692 -8.076 -14.718 1.00 96.48 C -14.734 -7.041 -15.421 1.00 96.48 O -14.914 -9.235 -15.135 1.00 96.48 O1- -13.047 -10.657 -9.489 1.00 97.47 N -12.982 -11.916 -8.750 1.00 97.47 C -13.728 -11.826 -7.423 1.00 97.47 C -13.681 -10.803 -6.742 1.00 97.47 O -11.511 -12.304 -8.567 1.00 97.47 C -11.361 -13.773 -8.160 1.00 97.47 C -9.894 -14.182 -8.275 1.00 97.47 C -9.764 -15.694 -8.121 1.00 97.47 C -8.464 -16.139 -8.660 1.00 97.47 N1+ -14.350 -12.930 -7.009 1.00 98.25 N -14.922 -13.050 -5.667 1.00 98.25 C -13.848 -12.809 -4.592 1.00 98.25 C -12.783 -13.435 -4.585 1.00 98.25 O -15.599 -14.414 -5.482 1.00 98.25 C -16.195 -14.531 -4.077 1.00 98.25 C -15.438 -14.905 -3.149 1.00 98.25 O -17.384 -14.187 -3.916 1.00 98.25 O1- -14.135 -11.898 -3.665 1.00 97.86 N -13.193 -11.438 -2.643 1.00 97.86 C -12.810 -12.549 -1.664 1.00 97.86 C -11.682 -12.584 -1.167 1.00 97.86 O -13.785 -10.218 -1.910 1.00 97.86 C -14.961 -10.564 -0.981 1.00 97.86 C -12.701 -9.507 -1.094 1.00 97.86 C -13.719 -13.481 -1.381 1.00 97.70 N -13.467 -14.599 -0.466 1.00 97.70 C -12.579 -15.637 -1.142 1.00 97.70 C -11.610 -16.108 -0.538 1.00 97.70 O -14.784 -15.229 0.010 1.00 97.70 C -14.558 -16.258 1.116 1.00 97.70 C -15.615 -14.223 0.544 1.00 97.70 O -12.845 -15.934 -2.416 1.00 97.83 N -11.989 -16.786 -3.235 1.00 97.83 C -10.584 -16.185 -3.402 1.00 97.83 C -9.592 -16.896 -3.230 1.00 97.83 O -12.669 -17.015 -4.588 1.00 97.83 C -10.489 -14.876 -3.657 1.00 97.90 N -9.215 -14.163 -3.777 1.00 97.90 C -8.409 -14.218 -2.471 1.00 97.90 C -7.230 -14.567 -2.492 1.00 97.90 O -9.497 -12.719 -4.230 1.00 97.90 C -8.238 -11.851 -4.422 1.00 97.90 C -7.286 -12.399 -5.486 1.00 97.90 C -8.659 -10.443 -4.836 1.00 97.90 C -9.038 -13.964 -1.315 1.00 97.98 N -8.381 -14.109 0.000 1.00 97.98 C -7.841 -15.519 0.218 1.00 97.98 C -6.702 -15.669 0.655 1.00 97.98 O -9.366 -13.767 1.122 1.00 97.98 C -9.577 -12.259 1.274 1.00 97.98 C -10.759 -12.027 2.214 1.00 97.98 C -11.081 -10.597 2.316 1.00 97.98 N -12.275 -10.053 2.427 1.00 97.98 C -13.369 -10.766 2.493 1.00 97.98 N1+ -12.378 -8.757 2.473 1.00 97.98 N -8.627 -16.548 -0.117 1.00 97.63 N -8.206 -17.951 0.001 1.00 97.63 C -7.008 -18.254 -0.900 1.00 97.63 C -6.054 -18.878 -0.443 1.00 97.63 O -9.403 -18.865 -0.300 1.00 97.63 C -9.078 -20.346 -0.047 1.00 97.63 C -10.307 -21.225 -0.313 1.00 97.63 C -9.970 -22.702 -0.069 1.00 97.63 C -11.137 -23.583 -0.339 1.00 97.63 N1+ -7.030 -17.783 -2.143 1.00 97.12 N -5.932 -17.983 -3.090 1.00 97.12 C -4.635 -17.296 -2.638 1.00 97.12 C -3.555 -17.887 -2.703 1.00 97.12 O -6.346 -17.447 -4.461 1.00 97.12 C -5.343 -17.923 -5.516 1.00 97.12 C -5.346 -17.038 -6.748 1.00 97.12 C -4.222 -16.808 -7.245 1.00 97.12 O -6.449 -16.625 -7.160 1.00 97.12 O1- -4.740 -16.061 -2.143 1.00 97.34 N -3.601 -15.302 -1.628 1.00 97.34 C -3.156 -15.769 -0.233 1.00 97.34 C -2.132 -15.297 0.251 1.00 97.34 O -3.936 -13.798 -1.649 1.00 97.34 C -4.217 -13.199 -3.042 1.00 97.34 C -4.486 -11.701 -2.903 1.00 97.34 C -3.057 -13.404 -4.013 1.00 97.34 C -3.889 -16.697 0.404 1.00 97.45 N -3.708 -17.139 1.800 1.00 97.45 C -3.812 -15.990 2.816 1.00 97.45 C -3.115 -15.967 3.828 1.00 97.45 O -2.419 -17.961 1.970 1.00 97.45 C -2.274 -19.147 1.006 1.00 97.45 C -0.910 -19.803 1.249 1.00 97.45 C -0.702 -21.020 0.345 1.00 97.45 C 0.644 -21.606 0.568 1.00 97.45 N1+ -4.698 -15.031 2.553 1.00 97.43 N -4.985 -13.905 3.445 1.00 97.43 C -6.122 -14.297 4.386 1.00 97.43 C -7.249 -14.546 3.959 1.00 97.43 O -5.291 -12.622 2.644 1.00 97.43 C -4.050 -12.213 1.817 1.00 97.43 C -5.717 -11.474 3.583 1.00 97.43 C -4.307 -11.043 0.863 1.00 97.43 C -5.836 -14.308 5.686 1.00 95.22 N -6.864 -14.431 6.730 1.00 95.22 C -7.291 -13.043 7.183 1.00 95.22 C -6.454 -12.151 7.242 1.00 95.22 O -6.388 -15.274 7.922 1.00 95.22 C -5.977 -16.681 7.493 1.00 95.22 C -5.304 -14.680 8.605 1.00 95.22 O -8.567 -12.826 7.502 1.00 96.65 N -9.015 -11.533 8.026 1.00 96.65 C -8.749 -11.430 9.534 1.00 96.65 C -9.015 -12.392 10.258 1.00 96.65 O -10.503 -11.307 7.723 1.00 96.65 C -10.826 -11.066 6.240 1.00 96.65 C -12.337 -10.902 6.096 1.00 96.65 C -10.143 -9.807 5.707 1.00 96.65 C -8.277 -10.277 10.034 1.00 96.36 N -8.246 -10.012 11.462 1.00 96.36 C -9.637 -9.555 11.945 1.00 96.36 C -10.495 -9.197 11.132 1.00 96.36 O -7.193 -8.920 11.624 1.00 96.36 C -7.393 -8.093 10.360 1.00 96.36 C -7.885 -9.080 9.302 1.00 96.36 C -9.870 -9.494 13.268 1.00 96.05 N -11.077 -8.883 13.821 1.00 96.05 C -11.283 -7.442 13.320 1.00 96.05 C -10.324 -6.664 13.252 1.00 96.05 O -10.885 -8.929 15.341 1.00 96.05 C -9.935 -10.108 15.549 1.00 96.05 C -9.024 -10.022 14.328 1.00 96.05 C -12.528 -7.058 13.007 1.00 96.10 N -12.831 -5.716 12.490 1.00 96.10 C -12.528 -4.639 13.542 1.00 96.10 C -13.228 -4.467 14.547 1.00 96.10 O -14.272 -5.600 11.957 1.00 96.10 C -14.548 -4.259 11.237 1.00 96.10 C -13.856 -3.246 11.512 1.00 96.10 O -15.465 -4.219 10.391 1.00 96.10 O1- -11.478 -3.868 13.268 1.00 94.95 N -10.981 -2.815 14.142 1.00 94.95 C -12.011 -1.705 14.385 1.00 94.95 C -12.052 -1.128 15.477 1.00 94.95 O -9.696 -2.279 13.494 1.00 94.95 C -8.983 -1.174 14.282 1.00 94.95 C -8.667 -1.524 15.738 1.00 94.95 C -7.665 -0.873 13.579 1.00 94.95 C -12.857 -1.397 13.396 1.00 94.18 N -13.882 -0.350 13.519 1.00 94.18 C -14.975 -0.805 14.481 1.00 94.18 C -15.326 -0.056 15.397 1.00 94.18 O -14.462 0.000 12.140 1.00 94.18 C -13.412 0.522 11.139 1.00 94.18 C -14.111 0.819 9.806 1.00 94.18 C -13.200 1.114 8.682 1.00 94.18 N -12.543 0.222 7.959 1.00 94.18 C -12.523 -1.053 8.245 1.00 94.18 N1+ -11.893 0.605 6.913 1.00 94.18 N -15.436 -2.044 14.331 1.00 94.76 N -16.436 -2.664 15.212 1.00 94.76 C -15.919 -2.749 16.647 1.00 94.76 C -16.541 -2.185 17.548 1.00 94.76 O -16.847 -4.035 14.662 1.00 94.76 C -17.954 -4.688 15.477 1.00 94.76 C -17.341 -3.828 13.359 1.00 94.76 O -14.703 -3.267 16.853 1.00 93.03 N -14.079 -3.339 18.184 1.00 93.03 C -13.921 -1.969 18.864 1.00 93.03 C -13.941 -1.850 20.094 1.00 93.03 O -12.671 -3.931 18.056 1.00 93.03 C -12.635 -5.419 17.717 1.00 93.03 C -10.938 -6.055 17.755 1.00 93.03 S -10.733 -6.294 19.536 1.00 93.03 C -13.685 -0.902 18.091 1.00 93.06 N -13.614 0.465 18.631 1.00 93.06 C -14.994 1.003 18.988 1.00 93.06 C -15.114 1.638 20.037 1.00 93.06 O -12.889 1.395 17.648 1.00 93.06 C -11.371 1.171 17.700 1.00 93.06 C -10.593 2.086 16.749 1.00 93.06 C -10.712 3.506 17.145 1.00 93.06 N -9.762 4.426 17.100 1.00 93.06 C -8.510 4.169 16.860 1.00 93.06 N1+ -10.067 5.678 17.308 1.00 93.06 N -16.005 0.744 18.156 1.00 94.65 N -17.393 1.161 18.393 1.00 94.65 C -17.968 0.493 19.642 1.00 94.65 C -18.472 1.198 20.511 1.00 94.65 O -18.226 0.861 17.136 1.00 94.65 C -19.647 1.438 17.235 1.00 94.65 C -20.461 1.120 15.972 1.00 94.65 C -21.890 1.667 16.107 1.00 94.65 C -22.745 1.296 14.948 1.00 94.65 N1+ -17.806 -0.820 19.775 1.00 94.57 N -18.233 -1.594 20.951 1.00 94.57 C -17.579 -1.076 22.231 1.00 94.57 C -18.248 -0.797 23.222 1.00 94.57 O -17.824 -3.054 20.760 1.00 94.57 C -18.664 -3.757 19.687 1.00 94.57 C -18.100 -5.135 19.323 1.00 94.57 C -18.769 -5.812 18.518 1.00 94.57 O -16.976 -5.456 19.780 1.00 94.57 O1- -16.263 -0.837 22.195 1.00 92.11 N -15.547 -0.276 23.344 1.00 92.11 C -16.041 1.122 23.719 1.00 92.11 C -16.098 1.453 24.902 1.00 92.11 O -14.052 -0.274 23.031 1.00 92.11 C -13.256 0.148 24.266 1.00 92.11 C -11.770 0.192 23.941 1.00 92.11 C -11.017 0.490 25.169 1.00 92.11 N -10.121 -0.281 25.747 1.00 92.11 C -9.699 -1.384 25.194 1.00 92.11 N1+ -9.631 0.053 26.905 1.00 92.11 N -16.334 1.964 22.730 1.00 93.57 N -16.865 3.299 22.978 1.00 93.57 C -18.272 3.238 23.593 1.00 93.57 C -18.559 4.025 24.493 1.00 93.57 O -16.839 4.097 21.670 1.00 93.57 C -19.113 2.298 23.152 1.00 95.81 N -20.428 2.049 23.739 1.00 95.81 C -20.314 1.569 25.195 1.00 95.81 C -20.900 2.189 26.079 1.00 95.81 O -21.184 1.052 22.851 1.00 95.81 C -19.461 0.575 25.462 1.00 94.91 N -19.220 0.060 26.814 1.00 94.91 C -18.712 1.151 27.768 1.00 94.91 C -19.139 1.237 28.914 1.00 94.91 O -18.213 -1.100 26.713 1.00 94.91 C -17.889 -1.763 28.065 1.00 94.91 C -19.111 -2.425 28.696 1.00 94.91 C -16.803 -2.822 27.866 1.00 94.91 C -17.815 2.027 27.296 1.00 94.33 N -17.341 3.158 28.104 1.00 94.33 C -18.487 4.098 28.486 1.00 94.33 C -18.563 4.496 29.640 1.00 94.33 O -16.212 3.894 27.375 1.00 94.33 C -15.676 5.032 28.252 1.00 94.33 C -14.536 5.778 27.568 1.00 94.33 C -14.139 6.917 28.407 1.00 94.33 N -13.662 8.080 28.016 1.00 94.33 C -13.479 8.372 26.755 1.00 94.33 N1+ -13.376 8.988 28.901 1.00 94.33 N -19.373 4.431 27.540 1.00 95.44 N -20.537 5.292 27.810 1.00 95.44 C -21.474 4.670 28.846 1.00 95.44 C -21.981 5.388 29.698 1.00 95.44 O -21.312 5.577 26.517 1.00 95.44 C -20.588 6.545 25.573 1.00 95.44 C -21.419 6.719 24.296 1.00 95.44 C -20.760 7.718 23.340 1.00 95.44 C -21.650 8.017 22.189 1.00 95.44 N1+ -21.676 3.357 28.788 1.00 95.34 N -22.506 2.624 29.747 1.00 95.34 C -21.905 2.638 31.162 1.00 95.34 C -22.596 2.964 32.128 1.00 95.34 O -22.676 1.195 29.225 1.00 95.34 C -23.695 0.393 30.041 1.00 95.34 C -23.784 -1.070 29.587 1.00 95.34 C -24.444 -1.838 30.318 1.00 95.34 O -23.162 -1.410 28.552 1.00 95.34 O1- -20.601 2.362 31.286 1.00 95.66 N -19.888 2.415 32.572 1.00 95.66 C -19.924 3.834 33.151 1.00 95.66 C -20.235 4.003 34.330 1.00 95.66 O -18.438 1.902 32.415 1.00 95.66 C -18.432 0.394 32.067 1.00 95.66 C -17.626 2.148 33.704 1.00 95.66 C -17.065 -0.130 31.606 1.00 95.66 C -19.655 4.849 32.326 1.00 94.84 N -19.673 6.253 32.746 1.00 94.84 C -21.086 6.670 33.210 1.00 94.84 C -21.232 7.365 34.218 1.00 94.84 O -19.162 7.157 31.598 1.00 94.84 C -17.655 7.046 31.268 1.00 94.84 C -16.876 6.514 32.089 1.00 94.84 O -17.236 7.540 30.187 1.00 94.84 O1- -22.143 6.208 32.531 1.00 95.06 N -23.529 6.454 32.934 1.00 95.06 C -23.872 5.790 34.279 1.00 95.06 C -24.455 6.444 35.147 1.00 95.06 O -24.467 5.984 31.815 1.00 95.06 C -23.463 4.529 34.480 1.00 94.57 N -23.669 3.790 35.737 1.00 94.57 C -22.900 4.408 36.907 1.00 94.57 C -23.427 4.511 38.009 1.00 94.57 O -23.280 2.320 35.513 1.00 94.57 C -23.603 1.440 36.731 1.00 94.57 C -23.282 -0.029 36.435 1.00 94.57 C -23.624 -0.897 37.652 1.00 94.57 C -23.390 -2.337 37.374 1.00 94.57 N1+ -21.668 4.850 36.673 1.00 94.16 N -20.874 5.535 37.690 1.00 94.16 C -21.498 6.883 38.079 1.00 94.16 C -21.610 7.203 39.261 1.00 94.16 O -19.450 5.717 37.160 1.00 94.16 C -18.562 6.484 38.115 1.00 94.16 C -18.308 7.853 37.895 1.00 94.16 C -18.027 5.838 39.245 1.00 94.16 C -17.493 8.569 38.791 1.00 94.16 C -17.220 6.554 40.148 1.00 94.16 C -16.945 7.916 39.917 1.00 94.16 C -16.138 8.594 40.773 1.00 94.16 O -21.960 7.664 37.099 1.00 93.57 N -22.584 8.960 37.362 1.00 93.57 C -23.941 8.837 38.068 1.00 93.57 C -24.251 9.678 38.911 1.00 93.57 O -22.714 9.730 36.041 1.00 93.57 C -21.387 10.276 35.544 1.00 93.57 C -21.264 10.493 34.257 1.00 93.57 N -20.468 10.565 36.292 1.00 93.57 O -24.741 7.809 37.761 1.00 92.60 N -25.995 7.561 38.484 1.00 92.60 C -25.735 7.169 39.940 1.00 92.60 C -26.374 7.720 40.834 1.00 92.60 O -26.855 6.514 37.769 1.00 92.60 C -26.240 5.244 37.752 1.00 92.60 O -24.738 6.316 40.193 1.00 90.93 N -24.307 5.964 41.550 1.00 90.93 C -23.774 7.180 42.314 1.00 90.93 C -24.199 7.424 43.438 1.00 90.93 O -23.243 4.861 41.483 1.00 90.93 C -23.858 3.508 41.101 1.00 90.93 C -22.820 2.402 40.954 1.00 90.93 C -23.244 1.158 40.884 1.00 90.93 N -21.618 2.595 40.916 1.00 90.93 O -22.916 7.998 41.691 1.00 90.86 N -22.375 9.213 42.317 1.00 90.86 C -23.472 10.216 42.689 1.00 90.86 C -23.397 10.824 43.753 1.00 90.86 O -21.318 9.828 41.388 1.00 90.86 C -20.612 11.013 42.060 1.00 90.86 C -19.518 11.612 41.171 1.00 90.86 C -18.916 12.804 41.925 1.00 90.86 C -17.891 13.520 41.127 1.00 90.86 N1+ -24.492 10.392 41.838 1.00 88.60 N -25.663 11.234 42.150 1.00 88.60 C -26.478 10.677 43.315 1.00 88.60 C -26.954 11.461 44.119 1.00 88.60 O -26.566 11.384 40.920 1.00 88.60 C -25.985 12.350 39.882 1.00 88.60 C -26.908 12.374 38.661 1.00 88.60 C -26.372 13.227 37.585 1.00 88.60 N -26.963 13.480 36.432 1.00 88.60 C -28.131 12.983 36.133 1.00 88.60 N1+ -26.390 14.249 35.550 1.00 88.60 N -26.606 9.356 43.425 1.00 88.74 N -27.302 8.729 44.546 1.00 88.74 C -26.549 8.872 45.886 1.00 88.74 C -27.180 8.832 46.935 1.00 88.74 O -27.563 7.260 44.192 1.00 88.74 C -25.220 9.039 45.869 1.00 89.68 N -24.391 9.118 47.088 1.00 89.68 C -23.938 10.530 47.471 1.00 89.68 C -23.326 10.687 48.523 1.00 89.68 O -23.149 8.220 46.967 1.00 89.68 C -23.501 6.744 46.786 1.00 89.68 C -22.352 8.626 45.872 1.00 89.68 O -24.155 11.549 46.632 1.00 77.62 N -23.751 12.935 46.940 1.00 77.62 C -24.911 13.645 47.654 1.00 77.62 C -25.947 13.822 47.014 1.00 77.62 O -23.335 13.712 45.676 1.00 77.62 C -22.710 15.067 46.007 1.00 77.62 C -22.358 12.992 44.942 1.00 77.62 O -24.791 14.026 48.943 1.00 72.26 N -25.821 14.811 49.625 1.00 72.26 C -25.984 16.185 48.956 1.00 72.26 C -25.005 16.739 48.453 1.00 72.26 O -25.390 14.898 51.093 1.00 72.26 C -23.875 14.704 51.038 1.00 72.26 C -23.658 13.800 49.827 1.00 72.26 C -27.232 16.661 48.904 1.00 73.01 N -27.641 17.898 48.236 1.00 73.01 C -27.039 19.160 48.865 1.00 73.01 C -26.866 19.171 50.107 1.00 73.01 O -29.175 17.965 48.211 1.00 73.01 C -26.821 20.090 48.055 1.00 73.01 O1- id="glmol01_rep" style="display: none;"> 208,213,221,233,240,248,252,258,266,274,285,289,298,307,312,323,331,336,344,349,357,366,448,460,465,474,483,488,497,506,517,524,533,541,552,560,571,576,584,589,597,723,734,746,755,764,772,780,788,799,804,812,818,822,836,844,850,861,906,910,922,930,938,945,954,962,966,975,980,1000,1007,1014,1025,1033,1042,1050,1058,1067,1076,1083,1091,1099,1113,1119,1125,1129,1140,1151,1159,1167,1176,1224,1231,1240,1248,1266,1274,1282,1291,1299,1304,1353,1364,1368,1380,1387,1399,1411,1420,1434,1442,1451,1462,1588,1595,1603,1613,1618,1630,1638,1649,1658,1669,1681,1692,1701,1707,1717,1725,1736,1748,1758,1763,1771,1817,1825,1834,1838,1847,1855,1862,1870,1879,1884,1892,1901,1905,1910,1918,1937,1944,1952,1957,1965,1973,1977,1981,1989,1997,2002,2009,2017,2045,2054,2061,2070,2081,2090,2101,2109,2121,2129,2137,2149,2157,2164,2178,2183,2190,2201,2208,2212,2220,2248,2256,2264,2291,2305,2314,2323,2331,2365,2372,2379,2384,2392,2403,2412,2421,2483,2491,2502,2509,2517,2528,2537,2546,2557,2562,2567,2575,2586,2595,2604,2612,2620,2625,2634,2646,2654,2660,2669,2678,2689,2694 395.503,-115.424,115.424,0.450,20.000,-1.000,-0.000,0.000,0.000,-1.000,0.000,0.000,0.000,1.000 id="glmol01_viewbox" style="left: 30%; z-index:1;"> style="overflow: auto;"> type="radio" value="true" checked>Use imported representation
style="border: 2px solid white; position: absolute; color: white; left: 10%; top: 10%; padding: 5px; z-index:101;"> from server... It may take a while.

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

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

References

No sources available.