Entering Gaussian System, Link 0=XXXXXXX/x86_64/g09a02/g09/g09 Initial command: XXXXXXX/x86_64/g09a02/g09/l1.exe /tmp/pbs.183397.pbs/Gau-10900.inp -scrdir=/tmp/pbs.183397.pbs/ Entering Link 1 = XXXXXXX/x86_64/g09a02/g09/l1.exe PID= 10909. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision A.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009. ****************************************** Gaussian 09: AM64L-G09RevA.02 11-Jun-2009 6-Nov-2009 ****************************************** %chk=mmp2_partial_r_06_02.chk %mem=3000MB %nprocshared=4 Will use up to 4 processors via shared memory. ---------------------------------------------------------------------- #p oniom(pm3:amber=hardfirst) nosymm geom=connectivity iop(2/15=3) tes t opt=quadmac ---------------------------------------------------------------------- 1/14=-1,18=1000020,38=1,52=2,56=2,57=2,64=103,98=5,115=4/1,3; 2/9=110,12=2,15=3,17=6,18=5,40=1/2; 1/14=-1,18=1000020,38=1,52=2,53=3172,64=103,98=5,115=4/20; 3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1; 4/20=11,22=1,24=3,112=4/2; 7/7=1,30=1,33=-1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,53=2032,98=5,115=4/20; 3/5=2,16=1,25=1,41=800000,71=1/1,2,3; 4/35=1,112=4/1; 5/5=2,35=1,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/7=1,30=1,33=-1,88=4/1,2,3,16; 1/14=-1,18=1000020,52=2,53=1022,64=103,98=5,115=4/20; 3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1; 4/20=11,22=1,24=3,112=4/2; 7/7=1,30=1,33=-1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,53=3015,64=103,98=5,115=4/20; 7/9=1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,64=103,98=5,115=4/3(2); 2/9=110,15=3/2; 99//99; 2/9=110,15=3/2; 1/14=-1,18=1000020,52=2,53=3173,64=103,98=5,115=4/20; 3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1; 4/16=2,20=11,22=1,24=3,112=4/2; 7/7=1,30=1,33=-1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,53=2033,98=5,115=4/20; 3/5=2,16=1,25=1,41=800000,71=1,135=20/1,2,3; 4/5=5,16=3,35=1,112=4/1; 5/5=2,35=1,38=5/2; 7/7=1,30=1,33=-1,88=4/1,2,3,16; 1/14=-1,18=1000020,52=2,53=1023,64=103,98=5,115=4/20; 3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1; 4/16=2,20=11,22=1,24=3,112=4/2; 7/7=1,30=1,33=-1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,53=3015,64=103,98=5,115=4/20; 7/9=1,44=-1,88=4/16; 1/14=-1,18=1000020,52=2,64=103,98=5,115=4/3(-16); 2/9=110,15=3/2; 99//99; Leave Link 1 at Fri Nov 6 17:05:20 2009, MaxMem= 393216000 cpu: 0.1 (Enter XXXXXXX/x86_64/g09a02/g09/l101.exe) ------------------ MMP2 reduced model ------------------ Symbolic Z-matrix: Charge = -3 Multiplicity = 1 for low level calculation on real system. Charge = 1 Multiplicity = 1 for high level calculation on model system. Charge = 1 Multiplicity = 1 for low level calculation on model system. N-N3-0.096600 -1 41.507 23.202 52.275 L H-H-0.216500 -1 40.56 22.841 52.249 L H-H-0.216500 -1 41.687 23.653 51.384 L H-H-0.216500 -1 41.559 23.902 53.006 L C-CT--0.001500 -1 42.49 22.115 52.511 L H-HP-0.118000 -1 42.377 21.793 53.546 L C-CT-0.021200 -1 42.207 20.897 51.605 L H-HC-0.028300 -1 42.875 20.087 51.897 L H-HC-0.028300 -1 41.186 20.562 51.79 L C-CT--0.004800 -1 42.384 21.151 50.096 L H-HC-0.012100 -1 41.676 21.906 49.762 L H-HC-0.012100 -1 43.392 21.52 49.916 L C-CT--0.060800 -1 42.18 19.886 49.249 L H-HC-0.063300 -1 42.584 20.065 48.25 L H-HC-0.063300 -1 42.734 19.064 49.698 L C-CT--0.018100 -1 40.698 19.515 49.121 L H-HP-0.117100 -1 40.248 19.462 50.116 L H-HP-0.117100 -1 40.19 20.309 48.565 L N-N3--0.376400 -1 40.518 18.22 48.426 L H-H-0.338200 -1 40.883 17.447 48.979 L H-H-0.338200 -1 39.534 18.043 48.246 L H-H-0.338200 -1 41.008 18.201 47.53 L C-C-0.721400 -1 43.921 22.648 52.362 L O-O--0.601300 -1 44.09 23.607 51.612 L N-N--0.088116 -1 44.936 22.076 53.043 L C-CT--0.011906 -1 44.826 20.973 53.991 L H-H1-0.043951 -1 44.423 20.075 53.524 L H-H1-0.043950 -1 44.198 21.278 54.831 L C-CT-0.013059 -1 46.247 20.707 54.489 L H-HC-0.019574 -1 46.75 20.01 53.819 L H-HC-0.019574 -1 46.254 20.333 55.513 L C-CT--0.003351 -1 46.91 22.076 54.379 L H-HC-0.019352 -1 47.996 21.998 54.305 L H-HC-0.019352 -1 46.634 22.682 55.244 L C-CT--0.034577 -1 46.275 22.67 53.118 L H-H1-0.059977 -1 46.188 23.749 53.251 L C-C-0.333720 -1 47.155 22.432 51.883 L O-O--0.434559 -1 48.162 23.116 51.736 L N-N--0.435875 -1 46.797 21.503 50.987 L H-H-0.251302 -1 45.969 20.949 51.15 L C-CT--0.038773 -1 47.519 21.252 49.729 L H-H1-0.129478 -1 48.072 22.15 49.451 L C-CT--0.108273 -1 48.518 20.082 49.892 L H-HC-0.045214 -1 47.957 19.154 50.019 L H-HC-0.045214 -1 49.105 20. 48.976 L C-CT-0.033341 -1 49.48 20.234 51.083 L H-HC-0.010208 -1 49.973 21.204 51.022 L H-HC-0.010208 -1 48.898 20.19 52.004 L C-CT--0.047841 -1 50.557 19.138 51.131 L H-HC-0.070715 -1 50.143 18.194 50.775 L H-HC-0.070715 -1 51.386 19.419 50.48 L C-CT--0.069974 -1 51.039 18.962 52.579 L H-HP-0.119522 -1 51.419 19.915 52.958 L H-HP-0.119522 -1 50.183 18.679 53.198 L N-N3--0.250358 -1 52.083 17.921 52.712 L H-H-0.294561 -1 52.337 17.79 53.69 L H-H-0.294561 -1 51.764 17.016 52.371 L H-H-0.294561 -1 52.916 18.155 52.196 L C-C-0.725129 -1 46.525 20.941 48.598 L O-O--0.563157 -1 45.479 20.336 48.844 L N-N--0.427579 0 46.848 21.318 47.358 L H-H-0.241716 0 47.713 21.817 47.211 L C-CT--0.020082 0 46.044 20.959 46.181 L H-H1-0.106629 0 45.011 21.273 46.351 L C-CT--0.098364 0 46.577 21.719 44.953 L H-HC-0.065424 0 47.63 21.476 44.804 L H-HC-0.065424 0 46.035 21.38 44.07 L C-C*--0.099797 0 46.432 23.21 45.028 L C-CW--0.174053 0 47.38 24.075 45.456 L H-H4-0.170633 0 48.374 23.799 45.786 L N-NA--0.298433 0 46.871 25.359 45.452 L H-H-0.322375 0 47.353 26.169 45.839 L C-CN-0.141523 0 45.569 25.391 45.013 L C-CA--0.210701 0 44.636 26.428 44.87 L H-HA-0.125512 0 44.915 27.44 45.123 L C-CA--0.133022 0 43.347 26.128 44.399 L H-HA-0.119467 0 42.614 26.914 44.278 L C-CA--0.164054 0 43.019 24.801 44.071 L H-HA-0.119250 0 42.033 24.571 43.69 L C-CA--0.153992 0 43.963 23.768 44.226 L H-HA-0.123084 0 43.692 22.757 43.969 L C-CB-0.089641 0 45.262 24.031 44.712 L C-C-0.584129 0 46.033 19.434 45.948 L O-O--0.494730 0 47.009 18.743 46.249 L N-N--0.558201 -1 44.957 18.904 45.366 L H-H-0.319676 -1 44.181 19.53 45.154 L C-CT-0.007225 -1 44.814 17.48 44.999 L H-H1-0.082375 -1 45.109 16.861 45.847 L C-CT--0.047555 -1 43.337 17.179 44.686 L H-HC--0.014836 -1 43.033 17.765 43.816 L H-HC--0.014836 -1 43.239 16.124 44.428 L C-C-0.745168 -1 42.394 17.476 45.856 L O-O2--0.730385 -1 42.595 16.918 46.96 L O-O2--0.730385 -1 41.443 18.276 45.676 L C-C-0.443199 -1 45.69 17.071 43.793 L O-O--0.501445 -1 45.922 15.884 43.55 L N-N--0.451047 -1 47.71 23.806 37.859 L H-H-0.328831 -1 48.514 24.191 37.362 L C-CT--0.101874 -1 46.75 24.785 38.403 L H-H1-0.174193 -1 45.873 24.278 38.809 L C-CT-0.062238 -1 47.445 25.575 39.545 L H-HC-0.061662 -1 48.313 26.063 39.104 L C-CT--0.129989 -1 46.55 26.682 40.131 L H-HC-0.030227 -1 47.05 27.158 40.975 L H-HC-0.030227 -1 46.351 27.451 39.385 L H-HC-0.030227 -1 45.607 26.26 40.475 L C-CT-0.022230 -1 47.985 24.686 40.695 L H-HC-0.011551 -1 48.703 23.97 40.296 L H-HC-0.011551 -1 48.536 25.318 41.392 L C-CT--0.101251 -1 46.925 23.915 41.495 L H-HC-0.023792 -1 46.332 23.28 40.841 L H-HC-0.023792 -1 47.424 23.286 42.233 L H-HC-0.023792 -1 46.267 24.609 42.018 L C-C-0.569383 -1 46.261 25.712 37.276 L O-O--0.619535 -1 47.019 26.012 36.347 L N-N--0.487560 -1 44.084 29.484 36.229 L H-H-0.263521 -1 44.423 29.382 35.277 L C-CT-0.009614 -1 43.679 30.82 36.679 L H-H1-0.095501 -1 43.034 30.689 37.542 L C-CT--0.051853 -1 44.903 31.616 37.158 L H-HC-0.019145 -1 44.549 32.465 37.744 L H-HC-0.019145 -1 45.483 30.992 37.839 L C-CA-0.112601 -1 45.831 32.146 36.08 L C-CA--0.183461 -1 46.877 31.341 35.587 L H-HA-0.132715 -1 46.981 30.323 35.933 L C-CA--0.181823 -1 47.809 31.873 34.675 L H-HA-0.137303 -1 48.634 31.273 34.32 L C-C-0.206277 -1 47.698 33.216 34.256 L O-OH--0.421233 -1 48.642 33.75 33.437 L H-HO-0.329691 -1 48.548 34.711 33.348 L C-CA--0.181823 -1 46.631 34.015 34.726 L H-HA-0.137303 -1 46.547 35.043 34.407 L C-CA--0.183461 -1 45.7 33.477 35.635 L H-HA-0.132715 -1 44.905 34.1 36.017 L C-C-0.622290 -1 42.848 31.585 35.64 L O-O--0.526607 -1 42.881 31.276 34.447 L N-N--0.451047 -1 40.971 35.829 34.977 L H-H-0.328831 -1 41.072 35.639 33.981 L C-CT--0.101874 -1 40.839 37.233 35.425 L H-H1-0.174193 -1 40.862 37.263 36.514 L C-CT-0.062238 -1 42.017 38.108 34.915 L H-HC-0.061662 -1 41.886 38.269 33.843 L C-CT--0.129989 -1 41.957 39.476 35.628 L H-HC-0.030227 -1 42.759 40.125 35.283 L H-HC-0.030227 -1 41.019 39.983 35.407 L H-HC-0.030227 -1 42.05 39.346 36.707 L C-CT-0.022230 -1 43.401 37.441 35.131 L H-HC-0.011551 -1 43.564 37.276 36.195 L H-HC-0.011551 -1 43.416 36.471 34.634 L C-CT--0.101251 -1 44.592 38.233 34.57 L H-HC-0.023792 -1 45.493 37.621 34.633 L H-HC-0.023792 -1 44.412 38.489 33.526 L H-HC-0.023792 -1 44.756 39.143 35.147 L C-C-0.569383 -1 39.48 37.803 34.993 L O-O--0.619535 -1 39.092 37.657 33.835 L N-N--0.450087 -1 49.081 44.487 34.36 L H-H-0.440048 -1 48.475 45.11 33.83 L C-CT--0.051858 -1 48.49 43.721 35.476 L H-H1--0.026204 -1 49.081 43.916 36.373 L C-CT-0.395217 -1 47.036 44.185 35.743 L H-HC--0.115672 -1 46.516 44.238 34.79 L C-CT--0.090132 -1 46.231 43.236 36.646 L H-HC--0.008985 -1 46.777 43.039 37.567 L H-HC--0.008985 -1 45.265 43.679 36.89 L H-HC--0.008985 -1 46.046 42.297 36.125 L C-CT--0.090132 -1 47.013 45.593 36.363 L H-HC--0.008985 -1 47.49 45.581 37.341 L H-HC--0.008985 -1 47.541 46.297 35.724 L H-HC--0.008985 -1 45.983 45.934 36.472 L C-C-0.447359 -1 48.541 42.209 35.191 L O-O--0.404629 -1 48.955 41.431 36.048 L N-N--0.404773 -1 52.165 41.01 35.609 L H-H-0.294276 -1 51.397 41.63 35.367 L C-CT--0.027733 -1 52.528 40.877 37.021 L H-H1-0.120802 -1 53.609 40.987 37.12 L C-CT--0.229951 -1 51.842 42.002 37.813 L H-HC-0.077428 -1 50.76 41.947 37.699 L H-HC-0.077428 -1 52.07 41.903 38.873 L H-HC-0.077428 -1 52.184 42.975 37.461 L C-C-0.570224 -1 52.157 39.497 37.59 L O-O--0.555129 -1 52.975 38.868 38.266 L N-N--0.371290 0 50.951 38.998 37.292 L H-H-0.234053 0 50.31 39.564 36.748 L C-CT--0.030057 0 50.516 37.678 37.754 L H-H1-0.102448 0 50.678 37.626 38.831 L C-CT--0.098720 0 49.014 37.489 37.487 L H-HC-0.060989 0 48.833 37.575 36.414 L H-HC-0.060989 0 48.735 36.477 37.787 L C-CA-0.021313 0 48.111 38.458 38.235 L C-CA--0.083109 0 48.242 38.624 39.63 L H-HA-0.098466 0 48.98 38.061 40.182 L C-CA--0.156974 0 47.416 39.529 40.318 L H-HA-0.123731 0 47.531 39.662 41.384 L C-CA--0.099824 0 46.44 40.261 39.622 L H-HA-0.114679 0 45.802 40.954 40.153 L C-CA--0.156974 0 46.291 40.084 38.236 L H-HA-0.123731 0 45.532 40.635 37.701 L C-CA--0.083109 0 47.128 39.19 37.543 L H-HA-0.098466 0 47.015 39.075 36.475 L C-C-0.547987 0 51.355 36.546 37.149 L O-O--0.506795 0 51.694 35.605 37.863 L N-N--0.404773 -1 51.777 36.664 35.882 L H-H-0.294276 -1 51.463 37.461 35.341 L C-CT--0.027733 -1 52.702 35.712 35.258 L H-H1-0.120802 -1 52.243 34.721 35.265 L C-CT--0.229951 -1 52.918 36.128 33.796 L H-HC-0.077428 -1 53.576 35.409 33.306 L H-HC-0.077428 -1 51.963 36.144 33.269 L H-HC-0.077428 -1 53.374 37.117 33.743 L C-C-0.570224 -1 54.03 35.591 36.035 L O-O--0.555129 -1 54.484 34.48 36.313 L N-N--0.300879 -1 54.61 36.72 36.469 L H-H-0.233693 -1 54.179 37.602 36.226 L C-CT--0.131381 -1 55.815 36.736 37.315 L H-H1-0.053266 -1 56.611 36.201 36.794 L C-CT-0.036707 -1 56.286 38.179 37.555 L H-HC-0.028012 -1 55.461 38.777 37.936 L H-HC-0.028012 -1 57.071 38.173 38.311 L C-CT-0.012454 -1 56.834 38.822 36.274 L H-HC-0.002964 -1 57.77 38.342 35.993 L H-HC-0.002964 -1 56.121 38.674 35.466 L C-CT-0.126329 -1 57.055 40.329 36.426 L H-H1-0.068148 -1 57.356 40.729 35.458 L H-H1-0.068148 -1 56.11 40.795 36.712 L N-N2--0.464890 -1 58.095 40.66 37.411 L H-H-0.326274 -1 58.689 39.897 37.732 L C-CA-0.565543 -1 58.418 41.887 37.798 L N-N2--0.685774 -1 57.764 42.939 37.353 L H-H-0.391052 -1 57.045 42.821 36.648 L H-H-0.391052 -1 58.062 43.878 37.591 L N-N2--0.685774 -1 59.415 42.07 38.633 L H-H-0.391052 -1 59.979 41.288 38.952 L H-H-0.391052 -1 59.687 43.006 38.918 L C-C-0.730308 -1 55.583 36.024 38.654 L O-O--0.578332 -1 56.375 35.165 39.045 L N-N--0.404773 -1 54.472 36.313 39.337 L H-H-0.294276 -1 53.85 37.024 38.97 L C-CT--0.027733 -1 54.122 35.653 40.598 L H-H1-0.120802 -1 54.942 35.808 41.304 L C-CT--0.229951 -1 52.876 36.338 41.17 L H-HC-0.077428 -1 52.028 36.2 40.499 L H-HC-0.077428 -1 52.638 35.912 42.145 L H-HC-0.077428 -1 53.062 37.406 41.295 L C-C-0.570224 -1 53.966 34.121 40.454 L O-O--0.555129 -1 54.456 33.381 41.307 L N-N--0.371290 -1 53.378 33.63 39.354 L H-H-0.234053 -1 52.944 34.276 38.703 L C-CT--0.030057 -1 53.332 32.195 39.044 L H-H1-0.102448 -1 52.987 31.665 39.933 L C-CT--0.098720 -1 52.336 31.932 37.902 L H-HC-0.060989 -1 52.608 32.547 37.042 L H-HC-0.060989 -1 52.432 30.891 37.592 L C-CA-0.021313 -1 50.876 32.166 38.254 L C-CA--0.083109 -1 50.31 31.541 39.383 L H-HA-0.098466 -1 50.909 30.89 40.004 L C-CA--0.156974 -1 48.961 31.755 39.712 L H-HA-0.123731 -1 48.544 31.289 40.591 L C-CA--0.099824 -1 48.165 32.593 38.913 L H-HA-0.114679 -1 47.13 32.767 39.173 L C-CA--0.156974 -1 48.724 33.215 37.784 L H-HA-0.123731 -1 48.117 33.863 37.169 L C-CA--0.083109 -1 50.071 32.992 37.447 L H-HA-0.098466 -1 50.486 33.467 36.57 L C-C-0.547987 -1 54.711 31.604 38.709 L O-O--0.506795 -1 55.004 30.48 39.119 L N-N--0.387353 -1 55.579 32.339 38.004 L H-H-0.300605 -1 55.259 33.224 37.622 L C-CT-0.037470 -1 56.966 31.926 37.751 L H-H1-0.152255 -1 56.979 30.935 37.293 L C-CT--0.032112 -1 57.641 32.909 36.783 L H-HC-0.030995 -1 57.468 33.928 37.124 L H-HC-0.030995 -1 58.717 32.736 36.794 L C-CT--0.020264 -1 57.153 32.77 35.332 L H-HC-0.030791 -1 57.544 31.849 34.899 L H-HC-0.030791 -1 56.066 32.713 35.312 L C-C-0.667812 -1 57.601 33.955 34.476 L O-O--0.628483 -1 58.645 34.559 34.682 L N-N--0.883393 -1 56.838 34.366 33.494 L H-H-0.408312 -1 57.134 35.207 33.009 L H-H-0.408312 -1 55.99 33.86 33.262 L C-C-0.418577 -1 57.774 31.816 39.054 L O-O--0.565310 -1 58.429 30.797 39.266 L N-N--0.450087 -1 57.703 32.806 39.951 L H-H-0.440048 -1 57.185 33.651 39.702 L C-CT--0.051858 -1 58.414 32.773 41.248 L H-H1--0.026204 -1 59.482 32.709 41.031 L C-CT-0.395217 -1 58.179 34.07 42.062 L H-HC--0.115672 -1 57.109 34.288 42.069 L C-CT--0.090132 -1 58.66 33.98 43.523 L H-HC--0.008985 -1 58.07 33.247 44.075 L H-HC--0.008985 -1 59.712 33.693 43.556 L H-HC--0.008985 -1 58.538 34.945 44.015 L C-CT--0.090132 -1 58.905 35.254 41.396 L H-HC--0.008985 -1 59.984 35.094 41.423 L H-HC--0.008985 -1 58.596 35.361 40.357 L H-HC--0.008985 -1 58.669 36.178 41.923 L C-C-0.447359 -1 58.037 31.526 42.064 L O-O--0.404629 -1 58.922 30.806 42.525 L N-N--0.427579 0 56.739 31.213 42.188 L H-H-0.241716 0 56.038 31.851 41.83 L C-CT--0.020082 0 56.294 30.002 42.887 L H-H1-0.106629 0 56.882 29.914 43.801 L C-CT--0.098364 0 54.823 30.16 43.304 L H-HC-0.065424 0 54.237 30.512 42.453 L H-HC-0.065424 0 54.434 29.18 43.585 L C-C*--0.099797 0 54.606 31.072 44.482 L C-CW--0.174053 0 53.885 32.217 44.487 L H-H4-0.170633 0 53.374 32.624 43.624 L N-NA--0.298433 0 53.919 32.789 45.748 L H-H-0.322375 0 53.461 33.66 45.999 L C-CN-0.141523 0 54.689 32.049 46.615 L C-CA--0.210701 0 55.045 32.223 47.96 L H-HA-0.125512 0 54.677 33.076 48.51 L C-CA--0.133022 0 55.896 31.288 48.57 L H-HA-0.119467 0 56.199 31.42 49.6 L C-CA--0.164054 0 56.361 30.184 47.834 L H-HA-0.119250 0 57.032 29.477 48.298 L C-CA--0.153992 0 55.976 30.005 46.491 L H-HA-0.123084 0 56.343 29.152 45.941 L C-CB-0.089641 0 55.139 30.939 45.839 L C-C-0.584129 0 56.558 28.697 42.106 L O-O--0.494730 0 56.663 27.633 42.72 L N-N--0.541430 -1 56.738 28.742 40.781 L H-H-0.345415 -1 56.72 29.652 40.333 L C-CT-0.118140 -1 57.151 27.564 39.99 L H-H1-0.142177 -1 56.471 26.734 40.19 L C-CT-0.146998 -1 57.108 27.849 38.477 L H-H1-0.040081 -1 57.799 28.655 38.235 L H-H1-0.040081 -1 57.443 26.957 37.946 L O-OH--0.640312 -1 55.807 28.185 38.012 L H-HO-0.446255 -1 55.487 28.955 38.525 L C-C-0.483424 -1 58.568 27.093 40.37 L O-O--0.580829 -1 58.814 25.894 40.484 L N-N--0.450087 -1 60.198 26.665 42.973 L H-H-0.440048 -1 59.325 27.085 42.675 L C-CT--0.051858 -1 60.268 26.004 44.293 L H-H1--0.026204 -1 61.202 25.443 44.333 L C-CT-0.395217 -1 60.305 27.054 45.434 L H-HC--0.115672 -1 60.343 26.528 46.388 L C-CT--0.090132 -1 61.572 27.921 45.356 L H-HC--0.008985 -1 61.61 28.58 46.219 L H-HC--0.008985 -1 62.459 27.285 45.36 L H-HC--0.008985 -1 61.57 28.533 44.454 L C-CT--0.090132 -1 59.059 27.959 45.436 L H-HC--0.008985 -1 58.158 27.355 45.521 L H-HC--0.008985 -1 59.095 28.634 46.29 L H-HC--0.008985 -1 59.009 28.55 44.522 L C-C-0.447359 -1 59.147 24.97 44.524 L O-O--0.404629 -1 58.951 24.51 45.652 L N-N--0.245382 -1 58.412 24.592 43.465 L H-H-0.255339 -1 58.664 24.951 42.55 L C-CT--0.271249 -1 57.315 23.606 43.499 L H-H1-0.163757 -1 57.455 22.948 44.355 L C-CT-0.237868 -1 55.945 24.295 43.644 L H-H1-0.044688 -1 55.17 23.534 43.68 L C-CT--0.176489 -1 55.784 25.143 44.902 L H-HC-0.060019 -1 56.016 24.54 45.778 L H-HC-0.060019 -1 56.449 26.004 44.872 L H-HC-0.060019 -1 54.754 25.494 44.974 L O-OH--0.601931 -1 55.698 25.089 42.516 L H-HO-0.405484 -1 56.076 25.971 42.676 L C-C-0.559878 -1 57.332 22.742 42.228 L O-O--0.552020 -1 57.958 23.135 41.24 L N-N--0.355153 -1 54.413 22.694 40.861 L H-H-0.262417 -1 54.811 23.078 41.708 L C-CT--0.101497 -1 53.173 23.299 40.379 L H-H1-0.136951 -1 52.513 22.5 40.05 L C-CT--0.144399 -1 52.476 24.076 41.516 L H-HC-0.052533 -1 53.126 24.895 41.829 L H-HC-0.052533 -1 51.564 24.523 41.115 L C-CT-0.191982 -1 52.103 23.234 42.757 L H-HC-0.000825 -1 53.011 22.819 43.196 L C-CT--0.123036 -1 51.443 24.132 43.81 L H-HC-0.022376 -1 50.535 24.585 43.408 L H-HC-0.022376 -1 51.188 23.545 44.693 L H-HC-0.022376 -1 52.138 24.917 44.106 L C-CT--0.123036 -1 51.164 22.068 42.413 L H-HC-0.022376 -1 51.683 21.353 41.777 L H-HC-0.022376 -1 50.863 21.553 43.326 L H-HC-0.022376 -1 50.274 22.436 41.901 L C-C-0.573471 -1 53.436 24.196 39.166 L O-O--0.557847 -1 54.392 24.971 39.147 L N-N--0.371290 -1 51.245 26.442 35.747 L H-H-0.234053 -1 52.121 26.774 35.36 L C-CT--0.030057 -1 50.119 27.38 35.72 L H-H1-0.102448 -1 49.237 26.907 36.146 L C-CT--0.098720 -1 50.481 28.606 36.581 L H-HC-0.060989 -1 51.312 29.135 36.109 L H-HC-0.060989 -1 49.633 29.294 36.587 L C-CA-0.021313 -1 50.862 28.3 38.02 L C-CA--0.083109 -1 52.207 28.06 38.365 L H-HA-0.098466 -1 52.977 28.102 37.609 L C-CA--0.156974 -1 52.554 27.754 39.693 L H-HA-0.123731 -1 53.587 27.558 39.949 L C-CA--0.099824 -1 51.561 27.698 40.685 L H-HA-0.114679 -1 51.83 27.464 41.706 L C-CA--0.156974 -1 50.219 27.954 40.348 L H-HA-0.123731 -1 49.455 27.921 41.11 L C-CA--0.083109 -1 49.871 28.257 39.019 L H-HA-0.098466 -1 48.841 28.461 38.766 L C-C-0.547987 -1 49.793 27.833 34.293 L O-O--0.506795 -1 50.696 28.089 33.499 L N-N--0.558201 -1 40.78 27.317 39.357 L H-H-0.319676 -1 41.294 27.013 38.537 L C-CT-0.007225 -1 41.377 27.095 40.679 L H-H1-0.082375 -1 40.666 26.548 41.301 L C-CT--0.047555 -1 42.656 26.25 40.589 L H-HC--0.014836 -1 43.416 26.813 40.052 L H-HC--0.014836 -1 43.033 26.079 41.595 L C-C-0.745168 -1 42.457 24.898 39.904 L O-O2--0.730385 -1 43.092 24.69 38.844 L O-O2--0.730385 -1 41.674 24.054 40.401 L C-C-0.443199 -1 41.639 28.458 41.339 L O-O--0.501445 -1 41.081 28.728 42.399 L N-N--0.451047 -1 42.28 29.382 40.615 L H-H-0.328831 -1 42.673 29.08 39.723 L C-CT--0.101874 -1 42.559 30.759 41.05 L H-H1-0.174193 -1 42.203 30.893 42.073 L C-CT-0.062238 -1 44.092 31.002 41.077 L H-HC-0.061662 -1 44.479 30.855 40.068 L C-CT--0.129989 -1 44.409 32.451 41.504 L H-HC-0.030227 -1 43.958 33.161 40.815 L H-HC-0.030227 -1 44.023 32.645 42.503 L H-HC-0.030227 -1 45.483 32.631 41.491 L C-CT-0.022230 -1 44.788 29.978 42.014 L H-HC-0.011551 -1 44.412 30.099 43.028 L H-HC-0.011551 -1 44.544 28.965 41.692 L C-CT--0.101251 -1 46.318 30.059 42.043 L H-HC-0.023792 -1 46.708 29.24 42.648 L H-HC-0.023792 -1 46.706 29.965 41.028 L H-HC-0.023792 -1 46.647 30.998 42.485 L C-C-0.569383 -1 41.78 31.762 40.175 L O-O--0.619535 -1 42.252 32.207 39.128 L N-N--0.394918 -1 40.556 32.114 40.579 L H-H-0.280537 -1 40.187 31.696 41.426 L C-CT--0.087681 -1 39.855 33.283 40.015 L H-H1-0.123080 -1 39.95 33.271 38.928 L C-CT-0.019227 -1 38.363 33.255 40.383 L H-HC-0.048840 -1 38.26 33.211 41.465 L H-HC-0.048840 -1 37.895 34.183 40.054 L C-CT--0.208167 -1 37.609 32.073 39.758 L H-H1-0.124228 -1 38.102 31.145 40.052 L H-H1-0.124228 -1 36.606 32.052 40.185 L S-S--0.211958 -1 37.45 32.093 37.951 L C-CT--0.284698 -1 36.35 33.514 37.739 L H-H1-0.128394 -1 36.862 34.431 38.028 L H-H1-0.128394 -1 36.043 33.595 36.697 L H-H1-0.128394 -1 35.459 33.392 38.359 L C-C-0.599684 -1 40.491 34.58 40.537 L O-O--0.566424 -1 40.863 34.656 41.707 L N-N--0.451047 -1 40.579 35.619 39.703 L H-H-0.328831 -1 40.321 35.463 38.732 L C-CT--0.101874 -1 41.252 36.892 40.02 L H-H1-0.174193 -1 41.455 36.924 41.088 L C-CT-0.062238 -1 42.616 36.992 39.287 L H-HC-0.061662 -1 42.427 36.987 38.215 L C-CT--0.129989 -1 43.314 38.319 39.644 L H-HC-0.030227 -1 44.237 38.419 39.077 L H-HC-0.030227 -1 42.688 39.171 39.382 L H-HC-0.030227 -1 43.539 38.351 40.711 L C-CT-0.022230 -1 43.529 35.784 39.616 L H-HC-0.011551 -1 43.672 35.725 40.696 L H-HC-0.011551 -1 43.034 34.87 39.291 L C-CT--0.101251 -1 44.908 35.796 38.94 L H-HC-0.023792 -1 45.531 36.588 39.354 L H-HC-0.023792 -1 45.403 34.841 39.119 L H-HC-0.023792 -1 44.795 35.939 37.865 L C-C-0.569383 -1 40.332 38.076 39.691 L O-O--0.619535 -1 39.815 38.181 38.576 L N-N--0.430106 -1 40.131 38.969 40.666 L H-H-0.254543 -1 40.61 38.824 41.547 L C-CT-0.044609 -1 39.187 40.091 40.579 L H-H1-0.059601 -1 39.146 40.447 39.548 L C-CT--0.093650 -1 37.792 39.56 40.977 L H-HC-0.043321 -1 37.532 38.727 40.327 L H-HC-0.043321 -1 37.831 39.18 41.997 L C-C-0.583519 -1 36.668 40.591 40.903 L O-O--0.526813 -1 36.037 40.916 41.901 L N-N--0.781735 -1 36.34 41.091 39.727 L H-H-0.355079 -1 35.58 41.764 39.695 L H-H-0.355079 -1 36.788 40.797 38.875 L C-C-0.617141 -1 39.62 41.264 41.483 L O-O--0.523909 -1 39.644 41.136 42.708 L N-N--0.371290 -1 39.941 42.423 40.895 L H-H-0.234053 -1 39.959 42.469 39.886 L C-CT--0.030057 -1 39.927 43.691 41.636 L H-H1-0.102448 -1 40.542 43.597 42.532 L C-CT--0.098720 -1 40.501 44.819 40.77 L H-HC-0.060989 -1 40.115 44.723 39.758 L H-HC-0.060989 -1 40.141 45.773 41.156 L C-CA-0.021313 -1 42.018 44.863 40.74 L C-CA--0.083109 -1 42.743 43.979 39.918 L H-HA-0.098466 -1 42.225 43.257 39.305 L C-CA--0.156974 -1 44.148 44.022 39.897 L H-HA-0.123731 -1 44.701 43.339 39.27 L C-CA--0.099824 -1 44.833 44.952 40.698 L H-HA-0.114679 -1 45.911 44.989 40.684 L C-CA--0.156974 -1 44.115 45.83 41.526 L H-HA-0.123731 -1 44.643 46.538 42.149 L C-CA--0.083109 -1 42.711 45.783 41.551 L H-HA-0.098466 -1 42.173 46.455 42.202 L C-C-0.547987 -1 38.486 43.996 42.073 L O-O--0.506795 -1 37.553 43.812 41.291 L N-N--0.374282 -1 38.303 44.412 43.329 L H-H-0.253981 -1 39.128 44.556 43.903 L C-CT--0.128844 -1 37.013 44.313 44.017 L H-HC-0.088859 -1 36.194 44.367 43.3 L H-HC-0.088859 -1 36.971 43.332 44.49 L C-C-0.580584 -1 36.781 45.361 45.097 L O-O--0.509157 -1 36.599 44.993 46.255 L N-N--0.506799 -1 32.851 42.751 46.948 L H-H-0.351021 -1 33.142 42.269 47.796 L C-CT-0.119066 -1 33.039 42.049 45.674 L H-H1-0.137761 -1 32.42 42.534 44.917 L C-CT--0.122638 -1 34.502 42.227 45.24 L H-HC-0.086329 -1 34.665 41.725 44.285 L H-HC-0.086329 -1 34.671 43.291 45.084 L C-CC--0.001547 -1 35.504 41.72 46.245 L N-NA--0.205785 -1 35.98 42.399 47.343 L H-H-0.318273 -1 35.816 43.379 47.56 L C-CR-0.147273 -1 36.8 41.58 48.014 L H-H5-0.122182 -1 37.333 41.858 48.914 L N-NB--0.601482 -1 36.875 40.378 47.408 L C-CV-0.043744 -1 36.085 40.484 46.255 L H-H4-0.110157 -1 35.926 39.711 45.513 L C-C-0.515947 -1 32.565 40.576 45.677 L O-O--0.599831 -1 32.738 39.884 44.665 L N-N--0.558201 -1 32.354 37.465 48.118 L H-H-0.319676 -1 32.496 38.299 48.673 L C-CT-0.007225 -1 32.916 36.182 48.599 L H-H1-0.082375 -1 32.197 35.401 48.346 L C-CT--0.047555 -1 34.215 35.832 47.843 L H-HC--0.014836 -1 34.607 34.881 48.204 L H-HC--0.014836 -1 33.976 35.688 46.79 L C-C-0.745168 -1 35.298 36.9 47.953 L O-O2--0.730385 -1 35.253 37.957 47.302 L O-O2--0.730385 -1 36.314 36.805 48.67 L C-C-0.443199 -1 33.088 36.06 50.133 L O-O--0.501445 -1 33.72 35.108 50.596 L N-N--0.371290 -1 36.24 44.622 51.815 L H-H-0.234053 -1 35.929 44.696 50.854 L C-CT--0.030057 -1 37.495 45.286 52.176 L H-H1-0.102448 -1 38.081 44.604 52.788 L C-CT--0.098720 -1 38.32 45.665 50.931 L H-HC-0.060989 -1 37.708 46.259 50.256 L H-HC-0.060989 -1 39.135 46.315 51.254 L C-CA-0.021313 -1 38.962 44.528 50.162 L C-CA--0.083109 -1 39.845 43.646 50.811 L H-HA-0.098466 -1 40.044 43.758 51.866 L C-CA--0.156974 -1 40.489 42.631 50.086 L H-HA-0.123731 -1 41.161 41.958 50.595 L C-CA--0.099824 -1 40.263 42.496 48.707 L H-HA-0.114679 -1 40.753 41.709 48.154 L C-CA--0.156974 -1 39.404 43.393 48.048 L H-HA-0.123731 -1 39.24 43.306 46.983 L C-CA--0.083109 -1 38.755 44.406 48.776 L H-HA-0.098466 -1 38.113 45.108 48.265 L C-C-0.547987 -1 37.224 46.556 52.993 L O-O--0.506795 -1 36.28 47.302 52.721 L N-N--0.558201 -1 38.105 46.837 53.953 L H-H-0.319676 -1 38.851 46.165 54.098 L C-CT-0.007225 -1 38.261 48.179 54.526 L H-H1-0.082375 -1 37.297 48.512 54.912 L C-CT--0.047555 -1 39.251 48.134 55.704 L H-HC--0.014836 -1 39.4 49.146 56.083 L H-HC--0.014836 -1 38.801 47.545 56.505 L C-C-0.745168 -1 40.611 47.532 55.338 L O-O2--0.730385 -1 40.945 46.459 55.89 L O-O2--0.730385 -1 41.322 48.104 54.474 L C-C-0.443199 -1 38.725 49.187 53.458 L O-O--0.501445 -1 39.455 48.822 52.531 L N-N--0.558201 -1 44.145 52.352 53.034 L H-H-0.319676 -1 44.326 52.021 52.084 L C-CT-0.007225 -1 44.981 51.74 54.078 L H-H1-0.082375 -1 45.889 51.385 53.586 L C-CT--0.047555 -1 45.442 52.78 55.126 L H-HC--0.014836 -1 44.605 53.054 55.768 L H-HC--0.014836 -1 46.204 52.325 55.76 L C-C-0.745168 -1 46.045 54.041 54.503 L O-O2--0.730385 -1 46.929 53.919 53.627 L O-O2--0.730385 -1 45.673 55.166 54.913 L C-C-0.443199 -1 44.314 50.478 54.674 L O-O--0.501445 -1 43.483 49.842 54.016 L N-N--0.374282 -1 44.701 50.073 55.89 L H-H-0.253981 -1 45.4 50.617 56.375 L C-CT--0.128844 -1 44.203 48.858 56.547 L H-HC-0.088859 -1 44.488 48.853 57.599 L H-HC-0.088859 -1 43.116 48.818 56.471 L C-C-0.580584 -1 44.787 47.615 55.883 L O-O--0.509157 -1 45.985 47.358 56.01 L N-N--0.355153 0 43.95 46.876 55.149 L H-H-0.262417 0 42.972 47.151 55.125 L C-CT--0.101497 0 44.347 45.749 54.299 L H-H1-0.136951 0 45.421 45.582 54.404 L C-CT--0.144399 0 43.606 44.469 54.74 L H-HC-0.052533 0 42.557 44.589 54.476 L H-HC-0.052533 0 43.993 43.628 54.162 L C-CT-0.191982 0 43.685 44.112 56.241 L H-HC-0.000825 0 43.27 44.931 56.83 L C-CT--0.123036 0 42.834 42.863 56.512 L H-HC-0.022376 0 43.215 42.015 55.941 L H-HC-0.022376 0 42.862 42.62 57.575 L H-HC-0.022376 0 41.799 43.051 56.228 L C-CT--0.123036 0 45.124 43.855 56.711 L H-HC-0.022376 0 45.556 43.029 56.151 L H-HC-0.022376 0 45.738 44.743 56.567 L H-HC-0.022376 0 45.126 43.605 57.772 L C-C-0.573471 0 44.074 46.07 52.819 L O-O--0.557847 0 43.293 46.978 52.498 L N-N--0.355153 -1 44.725 45.322 51.92 L H-H-0.262417 -1 45.377 44.641 52.294 L C-CT--0.101497 -1 44.83 45.632 50.485 L H-H1-0.136951 -1 44.183 46.477 50.245 L C-CT--0.144399 -1 46.287 46.024 50.146 L H-HC-0.052533 -1 46.869 45.102 50.087 L H-HC-0.052533 -1 46.286 46.467 49.148 L C-CT-0.191982 -1 47.042 46.98 51.094 L H-HC-0.000825 -1 47.112 46.527 52.083 L C-CT--0.123036 -1 48.466 47.166 50.551 L H-HC-0.022376 -1 49.052 47.764 51.249 L H-HC-0.022376 -1 48.956 46.206 50.412 L H-HC-0.022376 -1 48.426 47.663 49.584 L C-CT--0.123036 -1 46.387 48.36 51.232 L H-HC-0.022376 -1 46.396 48.87 50.27 L H-HC-0.022376 -1 45.362 48.266 51.58 L H-HC-0.022376 -1 46.942 48.96 51.953 L C-C-0.573471 -1 44.415 44.477 49.551 L O-O--0.557847 -1 44.24 44.703 48.357 L N-N--0.404773 0 44.301 43.241 50.046 L H-H-0.294276 0 44.402 43.098 51.038 L C-CT--0.027733 0 44.055 42.049 49.227 L H-H1-0.120802 0 43.289 42.279 48.487 L C-CT--0.229951 0 45.368 41.685 48.51 L H-HC-0.077428 0 46.125 41.391 49.239 L H-HC-0.077428 0 45.195 40.861 47.82 L H-HC-0.077428 0 45.736 42.535 47.935 L C-C-0.570224 0 43.565 40.86 50.072 L O-O--0.555129 0 43.682 40.897 51.298 L N-N--0.506799 0 43.059 39.801 49.43 L H-H-0.351021 0 42.976 39.852 48.419 L C-CT-0.119066 0 42.939 38.479 50.059 L H-H1-0.137761 0 43.83 38.339 50.677 L C-CT--0.122638 0 41.732 38.41 51.021 L H-HC-0.086329 0 41.656 37.389 51.395 L H-HC-0.086329 0 41.969 39.026 51.889 L C-CC--0.001547 0 40.362 38.833 50.522 L N-NA--0.205785 0 39.548 39.739 51.157 L H-H-0.318273 0 39.781 40.273 51.991 L C-CR-0.147273 0 38.371 39.77 50.52 L H-H5-0.122182 0 37.545 40.404 50.822 L N-NB--0.601482 0 38.348 38.9 49.488 L C-CV-0.043744 0 39.619 38.3 49.496 L H-H4-0.110157 0 39.936 37.51 48.836 L C-C-0.515947 0 42.916 37.288 49.073 L O-O--0.599831 0 42.207 37.286 48.06 L N-N--0.404773 0 43.628 36.226 49.451 L H-H-0.294276 0 44.355 36.385 50.145 L C-CT--0.027733 0 43.515 34.861 48.943 L H-H1-0.120802 0 42.575 34.759 48.406 L C-CT--0.229951 0 44.676 34.599 47.979 L H-HC-0.077428 0 44.563 33.623 47.506 L H-HC-0.077428 0 44.69 35.364 47.205 L H-HC-0.077428 0 45.617 34.627 48.526 L C-C-0.570224 0 43.495 33.845 50.099 L O-O--0.555129 0 43.842 34.175 51.237 L N-N--0.371290 0 43.082 32.607 49.808 L H-H-0.234053 0 42.887 32.388 48.842 L C-CT--0.030057 0 42.705 31.608 50.817 L H-H1-0.102448 0 43.147 31.877 51.778 L C-CT--0.098720 0 41.173 31.636 50.978 L H-HC-0.060989 0 40.712 31.326 50.038 L H-HC-0.060989 0 40.876 30.915 51.74 L C-CA-0.021313 0 40.628 32.994 51.383 L C-CA--0.083109 0 39.909 33.775 50.458 L H-HA-0.098466 0 39.718 33.397 49.463 L C-CA--0.156974 0 39.452 35.054 50.82 L H-HA-0.123731 0 38.903 35.652 50.106 L C-CA--0.099824 0 39.711 35.56 52.105 L H-HA-0.114679 0 39.366 36.548 52.379 L C-CA--0.156974 0 40.421 34.779 53.033 L H-HA-0.123731 0 40.621 35.164 54.023 L C-CA--0.083109 0 40.878 33.498 52.674 L H-HA-0.098466 0 41.435 32.908 53.388 L C-C-0.547987 0 43.215 30.199 50.477 L O-O--0.506795 0 43.741 29.96 49.39 L N-N--0.404773 0 43.062 29.265 51.42 L H-H-0.294276 0 42.614 29.542 52.29 L C-CT--0.027733 0 43.586 27.9 51.338 L H-H1-0.120802 0 44.672 27.981 51.349 L C-CT--0.229951 0 43.147 27.152 52.602 L H-HC-0.077428 0 42.059 27.077 52.629 L H-HC-0.077428 0 43.574 26.148 52.606 L H-HC-0.077428 0 43.488 27.678 53.492 L C-C-0.570224 0 43.146 27.123 50.07 L O-O--0.555129 0 42.011 27.324 49.614 L N-N--0.088116 0 43.996 26.209 49.547 L C-CT--0.011906 0 45.389 26.037 49.948 L H-H1-0.043951 0 45.436 25.636 50.96 L H-H1-0.043950 0 45.927 26.985 49.895 L C-CT-0.013059 0 46.02 25.047 48.972 L H-HC-0.019574 0 46.744 24.399 49.466 L H-HC-0.019574 0 46.493 25.594 48.16 L C-CT--0.003351 0 44.828 24.264 48.439 L H-HC-0.019352 0 44.609 23.438 49.114 L H-HC-0.019352 0 45.01 23.878 47.44 L C-CT--0.034577 0 43.684 25.284 48.456 L H-H1-0.059977 0 43.708 25.851 47.525 L C-C-0.333720 0 42.333 24.568 48.565 L O-O--0.434559 0 41.756 24.432 49.646 L N-N--0.374282 -1 41.864 24.071 47.416 L H-H-0.253981 -1 42.402 24.248 46.576 L C-CT--0.128844 -1 40.551 23.446 47.227 L H-HC-0.088859 -1 40.692 22.412 46.914 L H-HC-0.088859 -1 39.976 23.455 48.152 L C-C-0.580584 -1 39.737 24.143 46.133 L O-O--0.509157 -1 40.191 25.131 45.554 L N-N--0.245382 -1 38.544 23.631 45.815 L H-H-0.255339 -1 38.214 22.832 46.348 L C-CT--0.271249 -1 37.641 24.22 44.803 L H-H1-0.163757 -1 38.241 24.556 43.957 L C-CT-0.237868 -1 36.647 23.184 44.258 L H-H1-0.044688 -1 36.023 23.661 43.5 L C-CT--0.176489 -1 37.352 22.004 43.588 L H-HC-0.060019 -1 38. 21.491 44.297 L H-HC-0.060019 -1 36.61 21.301 43.211 L H-HC-0.060019 -1 37.952 22.364 42.752 L O-OH--0.601931 -1 35.811 22.705 45.285 L H-HO-0.405484 -1 34.936 23.104 45.119 L C-C-0.559878 -1 36.922 25.46 45.342 L O-O--0.552020 -1 37.006 25.778 46.532 L N-N--0.374282 -1 36.217 26.173 44.455 L H-H-0.253981 -1 36.236 25.889 43.486 L C-CT--0.128844 -1 35.406 27.34 44.809 L H-HC-0.088859 -1 34.766 27.622 43.973 L H-HC-0.088859 -1 34.783 27.073 45.661 L C-C-0.580584 -1 36.266 28.545 45.187 L O-O--0.509157 -1 37.222 28.859 44.469 L N-N--0.450087 -1 35.918 29.213 46.29 L H-H-0.440048 -1 35.043 28.916 46.734 L C-CT--0.051858 -1 36.647 30.367 46.868 L H-H1--0.026204 -1 36.673 31.132 46.094 L C-CT-0.395217 -1 35.927 30.984 48.094 L H-HC--0.115672 -1 36.557 31.784 48.478 L C-CT--0.090132 -1 34.591 31.642 47.712 L H-HC--0.008985 -1 33.896 30.908 47.317 L H-HC--0.008985 -1 34.146 32.114 48.589 L H-HC--0.008985 -1 34.758 32.409 46.957 L C-CT--0.090132 -1 35.731 29.979 49.244 L H-HC--0.008985 -1 35.25 30.473 50.088 L H-HC--0.008985 -1 35.11 29.142 48.928 L H-HC--0.008985 -1 36.696 29.597 49.577 L C-C-0.447359 -1 38.11 30.091 47.269 L O-O--0.404629 -1 38.863 31.041 47.479 L N-N--0.374282 -1 38.541 28.824 47.38 L H-H-0.253981 -1 37.9 28.067 47.176 L C-CT--0.128844 -1 39.929 28.491 47.733 L H-HC-0.088859 -1 40.198 28.994 48.662 L H-HC-0.088859 -1 40.033 27.414 47.864 L C-C-0.580584 -1 40.909 28.935 46.648 L O-O--0.509157 -1 40.577 28.857 45.468 L N-N--0.374282 0 42.104 29.409 47.002 L H-H-0.253981 0 42.341 29.427 47.987 L C-CT--0.128844 0 43.144 29.857 46.056 L H-HC-0.088859 0 44.066 30.021 46.611 L H-HC-0.088859 0 43.302 29.072 45.319 L C-C-0.580584 0 42.845 31.139 45.261 L O-O--0.509157 0 43.781 31.855 44.912 L N-N--0.558201 0 41.573 31.439 44.974 L H-H-0.319676 0 40.876 30.765 45.258 L C-CT-0.007225 0 41.108 32.678 44.338 L H-H1-0.082375 0 41.423 32.683 43.295 L C-CT--0.047555 0 39.573 32.774 44.399 L H-HC--0.014836 0 39.273 32.773 45.447 L H-HC--0.014836 0 39.288 33.747 43.993 L C-C-0.745168 0 38.734 31.719 43.661 L O-O2--0.730385 0 37.497 31.84 43.766 L O-O2--0.730385 0 39.231 30.811 42.943 L C-C-0.443199 0 41.714 33.914 45.033 L O-O--0.501445 0 41.941 33.905 46.242 L N-N--0.541430 0 41.958 34.995 44.296 L H-H-0.345415 0 41.653 34.997 43.324 L C-CT-0.118140 0 42.773 36.132 44.754 L H-H1-0.142177 0 42.877 36.113 45.839 L C-CT-0.146998 0 44.178 36.01 44.147 L H-H1-0.040081 0 44.096 35.968 43.06 L H-H1-0.040081 0 44.759 36.894 44.413 L O-OH--0.640312 0 44.869 34.858 44.608 L H-HO-0.446255 0 44.279 34.089 44.603 L C-C-0.483424 0 42.159 37.487 44.368 L O-O--0.580829 0 41.946 37.774 43.187 L N-N--0.528120 0 41.898 38.346 45.36 L H-H-0.281695 0 42.099 38.059 46.314 L C-CT-0.031249 0 41.214 39.635 45.184 L H-H1-0.085175 0 41.055 39.808 44.123 L C-CT--0.152267 0 39.843 39.588 45.881 L H-HC-0.054608 0 40.001 39.548 46.959 L H-HC-0.054608 0 39.301 40.508 45.658 L C-CC-0.278406 0 38.962 38.431 45.497 L N-NB--0.423316 0 38.113 37.75 46.372 L C-CR-0.025960 0 37.567 36.772 45.63 L H-H5-0.126832 0 36.865 36.043 45.999 L N-NA--0.097984 0 38.003 36.813 44.363 L H-H-0.266865 0 37.753 36.16 43.633 L C-CW--0.297563 0 38.877 37.865 44.258 L H-H4-0.160413 0 39.433 38.163 43.384 L C-C-0.662405 0 42.033 40.818 45.722 L O-O--0.528966 0 42.818 40.655 46.658 L N-N--0.371290 0 41.799 42.016 45.169 L H-H-0.234053 0 41.088 42.073 44.454 L C-CT--0.030057 0 42.593 43.225 45.43 L H-H1-0.102448 0 43.17 43.092 46.346 L C-CT--0.098720 0 43.59 43.428 44.275 L H-HC-0.060989 0 43.04 43.524 43.339 L H-HC-0.060989 0 44.125 44.367 44.435 L C-CA-0.021313 0 44.61 42.31 44.14 L C-CA--0.083109 0 44.343 41.197 43.318 L H-HA-0.098466 0 43.424 41.148 42.752 L C-CA--0.156974 0 45.257 40.13 43.254 L H-HA-0.123731 0 45.038 39.27 42.637 L C-CA--0.099824 0 46.449 40.178 43.998 L H-HA-0.114679 0 47.148 39.354 43.953 L C-CA--0.156974 0 46.73 41.297 44.802 L H-HA-0.123731 0 47.646 41.338 45.373 L C-CA--0.083109 0 45.81 42.36 44.875 L H-HA-0.098466 0 46.022 43.211 45.506 L C-C-0.547987 0 41.7 44.461 45.628 L O-O--0.506795 0 40.692 44.635 44.94 L N-N--0.558201 -1 42.074 45.303 46.591 L H-H-0.319676 -1 42.924 45.088 47.105 L C-CT-0.007225 -1 41.305 46.448 47.083 L H-H1-0.082375 -1 40.247 46.184 47.07 L C-CT--0.047555 -1 41.692 46.698 48.549 L H-HC--0.014836 -1 41.615 45.757 49.096 L H-HC--0.014836 -1 42.733 47.022 48.589 L C-C-0.745168 -1 40.823 47.729 49.271 L O-O2--0.730385 -1 39.775 48.144 48.727 L O-O2--0.730385 -1 41.217 48.079 50.415 L C-C-0.443199 -1 41.488 47.695 46.201 L O-O--0.501445 -1 42.376 48.522 46.396 L N-N--0.558201 -1 40.634 47.823 45.192 L H-H-0.319676 -1 39.991 47.059 45.049 L C-CT-0.007225 -1 40.544 48.968 44.275 L H-H1-0.082375 -1 41.548 49.192 43.913 L C-CT--0.047555 -1 39.729 48.474 43.063 L H-HC--0.014836 -1 40.298 47.684 42.575 L H-HC--0.014836 -1 38.817 48.008 43.428 L C-C-0.745168 -1 39.372 49.512 41.995 L O-O2--0.730385 -1 40.286 50.121 41.393 L O-O2--0.730385 -1 38.155 49.638 41.716 L C-C-0.443199 -1 40.041 50.282 44.942 L O-O--0.501445 -1 39.801 51.263 44.244 L N-N--0.423392 -1 42.314 51.5 47.05 L H-H-0.306811 -1 42.138 50.573 46.677 L C-CT-0.031633 -1 43.713 51.884 47.275 L H-H1-0.065100 -1 43.753 52.588 48.101 L C-CT-0.074772 -1 44.524 50.634 47.69 L H-HC--0.003535 -1 44.583 49.962 46.834 L H-HC--0.003535 -1 45.544 50.927 47.94 L C-CT--0.033909 -1 43.948 49.844 48.881 L H-HC--0.004135 -1 42.918 49.565 48.673 L H-HC--0.004135 -1 44.514 48.918 48.98 L C-C-0.765188 -1 43.979 50.579 50.221 L O-O2--0.824035 -1 44.757 51.545 50.398 L O-O2--0.824035 -1 43.214 50.174 51.132 L C-C-0.469735 -1 44.313 52.598 46.036 L O-O--0.592528 -1 43.588 53.152 45.205 L N-N--0.427579 -1 47.369 51.624 43.059 L H-H-0.241716 -1 46.681 52.043 42.445 L C-CT--0.020082 -1 48.103 50.459 42.552 L H-H1-0.106629 -1 48.633 49.976 43.375 L C-CT--0.098364 -1 47.089 49.444 42.011 L H-HC-0.065424 -1 46.45 49.932 41.273 L H-HC-0.065424 -1 47.627 48.64 41.507 L C-C*--0.099797 -1 46.24 48.832 43.082 L C-CW--0.174053 -1 44.959 49.162 43.367 L H-H4-0.170633 -1 44.375 49.906 42.835 L N-NA--0.298433 -1 44.526 48.432 44.458 L H-H-0.322375 -1 43.615 48.548 44.898 L C-CN-0.141523 -1 45.512 47.596 44.933 L C-CA--0.210701 -1 45.566 46.693 46.003 L H-HA-0.125512 -1 44.703 46.561 46.639 L C-CA--0.133022 -1 46.75 45.973 46.235 L H-HA-0.119467 -1 46.799 45.267 47.052 L C-CA--0.164054 -1 47.868 46.179 45.406 L H-HA-0.119250 -1 48.78 45.631 45.59 L C-CA--0.153992 -1 47.807 47.1 44.342 L H-HA-0.123084 -1 48.677 47.257 43.722 L C-CB-0.089641 -1 46.625 47.827 44.072 L C-C-0.584129 -1 49.146 50.867 41.507 L O-O--0.494730 -1 48.834 51.554 40.532 L N-N--0.487560 -1 51.069 50.856 46.006 L H-H-0.263521 -1 50.269 50.875 45.382 L C-CT-0.009614 -1 51.647 49.551 46.326 L H-H1-0.095501 -1 52.55 49.69 46.921 L C-CT--0.051853 -1 50.648 48.757 47.177 L H-HC-0.019145 -1 49.776 48.512 46.566 L H-HC-0.019145 -1 51.119 47.82 47.47 L C-CA-0.112601 -1 50.186 49.473 48.433 L C-CA--0.183461 -1 48.933 50.118 48.463 L H-HA-0.132715 -1 48.301 50.108 47.584 L C-CA--0.181823 -1 48.492 50.754 49.639 L H-HA-0.137303 -1 47.519 51.222 49.667 L C-C-0.206277 -1 49.313 50.767 50.789 L O-OH--0.421233 -1 48.891 51.388 51.926 L H-HO-0.329691 -1 49.521 51.291 52.654 L C-CA--0.181823 -1 50.575 50.133 50.752 L H-HA-0.137303 -1 51.206 50.137 51.626 L C-CA--0.183461 -1 51.007 49.488 49.577 L H-HA-0.132715 -1 51.968 48.996 49.559 L C-C-0.622290 -1 52.03 48.785 45.051 L O-O--0.526607 -1 51.267 48.733 44.085 L N-N--0.541430 -1 53.23 48.201 45.05 L H-H-0.345415 -1 53.798 48.28 45.883 L C-CT-0.118140 -1 53.78 47.436 43.927 L H-H1-0.142177 -1 53.671 48.023 43.021 L C-CT-0.146998 -1 55.284 47.214 44.133 L H-H1-0.040081 -1 55.772 48.171 44.321 L H-H1-0.040081 -1 55.445 46.569 44.996 L O-OH--0.640312 -1 55.851 46.624 42.981 L H-HO-0.446255 -1 56.403 47.284 42.522 L C-C-0.483424 -1 53.034 46.106 43.73 L O-O--0.580829 -1 53.199 45.162 44.512 L N-N--0.355153 -1 52.174 46.035 42.705 L H-H-0.262417 -1 52.05 46.864 42.128 L C-CT--0.101497 -1 51.239 44.92 42.518 L H-H1-0.136951 -1 50.591 44.891 43.395 L C-CT--0.144399 -1 50.369 45.197 41.278 L H-HC-0.052533 -1 49.865 46.157 41.408 L H-HC-0.052533 -1 51.02 45.278 40.405 L C-CT-0.191982 -1 49.305 44.11 41.001 L H-HC-0.000825 -1 49.799 43.147 40.863 L C-CT--0.123036 -1 48.285 43.973 42.143 L H-HC-0.022376 -1 47.524 43.239 41.873 L H-HC-0.022376 -1 48.774 43.63 43.054 L H-HC-0.022376 -1 47.802 44.932 42.333 L C-CT--0.123036 -1 48.58 44.446 39.695 L H-HC-0.022376 -1 47.828 43.684 39.491 L H-HC-0.022376 -1 48.095 45.42 39.774 L H-HC-0.022376 -1 49.292 44.466 38.869 L C-C-0.573471 -1 51.926 43.548 42.445 L O-O--0.557847 -1 51.514 42.638 43.161 L N-N--0.371290 0 52.984 43.395 41.636 L H-H-0.234053 0 53.302 44.186 41.098 L C-CT--0.030057 0 53.722 42.126 41.534 L H-H1-0.102448 0 53.007 41.34 41.287 L C-CT--0.098720 0 54.755 42.188 40.392 L H-HC-0.060989 0 55.258 41.221 40.332 L H-HC-0.060989 0 54.229 42.321 39.448 L C-CA-0.021313 0 55.814 43.271 40.499 L C-CA--0.083109 0 56.978 43.054 41.263 L H-HA-0.098466 0 57.12 42.119 41.787 L C-CA--0.156974 0 57.964 44.052 41.349 L H-HA-0.123731 0 58.855 43.886 41.939 L C-CA--0.099824 0 57.797 45.264 40.658 L H-HA-0.114679 0 58.557 46.029 40.719 L C-CA--0.156974 0 56.646 45.478 39.881 L H-HA-0.123731 0 56.53 46.405 39.34 L C-CA--0.083109 0 55.654 44.486 39.803 L H-HA-0.098466 0 54.776 44.655 39.196 L C-C-0.547987 0 54.369 41.711 42.866 L O-O--0.506795 0 54.418 40.521 43.174 L N-N--0.355153 0 54.815 42.686 43.669 L H-H-0.262417 0 54.73 43.641 43.348 L C-CT--0.101497 0 55.371 42.468 45.005 L H-H1-0.136951 0 56.115 41.672 44.946 L C-CT--0.144399 0 56.049 43.789 45.451 L H-HC-0.052533 0 56.457 44.284 44.567 L H-HC-0.052533 0 55.289 44.453 45.859 L C-CT-0.191982 0 57.201 43.713 46.473 L H-HC-0.000825 0 57.507 44.739 46.685 L C-CT--0.123036 0 56.78 43.082 47.803 L H-HC-0.022376 0 55.888 43.581 48.183 L H-HC-0.022376 0 56.58 42.02 47.666 L H-HC-0.022376 0 57.583 43.195 48.533 L C-CT--0.123036 0 58.422 42.983 45.9 L H-HC-0.022376 0 59.248 43.046 46.609 L H-HC-0.022376 0 58.191 41.933 45.72 L H-HC-0.022376 0 58.73 43.45 44.964 L C-C-0.573471 0 54.265 41.99 45.961 L O-O--0.557847 0 54.4 40.933 46.573 L N-N--0.450087 0 53.145 42.717 46.034 L H-H-0.440048 0 53.105 43.565 45.465 L C-CT--0.051858 0 52.003 42.381 46.913 L H-H1--0.026204 0 52.384 42.329 47.932 L C-CT-0.395217 0 50.914 43.483 46.874 L H-HC--0.115672 0 50.646 43.673 45.833 L C-CT--0.090132 0 49.632 43.096 47.636 L H-HC--0.008985 0 48.941 43.939 47.66 L H-HC--0.008985 0 49.13 42.266 47.139 L H-HC--0.008985 0 49.876 42.806 48.658 L C-CT--0.090132 0 51.451 44.791 47.48 L H-HC--0.008985 0 51.748 44.63 48.515 L H-HC--0.008985 0 52.313 45.151 46.923 L H-HC--0.008985 0 50.675 45.555 47.448 L C-C-0.447359 0 51.396 41.009 46.575 L O-O--0.404629 0 51.14 40.208 47.478 L N-N--0.404773 0 51.2 40.712 45.283 L H-H-0.294276 0 51.429 41.413 44.583 L C-CT--0.027733 0 50.591 39.466 44.814 L H-H1-0.120802 0 49.583 39.397 45.228 L C-CT--0.229951 0 50.476 39.526 43.284 L H-HC-0.077428 0 49.999 38.616 42.916 L H-HC-0.077428 0 49.871 40.385 42.989 L H-HC-0.077428 0 51.467 39.615 42.837 L C-C-0.570224 0 51.339 38.202 45.271 L O-O--0.555129 0 50.695 37.187 45.53 L N-N--0.404773 0 52.667 38.263 45.432 L H-H-0.294276 0 53.137 39.138 45.23 L C-CT--0.027733 0 53.484 37.121 45.85 L H-H1-0.120802 0 53.36 36.324 45.114 L C-CT--0.229951 0 54.957 37.552 45.845 L H-HC-0.077428 0 55.125 38.339 46.582 L H-HC-0.077428 0 55.591 36.698 46.088 L H-HC-0.077428 0 55.234 37.927 44.859 L C-C-0.570224 0 53.063 36.534 47.211 L O-O--0.555129 0 53.052 35.314 47.368 L N-N--0.506799 0 52.676 37.382 48.172 L H-H-0.351021 0 52.687 38.37 47.952 L C-CT-0.119066 0 52.184 36.95 49.488 L H-H1-0.137761 0 52.887 36.235 49.923 L C-CT--0.122638 0 52.102 38.185 50.409 L H-H4 1024 0. 0. H-HC-0.086329 0 53.106 38.59 50.543 L H-HC-0.086329 0 51.501 38.954 49.92 L C-CC--0.001547 0 51.5 37.93 51.776 H N-NA--0.205785 0 52.177 37.748 52.956 H H-H-0.318273 0 53.19 37.714 53.06 H C-CR-0.147273 0 51.273 37.643 53.946 H H-H5-0.122182 0 51.534 37.511 54.988 H N-NB--0.601482 0 50.011 37.753 53.477 H C-CV-0.043744 0 50.17 37.949 52.091 H H-H4-0.110157 0 49.384 38.114 51.372 H C-C-0.515947 0 50.83 36.221 49.387 L O-O--0.599831 0 50.676 35.13 49.936 L N-N--0.423392 0 49.859 36.79 48.661 L H-H-0.306811 0 50.057 37.652 48.175 L C-CT-0.031633 0 48.533 36.183 48.487 L H-H1-0.065100 0 48.115 35.966 49.471 L C-CT-0.074772 0 47.586 37.153 47.757 L H-HC 1041 0. 0. H-HC--0.003535 0 47.997 37.378 46.772 L H-HC--0.003535 0 46.628 36.658 47.606 L C-CT--0.033909 0 47.331 38.481 48.49 H H-HC--0.004135 0 48.254 39.064 48.501 H H-HC--0.004135 0 46.59 39.042 47.922 H C-C-0.765188 0 46.824 38.313 49.925 H O-O2--0.824035 0 47.277 39.065 50.818 H O-O2--0.824035 0 46.048 37.375 50.213 H C-C-0.469735 0 48.627 34.846 47.734 L O-O--0.592528 0 48.068 33.84 48.175 L N-N--0.371290 0 49.417 34.793 46.655 L H-H-0.234053 0 49.859 35.644 46.322 L C-CT--0.030057 0 49.7 33.548 45.939 L H-H1-0.102448 0 48.751 33.101 45.643 L C-CT--0.098720 0 50.508 33.837 44.661 L H-HC-0.060989 0 51.323 34.521 44.9 L H-HC-0.060989 0 50.96 32.895 44.347 L C-CA-0.021313 0 49.747 34.381 43.454 L C-CA--0.083109 0 48.482 35. 43.562 L H-HA-0.098466 0 47.994 35.112 44.518 L C-CA--0.156974 0 47.817 35.47 42.415 L H-HA-0.123731 0 46.842 35.926 42.51 L C-CA--0.099824 0 48.41 35.333 41.149 L H-HA-0.114679 0 47.893 35.682 40.267 L C-CA--0.156974 0 49.67 34.724 41.033 L H-HA-0.123731 0 50.124 34.604 40.058 L C-CA--0.083109 0 50.33 34.243 42.178 L H-HA-0.098466 0 51.289 33.759 42.072 L C-C-0.547987 0 50.405 32.516 46.839 L O-O--0.506795 0 50.19 31.321 46.657 L N-N--0.374282 0 51.167 32.949 47.853 L H-H-0.253981 0 51.307 33.947 47.955 L C-CT--0.128844 0 51.741 32.07 48.878 L H-HC-0.088859 0 52.31 31.273 48.398 L H-HC-0.088859 0 52.398 32.653 49.524 L C-C-0.580584 0 50.666 31.423 49.749 L O-O--0.509157 0 50.701 30.213 49.971 L N-N--0.506799 0 49.657 32.183 50.182 L H-H-0.351021 0 49.665 33.173 49.945 L C-CT-0.119066 0 48.481 31.6 50.843 L H-H1-0.137761 0 48.823 31.027 51.704 L C-CT--0.122638 0 47.532 32.693 51.348 L H-H4 1083 0. 0. H-HC-0.086329 0 47.312 33.403 50.551 L H-HC-0.086329 0 46.586 32.232 51.638 L C-CC--0.001547 0 48.07 33.428 52.543 H N-NA--0.205785 0 47.943 33.047 53.856 H H-H-0.318273 0 47.409 32.258 54.22 H C-CR-0.147273 0 48.518 33.985 54.618 H H-H5-0.122182 0 48.526 33.964 55.7 H N-NB--0.601482 0 48.973 35.003 53.864 H C-CV-0.043744 0 48.736 34.621 52.536 H H-H4-0.110157 0 48.975 35.199 51.654 H C-C-0.515947 0 47.732 30.604 49.94 L O-O--0.599831 0 47.34 29.534 50.419 L N-N--0.404773 0 47.6 30.914 48.644 L H-H-0.294276 0 47.896 31.839 48.341 L C-CT--0.027733 0 47.019 30.022 47.637 L H-H1-0.120802 0 46.051 29.68 48.011 L C-CT--0.229951 0 46.776 30.822 46.35 L H-HC-0.077428 0 46.235 30.207 45.63 L H-HC-0.077428 0 46.184 31.714 46.566 L H-HC-0.077428 0 47.723 31.117 45.904 L C-C-0.570224 0 47.853 28.754 47.36 L O-O--0.555129 0 47.294 27.757 46.908 L N-N--0.394918 0 49.163 28.734 47.651 L H-H-0.280537 0 49.611 29.606 47.908 L C-CT--0.087681 0 49.957 27.49 47.658 L H-H1-0.123080 0 49.746 26.93 46.747 L C-CT-0.019227 0 51.474 27.767 47.703 L H-HC-0.048840 0 51.716 28.325 48.606 L H-HC-0.048840 0 51.987 26.808 47.77 L C-CT--0.208167 0 52.067 28.509 46.497 L H-H1-0.124228 0 51.705 29.533 46.484 L H-H1-0.124228 0 53.146 28.57 46.649 L S-S--0.211958 0 51.789 27.762 44.869 L C-CT--0.284698 0 50.369 28.749 44.329 L H-H1-0.128394 0 49.516 28.569 44.981 L H-H1-0.128394 0 50.625 29.809 44.362 L H-H1-0.128394 0 50.1 28.477 43.31 L C-C-0.599684 0 49.592 26.566 48.833 L O-O--0.566424 0 49.851 25.366 48.754 L N-N--0.374282 0 49.007 27.109 49.911 L H-H-0.253981 0 48.736 28.084 49.851 L C-CT--0.128844 0 48.717 26.404 51.169 L H-HC-0.088859 0 47.655 26.496 51.384 L H-HC-0.088859 0 48.971 25.35 51.074 L C-C-0.580584 0 49.445 26.953 52.399 L O-O--0.509157 0 49.243 26.433 53.498 L N-N--0.355153 0 50.28 27.989 52.245 L H-H-0.262417 0 50.377 28.398 51.326 L C-CT--0.101497 0 51.005 28.624 53.355 L H-H1-0.136951 0 51.426 27.844 53.993 L C-CT--0.144399 0 52.152 29.504 52.807 L H-HC-0.052533 0 51.714 30.36 52.296 L H-HC-0.052533 0 52.724 29.895 53.651 L C-CT-0.191982 0 53.135 28.807 51.847 L H-HC-0.000825 0 52.589 28.392 51. L C-CT--0.123036 0 54.15 29.822 51.304 L H-HC-0.022376 0 53.63 30.616 50.77 L H-HC-0.022376 0 54.724 30.258 52.123 L H-HC-0.022376 0 54.833 29.326 50.613 L C-CT--0.123036 0 53.887 27.672 52.546 L H-HC-0.022376 0 54.468 28.066 53.381 L H-HC-0.022376 0 53.191 26.922 52.917 L H-HC-0.022376 0 54.554 27.197 51.832 L C-C-0.573471 0 50.078 29.476 54.235 L O-O--0.557847 0 48.978 29.855 53.825 L N-N--0.423392 0 50.567 29.85 55.415 L H-H-0.306811 0 51.442 29.439 55.722 L C-CT-0.031633 0 49.955 30.841 56.297 L H-H1-0.065100 0 49.34 31.493 55.682 L C-CT-0.074772 0 49.064 30.14 57.345 L H-HC--0.003535 0 49.413 29.12 57.515 L H-HC--0.003535 0 49.138 30.66 58.295 L C-CT--0.033909 0 47.582 30.111 56.946 L H-HC--0.004135 0 47.458 29.451 56.086 L H-HC--0.004135 0 47.002 29.704 57.773 L C-C-0.765188 0 47.038 31.5 56.608 L O-O2--0.824035 0 47.399 32.489 57.292 L O-O2--0.824035 0 46.302 31.625 55.601 L C-C-0.469735 0 50.996 31.775 56.939 L O-O--0.592528 0 52.202 31.627 56.729 L N-N--0.506799 0 50.521 32.794 57.663 L H-H-0.351021 0 49.518 32.845 57.815 L C-CT-0.119066 0 51.349 33.906 58.141 L H-H1-0.137761 0 51.788 34.361 57.259 L C-CT--0.122638 0 50.476 34.958 58.852 L H-H4 1168 0. 0. H-HC-0.086329 0 49.855 34.464 59.6 L H-HC-0.086329 0 51.129 35.651 59.385 L C-CC--0.001547 0 49.607 35.795 57.944 H N-NA--0.205785 0 48.463 36.469 58.306 H H-H-0.318273 0 47.999 36.451 59.21 H C-CR-0.147273 0 48.039 37.164 57.241 H H-H5-0.122182 0 47.152 37.786 57.243 H N-NB--0.601482 0 48.838 36.957 56.171 H C-CV-0.043744 0 49.855 36.112 56.634 H H-H4-0.110157 0 50.692 35.76 56.048 H C-C-0.515947 0 52.546 33.516 59.031 L O-O--0.599831 0 52.499 32.575 59.827 L N-N--0.541430 0 53.594 34.335 58.959 L H-H-0.345415 0 53.504 35.155 58.366 L C-CT-0.118140 0 54.828 34.248 59.749 L H-H1-0.142177 0 54.796 33.385 60.415 L C-CT-0.146998 0 56.015 34.059 58.784 L H-H1-0.040081 0 55.842 33.156 58.198 L H-H1-0.040081 0 56.066 34.909 58.102 L O-OH--0.640312 0 57.259 33.935 59.451 L H-HO-0.446255 0 57.899 33.509 58.838 L C-C-0.483424 0 54.987 35.515 60.609 L O-O--0.580829 0 54.299 36.517 60.39 L N-N--0.387353 0 55.901 35.49 61.581 L H-H-0.300605 0 56.463 34.649 61.69 L C-CT-0.037470 0 56.188 36.606 62.49 L H-H1-0.152255 0 55.569 37.464 62.222 L C-CT--0.032112 0 55.843 36.188 63.934 L H-HC-0.030995 0 56.338 35.244 64.168 L H-HC-0.030995 0 56.209 36.946 64.627 L C-CT--0.020264 0 54.328 36.044 64.157 L H-HC-0.030791 0 53.853 37.009 63.984 L H-HC-0.030791 0 53.922 35.329 63.441 L C-C-0.667812 0 53.966 35.57 65.566 L O-O--0.628483 0 54.729 35.677 66.522 L N-N--0.883393 0 52.787 35.022 65.767 L H-H-0.408312 0 52.643 34.558 66.66 L H-H-0.408312 0 52.137 34.876 65. L C-C-0.418577 0 57.646 37.085 62.353 L O-O--0.565310 0 58.118 37.895 63.155 L N-N--0.558201 -1 58.367 36.587 61.346 L H-H-0.319676 -1 57.922 35.909 60.739 L C-CT-0.007225 -1 59.72 36.994 60.967 L H-H1-0.082375 -1 60.375 36.774 61.808 L C-CT--0.047555 -1 60.136 36.106 59.787 L H-HC--0.014836 -1 59.949 35.059 60.034 L H-HC--0.014836 -1 59.522 36.364 58.924 L C-C-0.745168 -1 61.61 36.269 59.433 L O-O2--0.730385 -1 61.926 37.172 58.627 L O-O2--0.730385 -1 62.44 35.52 60.005 L C-C-0.443199 -1 59.809 38.497 60.581 L O-O--0.501445 -1 58.853 39.029 60.009 L N-N--0.088116 -1 60.931 39.196 60.857 L C-CT--0.011906 -1 62.049 38.731 61.662 L H-H1-0.043951 -1 62.72 38.16 61.024 L H-H1-0.043950 -1 61.731 38.142 62.522 L C-CT-0.013059 -1 62.769 39.98 62.145 L H-HC-0.019574 -1 63.823 39.783 62.332 L H-HC-0.019574 -1 62.283 40.366 63.039 L C-CT--0.003351 -1 62.557 40.944 60.987 L H-HC-0.019352 -1 63.292 40.734 60.21 L H-HC-0.019352 -1 62.625 41.985 61.304 L C-CT--0.034577 -1 61.153 40.596 60.481 L H-H1-0.059977 -1 60.425 41.206 61.017 L C-C-0.333720 -1 61.068 40.938 58.986 L O-O--0.434559 -1 60.887 42.115 58.672 L N-N--0.374282 -1 61.219 39.975 58.063 L H-H-0.253981 -1 61.41 39.026 58.375 L C-CT--0.128844 -1 61.266 40.262 56.618 L H-HC-0.088859 -1 60.692 41.163 56.401 L H-HC-0.088859 -1 62.305 40.465 56.358 L C-C-0.580584 -1 60.777 39.166 55.668 L O-O--0.509157 -1 60.574 39.454 54.485 L N-N--0.404773 0 60.594 37.926 56.128 L H-H-0.294276 0 60.848 37.721 57.088 L C-CT--0.027733 0 60.099 36.825 55.294 L H-H1-0.120802 0 60.798 36.688 54.466 L C-CT--0.229951 0 60.113 35.549 56.135 L H-HC-0.077428 0 61.065 35.455 56.658 L H-HC-0.077428 0 59.292 35.559 56.852 L H-HC-0.077428 0 60.005 34.688 55.483 L C-C-0.570224 0 58.708 37.117 54.687 L O-O--0.555129 0 57.891 37.823 55.283 L N-N--0.355153 0 58.429 36.578 53.498 L H-H-0.262417 0 59.065 35.864 53.151 L C-CT--0.101497 0 57.255 36.881 52.666 L H-H1-0.136951 0 57.293 37.938 52.397 L C-CT--0.144399 0 57.365 36.033 51.38 L H-HC-0.052533 0 58.315 36.267 50.895 L H-HC-0.052533 0 57.388 34.981 51.665 L C-CT-0.191982 0 56.231 36.208 50.349 L H-HC-0.000825 0 55.289 35.879 50.79 L C-CT--0.123036 0 56.074 37.665 49.895 L H-HC-0.022376 0 55.694 38.27 50.716 L H-HC-0.022376 0 57.036 38.063 49.574 L H-HC-0.022376 0 55.366 37.727 49.07 L C-CT--0.123036 0 56.521 35.314 49.138 L H-HC-0.022376 0 56.607 34.276 49.46 L H-HC-0.022376 0 55.71 35.391 48.414 L H-HC-0.022376 0 57.455 35.612 48.662 L C-C-0.573471 0 55.911 36.658 53.373 L O-O--0.557847 0 54.969 37.415 53.137 L N-N--0.394918 0 55.795 35.656 54.25 L H-H-0.280537 0 56.587 35.039 54.402 L C-CT--0.087681 0 54.53 35.373 54.943 L H-H1-0.123080 0 53.718 35.578 54.246 L C-CT-0.019227 0 54.42 33.884 55.303 L H-HC-0.048840 0 55.187 33.621 56.028 L H-HC-0.048840 0 53.451 33.708 55.767 L C-CT--0.208167 0 54.541 32.96 54.079 L H-H1-0.124228 0 55.571 32.997 53.719 L H-H1-0.124228 0 54.357 31.936 54.406 L S-S--0.211958 0 53.45 33.31 52.669 L C-CT--0.284698 0 51.833 33.121 53.458 L H-H1-0.128394 0 51.79 32.179 54.002 L H-H1-0.128394 0 51.655 33.946 54.146 L H-H1-0.128394 0 51.058 33.133 52.692 L C-C-0.599684 0 54.264 36.292 56.148 L O-O--0.566424 0 53.183 36.21 56.73 L N-N--0.404773 0 55.181 37.191 56.525 L H-H-0.294276 0 56.059 37.232 56.016 L C-CT--0.027733 0 54.86 38.327 57.395 L H-H1-0.120802 0 54.156 38.003 58.162 L C-CT--0.229951 0 56.136 38.778 58.118 L H-HC-0.077428 0 56.535 37.956 58.715 L H-HC-0.077428 0 56.896 39.101 57.408 L H-HC-0.077428 0 55.902 39.609 58.785 L C-C-0.570224 0 54.236 39.455 56.533 L O-O--0.555129 0 54.905 39.932 55.612 L N-N--0.088116 0 52.976 39.88 56.77 L C-CT--0.011906 0 52.156 39.488 57.91 L H-H1-0.043951 0 52.652 39.738 58.848 L H-H1-0.043950 0 51.948 38.418 57.864 L C-CT-0.013059 0 50.847 40.263 57.788 L H-HC-0.019574 0 50.946 41.239 58.267 L H-HC-0.019574 0 50.006 39.708 58.205 L C-CT--0.003351 0 50.722 40.438 56.278 L H-HC-0.019352 0 50.037 41.242 56.018 L H-HC-0.019352 0 50.365 39.506 55.842 L C-CT--0.034577 0 52.175 40.691 55.838 L H-H1-0.059977 0 52.307 40.307 54.826 L C-C-0.333720 0 52.546 42.192 55.812 L O-O--0.434559 0 51.676 43.041 55.626 L N-N--0.451047 0 53.82 42.551 56.006 L H-H-0.328831 0 54.522 41.818 56.03 L C-CT--0.101874 0 54.279 43.941 56.19 L H-H1-0.174193 0 53.414 44.6 56.261 L C-CT-0.062238 0 55.057 44.096 57.52 L H-HC-0.061662 0 55.961 43.49 57.467 L C-CT--0.129989 0 55.474 45.568 57.708 L H-HC-0.030227 0 54.591 46.2 57.81 L H-HC-0.030227 0 56.099 45.67 58.595 L H-HC-0.030227 0 56.066 45.916 56.861 L C-CT-0.022230 0 54.204 43.591 58.712 L H-HC-0.011551 0 53.239 44.098 58.701 L H-HC-0.011551 0 54.022 42.522 58.592 L C-CT--0.101251 0 54.836 43.783 60.095 L H-HC-0.023792 0 54.866 44.838 60.356 L H-HC-0.023792 0 54.235 43.265 60.842 L H-HC-0.023792 0 55.847 43.38 60.101 L C-C-0.569383 0 55.084 44.395 54.966 L O-O--0.619535 0 56.251 44.042 54.803 L N-N--0.487560 -1 54.432 45.144 54.076 L H-H-0.263521 -1 53.472 45.381 54.272 L C-CT-0.009614 -1 54.993 45.606 52.801 L H-H1-0.095501 -1 55.308 44.731 52.23 L C-CT--0.051853 -1 53.861 46.302 52.028 L H-HC-0.019145 -1 53.083 45.567 51.819 L H-HC-0.019145 -1 53.417 47.066 52.669 L C-CA-0.112601 -1 54.265 46.959 50.72 L C-CA--0.183461 -1 54.552 48.338 50.69 L H-HA-0.132715 -1 54.502 48.922 51.599 L C-CA--0.181823 -1 54.887 48.969 49.478 L H-HA-0.137303 -1 55.094 50.03 49.464 L C-C-0.206277 -1 54.94 48.218 48.285 L O-OH--0.421233 -1 55.226 48.835 47.106 L H-HO-0.329691 -1 55.355 49.792 47.218 L C-CA--0.181823 -1 54.666 46.831 48.315 L H-HA-0.137303 -1 54.708 46.253 47.404 L C-CA--0.183461 -1 54.33 46.205 49.532 L H-HA-0.132715 -1 54.111 45.145 49.551 L C-C-0.622290 -1 56.22 46.53 52.959 L O-O--0.526607 -1 56.19 47.484 53.748 L N-N--0.245382 -1 57.24 46.283 52.122 L H-H-0.255339 -1 57.142 45.481 51.514 L C-CT--0.271249 -1 58.474 47.067 51.912 L H-H1-0.163757 -1 58.307 48.114 52.164 L C-CT-0.237868 -1 59.624 46.496 52.766 L H-H1-0.044688 -1 59.874 45.497 52.401 L C-CT--0.176489 -1 60.887 47.356 52.743 L H-HC-0.060019 -1 61.634 46.922 53.409 L H-HC-0.060019 -1 61.309 47.387 51.74 L H-HC-0.060019 -1 60.656 48.366 53.079 L O-OH--0.601931 -1 59.246 46.39 54.119 L H-HO-0.405484 -1 58.946 47.266 54.425 L C-C-0.559878 -1 58.836 46.952 50.427 L O-O--0.552020 -1 58.576 45.911 49.823 L N-N--0.487560 -1 59.47 47.971 49.84 L H-H-0.263521 -1 59.672 48.798 50.386 L C-CT-0.009614 -1 59.862 47.985 48.418 L H-H1-0.095501 -1 59.797 46.971 48.018 L C-CT--0.051853 -1 58.87 48.859 47.623 L H-HC-0.019145 -1 57.907 48.349 47.589 L H-HC-0.019145 -1 58.724 49.802 48.153 L C-CA-0.112601 -1 59.319 49.172 46.202 L C-CA--0.183461 -1 59.115 48.239 45.165 L H-HA-0.132715 -1 58.57 47.326 45.358 L C-CA--0.181823 -1 59.665 48.47 43.888 L H-HA-0.137303 -1 59.535 47.742 43.101 L C-C-0.206277 -1 60.442 49.628 43.646 L O-OH--0.421233 -1 61.038 49.811 42.435 L H-HO-0.329691 -1 61.591 50.605 42.396 L C-CA--0.181823 -1 60.615 50.579 44.675 L H-HA-0.137303 -1 61.211 51.464 44.5 L C-CA--0.183461 -1 60.044 50.353 45.941 L H-HA-0.132715 -1 60.205 51.073 46.732 L C-C-0.622290 -1 61.311 48.463 48.191 L O-O--0.526607 -1 61.762 49.438 48.803 L N-N--0.371290 0 63.758 41.534 44.631 L H-H-0.234053 0 64.266 41.116 43.856 L C-CT--0.030057 0 62.891 40.654 45.424 L H-H1-0.102448 0 63.051 40.855 46.485 L C-CT--0.098720 0 61.422 40.949 45.076 L H-HC-0.060989 0 61.181 41.971 45.37 L H-HC-0.060989 0 61.293 40.882 43.994 L C-CA-0.021313 0 60.438 40.011 45.749 L C-CA--0.083109 0 60.176 40.132 47.127 L H-HA-0.098466 0 60.657 40.909 47.706 L C-CA--0.156974 0 59.288 39.242 47.756 L H-HA-0.123731 0 59.092 39.337 48.815 L C-CA--0.099824 0 58.662 38.229 47.008 L H-HA-0.114679 0 57.979 37.544 47.486 L C-CA--0.156974 0 58.926 38.102 45.634 L H-HA-0.123731 0 58.449 37.32 45.061 L C-CA--0.083109 0 59.814 38.991 45.005 L H-HA-0.098466 0 60.022 38.882 43.949 L C-C-0.547987 0 63.194 39.172 45.152 L O-O--0.506795 0 63.253 38.756 43.992 L N-N--0.300879 -1 63.313 38.375 46.224 L H-H-0.233693 -1 63.217 38.794 47.139 L C-CT--0.131381 -1 63.483 36.915 46.187 L H-H1-0.053266 -1 62.973 36.52 45.306 L C-CT-0.036707 -1 64.981 36.551 46.095 L H-HC-0.028012 -1 65.561 37.167 46.784 L H-HC-0.028012 -1 65.116 35.509 46.389 L C-CT-0.012454 -1 65.52 36.714 44.666 L H-HC-0.002964 -1 64.811 36.273 43.964 L H-HC-0.002964 -1 65.634 37.773 44.438 L C-CT-0.126329 -1 66.869 36.019 44.482 L H-H1-0.068148 -1 67.613 36.495 45.123 L H-H1-0.068148 -1 66.763 34.972 44.77 L N-N2--0.464890 -1 67.294 36.098 43.078 L H-H-0.326274 -1 66.8 36.761 42.484 L C-CA-0.565543 -1 68.213 35.363 42.472 L N-N2--0.685774 -1 68.947 34.482 43.11 L H-H-0.391052 -1 68.84 34.352 44.11 L H-H-0.391052 -1 69.633 33.949 42.588 L N-N2--0.685774 -1 68.399 35.504 41.181 L H-H-0.391052 -1 67.823 36.165 40.663 L H-H-0.391052 -1 69.076 34.933 40.698 L C-C-0.730308 -1 62.849 36.229 47.408 L O-O--0.578332 -1 62.542 36.865 48.424 L N-N--0.355153 -1 62.667 34.911 47.315 L H-H-0.262417 -1 62.977 34.455 46.46 L C-CT--0.101497 -1 62.315 34.05 48.446 L H-H1-0.136951 -1 61.504 34.512 49.009 L C-CT--0.144399 -1 61.847 32.679 47.919 L H-HC-0.052533 -1 62.674 32.221 47.371 L H-HC-0.052533 -1 61.621 32.035 48.77 L C-CT-0.191982 -1 60.609 32.726 46.993 L H-HC-0.000825 -1 60.829 33.354 46.129 L C-CT--0.123036 -1 60.3 31.316 46.477 L H-HC-0.022376 -1 60.087 30.649 47.312 L H-HC-0.022376 -1 59.438 31.344 45.809 L H-HC-0.022376 -1 61.157 30.937 45.919 L C-CT--0.123036 -1 59.366 33.292 47.7 L H-HC-0.022376 -1 59.534 34.33 47.984 L H-HC-0.022376 -1 58.511 33.258 47.024 L H-HC-0.022376 -1 59.139 32.703 48.588 L C-C-0.573471 -1 63.514 33.913 49.399 L O-O--0.557847 -1 64.674 33.942 48.983 L N-N--0.541430 -1 63.222 33.743 50.684 L H-H-0.345415 -1 62.245 33.699 50.951 L C-CT-0.118140 -1 64.2 33.706 51.778 L H-H1-0.142177 -1 65.213 33.722 51.371 L C-CT-0.146998 -1 64.024 34.962 52.647 L H-H1-0.040081 -1 64.883 35.053 53.311 L H-H1-0.040081 -1 64.006 35.838 52. L O-OH--0.640312 -1 62.838 34.92 53.434 L H-HO-0.446255 -1 62.06 34.854 52.834 L C-C-0.483424 -1 64.068 32.427 52.622 L O-O--0.580829 -1 63.182 31.607 52.378 L N-N--0.558201 -1 62.896 31.381 55.601 L H-H-0.319676 -1 63.219 32.335 55.725 L C-CT-0.007225 -1 61.577 31.028 56.163 L H-H1-0.082375 -1 61.674 30.082 56.695 L C-CT--0.047555 -1 61.19 32.108 57.188 L H-HC--0.014836 -1 61.999 32.213 57.912 L H-HC--0.014836 -1 61.085 33.058 56.671 L C-C-0.745168 -1 59.902 31.794 57.957 L O-O2--0.730385 -1 58.89 32.521 57.802 L O-O2--0.730385 -1 59.902 30.823 58.75 L C-C-0.443199 -1 60.468 30.853 55.099 L O-O--0.501445 -1 59.412 30.282 55.384 L N-N--0.558201 -1 60.701 31.323 53.869 L H-H-0.319676 -1 61.63 31.689 53.688 L C-CT-0.007225 -1 59.781 31.174 52.731 L H-H1-0.082375 -1 58.751 31.21 53.089 L C-CT--0.047555 -1 59.982 32.313 51.71 L H-HC--0.014836 -1 60.925 32.169 51.184 L H-HC--0.014836 -1 59.183 32.254 50.97 L C-C-0.745168 -1 59.969 33.713 52.323 L O-O2--0.730385 -1 59.184 33.943 53.266 L O-O2--0.730385 -1 60.755 34.58 51.858 L C-C-0.443199 -1 60.013 29.826 52.038 L O-O--0.501445 -1 59.068 29.079 51.775 L N-N--0.451047 -1 61.288 29.489 51.81 L H-H-0.328831 -1 62. 30.172 52.07 L C-CT--0.101874 -1 61.718 28.168 51.338 L H-H1-0.174193 -1 61.172 27.922 50.43 L C-CT-0.062238 -1 63.229 28.165 51.007 L H-HC-0.061662 -1 63.777 28.434 51.911 L C-CT--0.129989 -1 63.672 26.75 50.592 L H-HC-0.030227 -1 63.644 26.083 51.453 L H-HC-0.030227 -1 63.019 26.354 49.813 L H-HC-0.030227 -1 64.693 26.771 50.218 L C-CT-0.022230 -1 63.63 29.194 49.922 L H-HC-0.011551 -1 63.393 30.198 50.269 L H-HC-0.011551 -1 64.711 29.153 49.787 L C-CT--0.101251 -1 62.969 29.006 48.553 L H-HC-0.023792 -1 61.888 29.111 48.637 L H-HC-0.023792 -1 63.341 29.769 47.869 L H-HC-0.023792 -1 63.214 28.026 48.143 L C-C-0.569383 -1 61.347 27.1 52.37 L O-O--0.619535 -1 60.696 26.115 52.028 L N-N--0.435875 -1 61.66 27.319 53.651 L H-H-0.251302 -1 62.156 28.172 53.891 L C-CT--0.038773 -1 61.252 26.424 54.74 L H-H1-0.129478 -1 61.666 25.437 54.544 L C-CT--0.108273 -1 61.84 26.958 56.057 L H-HC-0.045214 -1 62.89 27.193 55.889 L H-HC-0.045214 -1 61.318 27.875 56.334 L C-CT-0.033341 -1 61.799 25.973 57.232 L H-HC-0.010208 -1 60.768 25.701 57.446 L H-HC-0.010208 -1 62.36 25.075 56.972 L C-CT--0.047841 -1 62.436 26.638 58.463 L H-HC-0.070715 -1 63.416 27.031 58.186 L H-HC-0.070715 -1 61.805 27.47 58.778 L C-CT--0.069974 -1 62.611 25.662 59.632 L H-HP-0.119522 -1 61.626 25.302 59.945 L H-HP-0.119522 -1 63.197 24.804 59.29 L N-N3--0.250358 -1 63.302 26.315 60.772 L H-H-0.294561 -1 63.499 25.66 61.523 L H-H-0.294561 -1 64.175 26.752 60.482 L H-H-0.294561 -1 62.726 27.052 61.161 L C-C-0.725129 -1 59.727 26.252 54.786 L O-O--0.563157 -1 59.248 25.13 54.968 L N-N--0.374282 -1 58.966 27.318 54.506 L H-H-0.253981 -1 59.431 28.207 54.365 L C-CT--0.128844 -1 57.508 27.277 54.421 L H-HC-0.088859 -1 57.121 26.845 55.341 L H-HC-0.088859 -1 57.12 28.288 54.292 L C-C-0.580584 -1 57.002 26.408 53.273 L O-O--0.509157 -1 56.211 25.496 53.515 L N-N--0.451047 -1 57.452 26.641 52.036 L H-H-0.328831 -1 58.117 27.403 51.899 L C-CT--0.101874 -1 56.988 25.859 50.869 L H-H1-0.174193 -1 55.909 25.756 50.96 L C-CT-0.062238 -1 57.274 26.621 49.553 L H-HC-0.061662 -1 57.023 27.669 49.724 L C-CT--0.129989 -1 58.756 26.567 49.156 L H-HC-0.030227 -1 59.043 25.558 48.859 L H-HC-0.030227 -1 58.939 27.247 48.325 L H-HC-0.030227 -1 59.365 26.884 49.994 L C-CT-0.022230 -1 56.425 26.139 48.357 L H-HC-0.011551 -1 56.748 26.678 47.465 L H-HC-0.011551 -1 56.595 25.076 48.187 L C-CT--0.101251 -1 54.921 26.391 48.522 L H-HC-0.023792 -1 54.742 27.438 48.771 L H-HC-0.023792 -1 54.416 26.163 47.584 L H-HC-0.023792 -1 54.508 25.752 49.302 L C-C-0.569383 -1 57.5 24.412 50.875 L O-O--0.619535 -1 56.766 23.511 50.465 L N-N--0.423392 -1 57.482 22.552 53.444 L H-H-0.306811 -1 57.406 23.563 53.463 L C-CT-0.031633 -1 56.491 21.763 54.202 L H-H1-0.065100 -1 57.013 20.984 54.761 L C-CT-0.074772 -1 55.707 22.626 55.207 L H-HC--0.003535 -1 55.23 23.455 54.687 L H-HC--0.003535 -1 54.912 22.009 55.624 L C-CT--0.033909 -1 56.539 23.158 56.378 L H-HC--0.004135 -1 57.088 22.333 56.833 L H-HC--0.004135 -1 57.251 23.896 56.012 L C-C-0.765188 -1 55.638 23.795 57.435 L O-O2--0.824035 -1 55.597 25.045 57.537 L O-O2--0.824035 -1 54.925 23.047 58.145 L C-C-0.469735 -1 55.46 21.066 53.295 L O-O--0.592528 -1 54.835 20.085 53.715 L N-N--0.355153 -1 55.252 21.561 52.068 L H-H-0.262417 -1 55.844 22.32 51.746 L C-CT--0.101497 -1 54.108 21.198 51.228 L H-H1-0.136951 -1 53.447 20.531 51.777 L C-CT--0.144399 -1 53.308 22.469 50.868 L H-HC-0.052533 -1 53.916 23.072 50.193 L H-HC-0.052533 -1 52.417 22.155 50.321 L C-CT-0.191982 -1 52.87 23.385 52.032 L H-HC-0.000825 -1 53.759 23.816 52.496 L C-CT--0.123036 -1 52.024 24.535 51.469 L H-HC-0.022376 -1 51.131 24.139 50.982 L H-HC-0.022376 -1 51.72 25.196 52.279 L H-HC-0.022376 -1 52.603 25.107 50.745 L C-CT--0.123036 -1 52.066 22.655 53.118 L H-HC-0.022376 -1 51.786 23.36 53.902 L H-HC-0.022376 -1 51.162 22.224 52.693 L H-HC-0.022376 -1 52.668 21.869 53.567 L C-C-0.573471 -1 54.543 20.445 49.967 L O-O--0.557847 -1 53.995 19.374 49.686 L N-N--0.487560 -1 55.56 20.937 49.25 L H-H-0.263521 -1 56.014 21.786 49.576 L C-CT-0.009614 -1 55.967 20.408 47.937 L H-H1-0.095501 -1 55.599 19.387 47.835 L C-CT--0.051853 -1 55.323 21.237 46.813 L H-HC-0.019145 -1 55.924 22.134 46.651 L H-HC-0.019145 -1 55.374 20.638 45.908 L C-CA-0.112601 -1 53.877 21.655 47.016 L C-CA--0.183461 -1 52.826 20.742 46.803 L H-HA-0.132715 -1 53.043 19.736 46.472 L C-CA--0.181823 -1 51.492 21.131 47.035 L H-HA-0.137303 -1 50.686 20.429 46.88 L C-C-0.206277 -1 51.203 22.441 47.483 L O-OH--0.421233 -1 49.92 22.813 47.745 L H-HO-0.329691 -1 49.881 23.716 48.106 L C-CA--0.181823 -1 52.259 23.361 47.671 L H-HA-0.137303 -1 52.049 24.363 48.013 L C-CA--0.183461 -1 53.588 22.967 47.434 L H-HA-0.132715 -1 54.392 23.667 47.603 L C-C-0.622290 -1 57.494 20.361 47.732 L O-O--0.526607 -1 58.25 21.083 48.387 L Zn-ZN-1.620000 0 48.161 36.831 54.192 H Zn-ZN-1.620000 -1 36.711 38.653 48.359 L Ca-C0-1.620000 -1 41.91 48.877 52.392 L Ca-C0-1.620000 -1 38.556 28.654 42.483 L C-CT--0.098450 0 45.462 39.204 53.968 H H-H1-0.092900 0 45.444 38.794 52.96 H H-H1-0.092900 0 44.738 38.789 54.666 H S-S--0.196280 0 47.171 39.103 54.707 H C-CT--0.054330 0 46.041 40.482 54.199 H H-H1-0.133730 0 45.723 41.038 55.079 H C-CT--0.076300 0 46.639 41.273 53.053 H H-H1-0.081920 0 47.299 40.64 52.453 H H-H1-0.081920 0 45.846 41.643 52.404 H S-S-0.954220 0 47.551 42.694 53.592 H O-O--0.575180 0 47.906 42.539 54.979 H O-O--0.575180 0 46.798 43.856 53.21 H C-CA--0.012360 0 49.07 42.662 52.682 L H-HS 1617 0. 0. C-CA--0.115240 0 49.467 43.797 51.975 L C-CA--0.236730 0 50.663 43.797 51.261 L H-HA-0.160330 0 50.971 44.677 50.705 L H-HA-0.168040 0 48.842 44.686 51.993 L C-CA--0.115240 0 49.894 41.532 52.7 L H-HA-0.168040 0 49.604 40.647 53.265 L C-CA--0.236730 0 51.092 41.538 51.985 L H-HA-0.160330 0 51.732 40.661 51.988 L C-CA-0.301730 0 51.474 42.668 51.263 L O-OS--0.306330 0 52.637 42.693 50.53 L C-CA-0.173990 0 53.819 42.137 50.967 L C-CA--0.123640 0 54.187 42.18 52.311 L H-HA-0.150250 0 53.529 42.636 53.045 L C-CA--0.187840 0 55.416 41.661 52.711 L H-HA-0.155440 0 55.712 41.713 53.754 L C-CA--0.094220 0 56.281 41.101 51.774 L H-HA-0.134130 0 57.247 40.709 52.09 L C-CA--0.187840 0 55.911 41.055 50.431 L H-HA-0.155440 0 56.588 40.626 49.695 L C-CA--0.123640 0 54.679 41.572 50.032 L H-HA-0.150250 0 54.387 41.546 48.987 L O-OW--0.834000 -1 44.178 42.667 62.529 L H-HW-0.417000 -1 43.542 42.636 63.285 L H-HW-0.417000 -1 43.862 41.866 62.038 L O-OW--0.834000 -1 60.205 39.611 51.573 L H-HW-0.417000 -1 60.605 38.756 51.307 L H-HW-0.417000 -1 60.005 39.44 52.508 L O-OW--0.834000 0 46.499 36.087 54.876 H H-HW-0.417000 0 45.711 35.744 54.362 H H-HW-0.417000 0 46.307 35.606 55.727 H O-OW--0.834000 -1 46.101 35.86 65.43 L H-HW-0.417000 -1 45.704 34.966 65.354 L H-HW-0.417000 -1 46.995 35.603 65.77 L O-OW--0.834000 0 57.521 40.477 55.112 L H-HW-0.417000 0 56.556 40.315 55.206 L H-HW-0.417000 0 57.846 39.551 55.178 L O-OW--0.834000 -1 58.56 42.905 55.526 L H-HW-0.417000 -1 58.247 41.993 55.286 L H-HW-0.417000 -1 57.772 43.414 55.205 L O-OW--0.834000 -1 39.979 38.536 60.412 L H-HW-0.417000 -1 40.391 39.428 60.524 L H-HW-0.417000 -1 39.857 38.308 61.367 L O-OW--0.834000 -1 43.252 40.432 61.334 L H-HW-0.417000 -1 43.101 39.697 61.975 L H-HW-0.417000 -1 42.315 40.649 61.116 L O-OW--0.834000 -1 49.442 44.134 56.665 L H-HW-0.417000 -1 50.241 43.733 56.25 L H-HW-0.417000 -1 48.746 43.609 56.21 L O-OW--0.834000 0 45.257 36.838 62.997 L H-HW-0.417000 0 44.662 36.054 62.863 L H-HW-0.417000 0 45.567 36.618 63.913 L O-OW--0.834000 -1 49.918 46.856 56.591 L H-HW-0.417000 -1 49.76 45.885 56.648 L H-HW-0.417000 -1 49.039 47.161 56.313 L O-OW--0.834000 -1 60.451 43.89 49.716 L H-HW-0.417000 -1 60.983 44.226 48.955 L H-HW-0.417000 -1 59.711 44.533 49.696 L O-OW--0.834000 -1 62.707 40.328 53.087 L H-HW-0.417000 -1 62.388 41.006 52.447 L H-HW-0.417000 -1 61.861 40.112 53.535 L O-OW--0.834000 -1 46.159 45.808 61.065 L H-HW-0.417000 -1 46.393 44.849 61.122 L H-HW-0.417000 -1 46.389 45.991 60.141 L O-OW--0.834000 -1 35.641 38.524 60.055 L H-HW-0.417000 -1 36.334 38.933 59.496 L H-HW-0.417000 -1 34.941 39.216 59.99 L O-OW--0.834000 -1 61.583 42.058 51.288 L H-HW-0.417000 -1 61.119 42.732 50.72 L H-HW-0.417000 -1 60.936 41.319 51.195 L O-OW--0.834000 0 45.815 34.614 57.032 L H-HW-0.417000 0 46.484 33.9 57.229 L H-HW-0.417000 0 45.087 34.023 56.708 L O-OW--0.834000 0 44.351 34.97 53.73 L H-HW-0.417000 0 44.136 34.698 52.804 L H-HW-0.417000 0 43.654 35.664 53.85 L O-OW--0.834000 0 47.822 40.881 60.803 L H-HW-0.417000 0 48.211 40.095 61.223 L H-HW-0.417000 0 48.632 41.438 60.696 L O-OW--0.834000 -1 60.913 44.194 55.037 L H-HW-0.417000 -1 60.11 43.637 55.22 L H-HW-0.417000 -1 60.454 45.031 54.795 L O-OW--0.834000 -1 52.255 46.574 59.778 L H-HW-0.417000 -1 51.654 45.807 59.59 L H-HW-0.417000 -1 52.124 47.084 58.95 L O-OW--0.834000 0 50.243 34.709 64.376 L H-HW-0.417000 0 49.992 33.924 63.841 L H-HW-0.417000 0 49.514 34.695 65.04 L O-OW--0.834000 -1 40.617 43.658 60.167 L H-HW-0.417000 -1 40.516 44.379 59.509 L H-HW-0.417000 -1 40.716 44.179 60.99 L O-OW--0.834000 0 42.661 36.968 54.411 L H-HW-0.417000 0 42.848 36.98 55.368 L H-HW-0.417000 0 41.881 37.566 54.369 L O-OW--0.834000 -1 61.477 37.161 50.986 L H-HW-0.417000 -1 61.753 37.032 50.053 L H-HW-0.417000 -1 61.155 36.261 51.202 L O-OW--0.834000 -1 39.533 36.443 58.807 L H-HW-0.417000 -1 39.765 37.166 59.443 L H-HW-0.417000 -1 40.423 36.026 58.717 L O-OW--0.834000 -1 61.968 44.843 47.672 L H-HW-0.417000 -1 62.797 45.37 47.764 L H-HW-0.417000 -1 62.27 44.211 46.977 L O-OW--0.834000 -1 39.973 44.442 54.408 L H-HW-0.417000 -1 40.408 45.031 55.057 L H-HW-0.417000 -1 39.382 43.924 54.977 L O-OW--0.834000 0 41.816 35.041 58.37 L H-HW-0.417000 0 42.38 35.463 57.692 L H-HW-0.417000 0 41.313 34.403 57.815 L O-OW--0.834000 -1 40.79 40.291 66.806 L H-HW-0.417000 -1 41.514 40.955 66.91 L H-HW-0.417000 -1 40.792 40.218 65.82 L O-OW--0.834000 -1 37.784 37.552 57.076 L H-HW-0.417000 -1 37.722 38.402 57.553 L H-HW-0.417000 -1 38.484 37.108 57.619 L O-OW--0.834000 -1 63.894 38.388 51.698 L H-HW-0.417000 -1 63.494 39.129 52.218 L H-HW-0.417000 -1 63.07 37.9 51.467 L O-OW--0.834000 0 44.115 33.024 55.678 L H-HW-0.417000 0 44.935 32.48 55.541 L H-HW-0.417000 0 44.169 33.597 54.881 L O-OW--0.834000 -1 36.343 35.292 57.731 L H-HW-0.417000 -1 36.556 34.632 57.042 L H-HW-0.417000 -1 36.79 36.085 57.362 L O-OW--0.834000 -1 54.794 47.514 60.422 L H-HW-0.417000 -1 54.025 46.924 60.267 L H-HW-0.417000 -1 55.102 47.15 61.292 L O-OW--0.834000 -1 43.729 45.373 62.278 L H-HW-0.417000 -1 44.547 45.653 61.804 L H-HW-0.417000 -1 43.926 44.411 62.374 L O-OW--0.834000 -1 62.992 43.632 53.175 L H-HW-0.417000 -1 62.441 43.172 52.505 L H-HW-0.417000 -1 62.305 43.829 53.851 L O-OW--0.834000 -1 49.163 44.342 66.403 L H-HW-0.417000 -1 49.331 45.131 65.825 L H-HW-0.417000 -1 49.768 44.584 67.146 L O-OW--0.834000 0 46.022 34.212 60.49 L H-HW-0.417000 0 45.102 33.936 60.25 L H-HW-0.417000 0 45.97 35.164 60.241 L O-OW--0.834000 -1 58.273 48.845 55.103 L H-HW-0.417000 -1 58.228 49.823 55.206 L H-HW-0.417000 -1 57.365 48.66 54.793 L O-OW--0.834000 -1 39.837 41.311 53.649 L H-HW-0.417000 -1 39.088 41.679 54.18 L H-HW-0.417000 -1 40.416 42.096 53.62 L O-OW--0.834000 0 47.958 32.525 59.792 L H-HW-0.417000 0 47.214 33.104 60.099 L H-HW-0.417000 0 47.704 32.483 58.827 L O-OW--0.834000 -1 56.284 41.43 68.172 L H-HW-0.417000 -1 56.022 41.889 69.004 L H-HW-0.417000 -1 56.511 42.213 67.617 L O-OW--0.834000 -1 53.078 38.686 67.386 L H-HW-0.417000 -1 52.637 39.236 68.085 L H-HW-0.417000 -1 53.23 37.869 67.915 L O-OW--0.834000 -1 41.096 44.848 62.654 L H-HW-0.417000 -1 42.035 45.108 62.506 L H-HW-0.417000 -1 40.749 45.649 63.074 L O-OW--0.834000 -1 51.575 41.279 64.242 L H-HW-0.417000 -1 52.259 41.938 64.512 L H-HW-0.417000 -1 51.83 41.162 63.297 L O-OW--0.834000 -1 64.638 40.245 54.943 L H-HW-0.417000 -1 63.888 40.143 54.307 L H-HW-0.417000 -1 65.057 41.047 54.539 L O-OW--0.834000 -1 40.14 45.646 58.306 L H-HW-0.417000 -1 40.111 46.552 58.718 L H-HW-0.417000 -1 40.546 45.901 57.439 L O-OW--0.834000 -1 37.839 41.085 61.421 L H-HW-0.417000 -1 37.514 40.357 61.999 L H-HW-0.417000 -1 37.241 41.809 61.72 L O-OW--0.834000 -1 40.055 35.298 47.537 L H-HW-0.417000 -1 40.662 34.69 47.057 L H-HW-0.417000 -1 40.642 36.073 47.642 L O-OW--0.834000 -1 53.881 48.373 55.354 L H-HW-0.417000 -1 54.563 47.927 54.809 L H-HW-0.417000 -1 54.471 49.031 55.819 L O-OW--0.834000 -1 57.402 41.235 60.517 L H-HW-0.417000 -1 57.579 41.698 59.655 L H-HW-0.417000 -1 57.87 40.387 60.324 L O-OW--0.834000 -1 40.601 41.107 60.905 L H-HW-0.417000 -1 39.674 41.192 61.236 L H-HW-0.417000 -1 40.7 42.031 60.54 L O-OW--0.834000 -1 49.619 41.418 69.335 L H-HW-0.417000 -1 49.137 40.738 68.802 L H-HW-0.417000 -1 50.523 41.031 69.293 L O-OW--0.834000 -1 46.587 43.2 61.487 L H-HW-0.417000 -1 46.908 42.324 61.176 L H-HW-0.417000 -1 45.724 42.926 61.884 L O-OW--0.834000 -1 57.699 33.347 55.364 L H-HW-0.417000 -1 58.343 33.198 56.084 L H-HW-0.417000 -1 58.317 33.511 54.609 L O-OW--0.834000 -1 62.492 38.607 41.32 L H-HW-0.417000 -1 62.883 37.772 40.985 L H-HW-0.417000 -1 62.811 38.594 42.245 L O-OW--0.834000 -1 50.544 44.566 59.172 L H-HW-0.417000 -1 50.331 43.756 59.676 L H-HW-0.417000 -1 50.067 44.388 58.334 L O-OW--0.834000 0 46.693 28.708 52.999 L H-HW-0.417000 0 47.53 29.091 53.356 L H-HW-0.417000 0 46.807 28.937 52.049 L O-OW--0.834000 0 52.223 38.175 60.904 L H-HW-0.417000 0 51.844 37.633 61.642 L H-HW-0.417000 0 53.005 37.615 60.689 L O-OW--0.834000 -1 35.858 38.186 52.196 L H-HW-0.417000 -1 35.875 37.217 52.374 L H-HW-0.417000 -1 36.541 38.476 52.838 L O-OW--0.834000 -1 54.897 40.6 61.464 L H-HW-0.417000 -1 55.736 40.898 61.043 L H-HW-0.417000 -1 55.261 40.2 62.286 L O-OW--0.834000 0 44.806 29.686 54.753 L H-HW-0.417000 0 45.43 29.304 54.094 L H-HW-0.417000 0 45.375 30.434 55.082 L O-OW--0.834000 0 42.197 31.42 56.66 L H-HW-0.417000 0 42.906 32.017 56.315 L H-HW-0.417000 0 42.645 31.089 57.469 L O-OW--0.834000 0 52.221 40.792 61.603 L H-HW-0.417000 0 52.126 39.842 61.318 L H-HW-0.417000 0 53.211 40.855 61.503 L O-OW--0.834000 0 49.135 38.094 65.8 L H-HW-0.417000 0 48.679 37.808 64.968 L H-HW-0.417000 0 49.986 38.404 65.406 L O-OW--0.834000 -1 35.514 39.272 49.709 L H-HW-0.417000 -1 34.77 39.916 49.688 L H-HW-0.417000 -1 35.482 39.016 50.665 L O-OW--0.834000 0 42.287 30.298 54.059 L H-HW-0.417000 0 41.96 30.644 54.916 L H-HW-0.417000 0 43.206 30.054 54.323 L O-OW--0.834000 0 49.478 32.544 62.809 L H-HW-0.417000 0 48.79 32.086 63.362 L H-HW-0.417000 0 49.525 31.878 62.075 L O-OW--0.834000 -1 37.586 33.417 52.663 L H-HW-0.417000 -1 37.061 33.363 51.828 L H-HW-0.417000 -1 38.466 33.629 52.291 L O-OW--0.834000 -1 42.857 42.069 66.873 L H-HW-0.417000 -1 42.711 42.407 65.961 L H-HW-0.417000 -1 42.666 42.891 67.385 L O-OW--0.834000 0 46.205 36.914 60.357 L H-HW-0.417000 0 45.947 37.839 60.101 L H-HW-0.417000 0 45.895 36.931 61.292 L O-OW--0.834000 -1 40.436 38.627 54.3 L H-HW-0.417000 -1 40.311 39.587 54.151 L H-HW-0.417000 -1 39.501 38.327 54.279 L O-OW--0.834000 -1 52.058 48.243 57.487 L H-HW-0.417000 -1 51.299 47.729 57.104 L H-HW-0.417000 -1 52.669 48.208 56.712 L O-OW--0.834000 -1 37.478 34.459 47.976 L H-HW-0.417000 -1 37.196 35.358 48.256 L H-HW-0.417000 -1 38.433 34.645 47.79 L O-OW--0.834000 -1 37.946 42.644 55.141 L H-HW-0.417000 -1 37.599 42.376 56.022 L H-HW-0.417000 -1 37.135 43.003 54.732 L O-OW--0.834000 -1 64.311 37.76 57.66 L H-HW-0.417000 -1 64.814 37.119 58.22 L H-HW-0.417000 -1 63.397 37.56 57.987 L O-OW--0.834000 -1 51.984 47.475 62.33 L H-HW-0.417000 -1 51.182 48.008 62.118 L H-HW-0.417000 -1 52.148 47.087 61.435 L O-OW--0.834000 -1 38.793 34.382 64.426 L H-HW-0.417000 -1 39.032 33.621 65.002 L H-HW-0.417000 -1 38.943 33.979 63.545 L O-OW--0.834000 -1 36.169 33.634 50.365 L H-HW-0.417000 -1 36.645 33.71 49.508 L H-HW-0.417000 -1 35.527 34.364 50.274 L O-OW--0.834000 -1 37.909 39.77 59.059 L H-HW-0.417000 -1 37.867 40.36 59.86 L H-HW-0.417000 -1 38.698 39.235 59.332 L O-OW--0.834000 -1 58.757 32.989 66.557 L H-HW-0.417000 -1 58.146 33.695 66.879 L H-HW-0.417000 -1 58.974 33.351 65.671 L O-OW--0.834000 0 52.304 32.588 62.541 L H-HW-0.417000 0 51.336 32.715 62.613 L H-HW-0.417000 0 52.396 32.54 61.561 L O-OW--0.834000 -1 63.84 34.392 55.976 L H-HW-0.417000 -1 64.545 35.076 55.865 L H-HW-0.417000 -1 63.329 34.567 55.152 L O-OW--0.834000 -1 48.457 44.122 63.196 L H-HW-0.417000 -1 47.81 43.748 62.557 L H-HW-0.417000 -1 48.574 43.356 63.794 L O-OW--0.834000 -1 39.411 38.164 63.057 L H-HW-0.417000 -1 39.415 37.331 63.558 L H-HW-0.417000 -1 38.439 38.307 62.956 L O-OW--0.834000 -1 42.082 42.641 64.259 L H-HW-0.417000 -1 41.502 43.286 63.805 L H-HW-0.417000 -1 41.555 41.818 64.141 L O-OW--0.834000 -1 44.383 38.007 68.482 L H-HW-0.417000 -1 44.584 38.965 68.601 L H-HW-0.417000 -1 43.396 38.073 68.393 L O-OW--0.834000 -1 46.689 41.047 66.305 L H-HW-0.417000 -1 46.361 40.178 65.97 L H-HW-0.417000 -1 47.414 41.211 65.661 L O-OW--0.834000 0 47.544 34.551 62.697 L H-HW-0.417000 0 48.278 33.93 62.512 L H-HW-0.417000 0 47.011 34.432 61.875 L O-OW--0.834000 -1 39.324 32.979 61.986 L H-HW-0.417000 -1 38.681 32.23 61.951 L H-HW-0.417000 -1 39.133 33.383 61.104 L O-OW--0.834000 -1 45.99 46.442 65.886 L H-HW-0.417000 -1 46.418 46.537 65.003 L H-HW-0.417000 -1 45.996 45.463 65.969 L O-OW--0.834000 -1 38.383 32.939 55.27 L H-HW-0.417000 -1 38.185 33.026 54.31 L H-HW-0.417000 -1 37.458 32.884 55.615 L O-OW--0.834000 -1 49.861 49.045 61.481 L H-HW-0.417000 -1 50.111 50.002 61.442 L H-HW-0.417000 -1 49.545 48.917 60.57 L O-OW--0.834000 -1 39.238 26.624 61.862 L H-HW-0.417000 -1 38.523 27.299 61.777 L H-HW-0.417000 -1 39.59 26.644 60.944 L O-OW--0.834000 -1 35.825 33.108 56.053 L H-HW-0.417000 -1 35.293 33.371 55.261 L H-HW-0.417000 -1 35.103 32.943 56.69 L O-OW--0.834000 0 54.228 29.778 56.349 L H-HW-0.417000 0 55.071 30.234 56.138 L H-HW-0.417000 0 53.653 30.547 56.547 L O-OW--0.834000 0 43.758 36.517 57.045 L H-HW-0.417000 0 44.524 35.905 57.087 L H-HW-0.417000 0 44.019 37.188 57.692 L O-OW--0.834000 -1 39.36 26.608 50.547 L H-HW-0.417000 -1 38.976 25.969 49.904 L H-HW-0.417000 -1 40.234 26.766 50.133 L O-OW--0.834000 -1 47.68 33.09 68.492 L H-HW-0.417000 -1 47.047 32.459 68.918 L H-HW-0.417000 -1 48.479 32.498 68.49 L O-OW--0.834000 -1 38.728 33.87 59.45 L H-HW-0.417000 -1 39.223 33.508 58.674 L H-HW-0.417000 -1 38.841 34.832 59.265 L O-OW--0.834000 0 56.721 30.872 55.908 L H-HW-0.417000 0 56.92 31.813 55.662 L H-HW-0.417000 0 57.601 30.48 55.692 L O-OW--0.834000 -1 41.853 26.248 57.247 L H-HW-0.417000 -1 42.396 25.464 57.514 L H-HW-0.417000 -1 42.589 26.878 57.051 L O-OW--0.834000 0 45.504 39.451 59.969 L H-HW-0.417000 0 44.718 39.891 60.354 L H-HW-0.417000 0 46.195 40.117 60.151 L O-OW--0.834000 -1 59.309 29.483 63.127 L H-HW-0.417000 -1 58.436 29.31 63.558 L H-HW-0.417000 -1 59.002 30.081 62.4 L O-OW--0.834000 -1 41.677 34.122 66.286 L H-HW-0.417000 -1 42.413 33.472 66.208 L H-HW-0.417000 -1 40.913 33.493 66.238 L O-OW--0.834000 -1 51.644 38.67 65.053 L H-HW-0.417000 -1 51.674 39.618 64.777 L H-HW-0.417000 -1 52.231 38.718 65.845 L O-OW--0.834000 -1 37.754 37.85 54.352 L H-HW-0.417000 -1 37.73 37.757 55.333 L H-HW-0.417000 -1 37.301 37.012 54.1 L O-OW--0.834000 -1 41.014 40.115 64.108 L H-HW-0.417000 -1 40.325 39.516 63.725 L H-HW-0.417000 -1 41.816 39.595 63.846 L O-OW--0.834000 -1 36.314 33.787 45.211 L H-HW-0.417000 -1 36.767 33.035 44.764 L H-HW-0.417000 -1 36.731 33.738 46.094 L O-OW--0.834000 0 45.825 33.254 64.384 L H-HW-0.417000 0 46.438 33.829 63.853 L H-HW-0.417000 0 46.361 32.415 64.334 L O-OW--0.834000 -1 58.214 42.355 58.218 L H-HW-0.417000 -1 58.223 42.6 57.265 L H-HW-0.417000 -1 59.18 42.317 58.385 L O-OW--0.834000 -1 35.553 35.831 60.247 L H-HW-0.417000 -1 35.525 36.815 60.278 L H-HW-0.417000 -1 35.882 35.711 59.326 L O-OW--0.834000 -1 48.963 42.014 64.957 L H-HW-0.417000 -1 49.871 41.693 64.758 L H-HW-0.417000 -1 49.18 42.76 65.563 L O-OW--0.834000 -1 37.59 44.759 57.999 L H-HW-0.417000 -1 38.544 44.999 58.085 L H-HW-0.417000 -1 37.661 43.783 57.993 L O-OW--0.834000 -1 63.839 41.525 49.497 L H-HW-0.417000 -1 64.468 42.276 49.576 L H-HW-0.417000 -1 63.102 41.847 50.045 L O-OW--0.834000 -1 44.738 40.733 68.322 L H-HW-0.417000 -1 43.988 41.18 67.851 L H-HW-0.417000 -1 45.452 40.912 67.668 L O-OW--0.834000 -1 64.168 33.926 58.666 L H-HW-0.417000 -1 63.449 34.476 59.053 L H-HW-0.417000 -1 63.966 34.036 57.708 L O-OW--0.834000 0 48.046 37.217 63.484 L H-HW-0.417000 0 47.143 37.443 63.194 L H-HW-0.417000 0 48.072 36.265 63.24 L O-OW--0.834000 -1 43.285 48.052 62.702 L H-HW-0.417000 -1 42.379 48.121 63.069 L H-HW-0.417000 -1 43.375 47.08 62.629 L O-OW--0.834000 -1 36.872 25.329 53.257 L H-HW-0.417000 -1 36.682 25.532 54.199 L H-HW-0.417000 -1 36.869 26.239 52.883 L O-OW--0.834000 -1 42.108 36.242 64.47 L H-HW-0.417000 -1 41.811 35.629 65.178 L H-HW-0.417000 -1 42.663 35.621 63.942 L O-OW--0.834000 -1 52.99 50.424 53.485 L H-HW-0.417000 -1 53.18 49.746 54.158 L H-HW-0.417000 -1 52.132 50.771 53.807 L O-OW--0.834000 0 44.15 27.678 56.569 L H-HW-0.417000 0 44.185 28.537 56.084 L H-HW-0.417000 0 44.723 27.145 55.962 L O-OW--0.834000 -1 47.29 46.574 63.457 L H-HW-0.417000 -1 46.813 46.435 62.604 L H-HW-0.417000 -1 47.864 45.765 63.44 L O-OW--0.834000 -1 51.941 39.918 69.502 L H-HW-0.417000 -1 52.579 40.335 70.126 L H-HW-0.417000 -1 51.374 39.437 70.151 L O-OW--0.834000 0 52.461 27.777 56.436 L H-HW-0.417000 0 53.054 27.099 56.02 L H-HW-0.417000 0 53.115 28.517 56.504 L O-OW--0.834000 -1 50.113 42.399 60.945 L H-HW-0.417000 -1 50.915 41.85 61.125 L H-HW-0.417000 -1 50.157 43.019 61.694 L O-OW--0.834000 -1 59.671 39.879 64.209 L H-HW-0.417000 -1 59.238 39.251 63.585 L H-HW-0.417000 -1 59.123 39.686 65.014 L O-OW--0.834000 -1 58.375 45.712 62.249 L H-HW-0.417000 -1 58.308 44.727 62.202 L H-HW-0.417000 -1 58.969 45.787 63.035 L O-OW--0.834000 -1 58.106 42.998 62.483 L H-HW-0.417000 -1 57.848 42.392 61.744 L H-HW-0.417000 -1 57.318 42.864 63.066 L O-OW--0.834000 0 57.588 33.161 62.593 L H-HW-0.417000 0 57.892 32.445 61.99 L H-HW-0.417000 0 56.66 32.858 62.748 L O-OW--0.834000 -1 49.651 23.223 62.035 L H-HW-0.417000 -1 49.552 22.825 62.925 L H-HW-0.417000 -1 50.139 24.05 62.279 L O-OW--0.834000 -1 39.142 22.605 50.717 L H-HW-0.417000 -1 38.808 23.328 50.15 L H-HW-0.417000 -1 38.492 21.901 50.505 L O-OW--0.834000 -1 59.603 34.065 64.101 L H-HW-0.417000 -1 58.855 33.731 63.532 L H-HW-0.417000 -1 60.295 34.115 63.383 L O-OW--0.834000 -1 43.77 34.591 63.113 L H-HW-0.417000 -1 44.39 33.937 63.505 L H-HW-0.417000 -1 43.13 33.97 62.684 L O-OW--0.834000 -1 64.122 36.322 61.942 L H-HW-0.417000 -1 64.615 35.497 62.128 L H-HW-0.417000 -1 63.558 36.016 61.19 L O-OW--0.834000 -1 53.492 22.68 61.643 L H-HW-0.417000 -1 54.328 22.323 61.27 L H-HW-0.417000 -1 53.204 23.241 60.882 L O-OW--0.834000 -1 61.329 28.064 62.087 L H-HW-0.417000 -1 61.515 28.71 61.344 L H-HW-0.417000 -1 60.568 28.558 62.495 L O-OW--0.834000 -1 43.324 30.856 59.17 L H-HW-0.417000 -1 43.498 31.805 59.37 L H-HW-0.417000 -1 43.827 30.444 59.913 L O-OW--0.834000 -1 49.531 24.22 57.729 L H-HW-0.417000 -1 49.061 24.268 58.59 L H-HW-0.417000 -1 50.245 24.882 57.894 L O-OW--0.834000 -1 56.406 25.804 60.024 L H-HW-0.417000 -1 55.996 26.69 60.058 L H-HW-0.417000 -1 56.002 25.46 59.19 L O-OW--0.834000 -1 53.717 28.079 65.132 L H-HW-0.417000 -1 54.398 27.616 64.591 L H-HW-0.417000 -1 53.918 27.657 66.011 L O-OW--0.834000 0 51.216 29.313 62.642 L H-HW-0.417000 0 51.961 29.002 62.074 L H-HW-0.417000 0 50.617 29.669 61.954 L O-OW--0.834000 -1 60.339 35.871 67.766 L H-HW-0.417000 -1 59.602 35.945 67.12 L H-HW-0.417000 -1 60.951 35.3 67.24 L O-OW--0.834000 -1 56.15 27.648 57.462 L H-HW-0.417000 -1 56.006 26.67 57.431 L H-HW-0.417000 -1 55.482 27.942 56.817 L O-OW--0.834000 0 56.944 30.77 58.682 L H-HW-0.417000 0 56.609 30.65 57.763 L H-HW-0.417000 0 57.738 31.325 58.474 L O-OW--0.834000 -1 50.42 36.307 67.357 L H-HW-0.417000 -1 51.188 36.167 66.774 L H-HW-0.417000 -1 49.943 37.008 66.853 L O-OW--0.834000 -1 44.129 24.313 54.842 L H-HW-0.417000 -1 43.217 24.674 54.864 L H-HW-0.417000 -1 44.652 25.136 54.8 L O-OW--0.834000 -1 55.997 39.699 63.787 L H-HW-0.417000 -1 56.791 39.14 63.677 L H-HW-0.417000 -1 55.812 39.549 64.745 L O-OW--0.834000 -1 36.172 33.176 60.212 L H-HW-0.417000 -1 35.885 34.076 60.502 L H-HW-0.417000 -1 37.055 33.411 59.837 L O-OW--0.834000 -1 42.523 28.297 64.744 L H-HW-0.417000 -1 43.008 27.441 64.679 L H-HW-0.417000 -1 42.603 28.459 65.712 L O-OW--0.834000 -1 39.579 25.296 52.913 L H-HW-0.417000 -1 38.618 25.141 53.058 L H-HW-0.417000 -1 39.535 25.814 52.075 L O-OW--0.834000 -1 45.962 27.362 58.744 L H-HW-0.417000 -1 46.019 26.419 58.467 L H-HW-0.417000 -1 45.229 27.657 58.16 L O-OW--0.834000 -1 46.536 30.945 69.83 L H-HW-0.417000 -1 46.421 31.158 70.788 L H-HW-0.417000 -1 47.28 30.299 69.909 L O-OW--0.834000 -1 47.812 38.125 70.295 L H-HW-0.417000 -1 47.913 38.586 69.429 L H-HW-0.417000 -1 47.594 37.219 69.969 L O-OW--0.834000 -1 36.307 35.706 53.451 L H-HW-0.417000 -1 35.502 35.184 53.704 L H-HW-0.417000 -1 36.886 34.947 53.187 L O-OW--0.834000 -1 41.179 29.244 59.707 L H-HW-0.417000 -1 41.941 29.773 59.368 L H-HW-0.417000 -1 40.579 29.959 59.974 L O-OW--0.834000 -1 41.74 38.302 68.348 L H-HW-0.417000 -1 41.346 39.024 67.797 L H-HW-0.417000 -1 41.171 37.553 68.042 L O-OW--0.834000 -1 56.916 43.439 66.388 L H-HW-0.417000 -1 56.682 42.949 65.558 L H-HW-0.417000 -1 56.63 44.344 66.093 L O-OW--0.834000 -1 41.961 22.348 56.493 L H-HW-0.417000 -1 41.584 22.078 57.36 L H-HW-0.417000 -1 42.612 23.018 56.799 L O-OW--0.834000 -1 62.627 43.697 57.24 L H-HW-0.417000 -1 61.976 43.14 57.716 L H-HW-0.417000 -1 62.115 43.901 56.427 L O-OW--0.834000 0 42.99 38.476 63.234 L H-HW-0.417000 0 42.544 37.718 63.701 L H-HW-0.417000 0 43.893 38.091 63.165 L O-OW--0.834000 -1 49.589 26.561 60.443 L H-HW-0.417000 -1 50.113 26.262 61.223 L H-HW-0.417000 -1 49.04 25.76 60.298 L O-OW--0.834000 -1 54.324 26.107 55.513 L H-HW-0.417000 -1 54.885 25.778 54.786 L H-HW-0.417000 -1 54.739 25.639 56.279 L O-OW--0.834000 -1 48.072 24.296 60.102 L H-HW-0.417000 -1 48.591 23.735 60.736 L H-HW-0.417000 -1 47.304 24.501 60.699 L O-OW--0.834000 -1 51.434 26.062 58.303 L H-HW-0.417000 -1 51.013 26.641 58.968 L H-HW-0.417000 -1 51.765 26.741 57.667 L O-OW--0.834000 -1 54.328 31.904 67.247 L H-HW-0.417000 -1 55.082 32.128 67.846 L H-HW-0.417000 -1 53.711 32.631 67.513 L O-OW--0.834000 -1 43.748 32.188 65.909 L H-HW-0.417000 -1 44.177 31.572 66.544 L H-HW-0.417000 -1 44.543 32.567 65.476 L O-OW--0.834000 -1 58.323 30.335 66.695 L H-HW-0.417000 -1 59.242 30.165 66.379 L H-HW-0.417000 -1 58.337 31.325 66.672 L O-OW--0.834000 -1 63.444 32.261 62.36 L H-HW-0.417000 -1 63.852 31.523 62.872 L H-HW-0.417000 -1 63.58 31.91 61.445 L O-OW--0.834000 -1 65.402 39.367 49.675 L H-HW-0.417000 -1 64.786 40.121 49.482 L H-HW-0.417000 -1 64.87 38.927 50.384 L O-OW--0.834000 0 49.357 30.585 60.911 L H-HW-0.417000 0 48.723 29.831 60.773 L H-HW-0.417000 0 48.824 31.29 60.446 L O-OW--0.834000 -1 64.027 31.452 59.871 L H-HW-0.417000 -1 64.174 32.276 59.351 L H-HW-0.417000 -1 64.958 31.152 59.977 L O-OW--0.834000 -1 46.591 28.923 62.889 L H-HW-0.417000 -1 47.01 28.727 62.015 L H-HW-0.417000 -1 46.726 28.05 63.327 L O-OW--0.834000 -1 48.013 25.254 55.669 L H-HW-0.417000 -1 48.586 25.55 54.929 L H-HW-0.417000 -1 48.686 24.836 56.25 L O-OW--0.834000 -1 39.94 26.904 59.143 L H-HW-0.417000 -1 40.356 27.793 59.286 L H-HW-0.417000 -1 40.571 26.563 58.458 L O-OW--0.834000 -1 39.472 27.115 43.991 L H-HW-0.417000 -1 39.994 27.712 44.599 L H-HW-0.417000 -1 39.693 26.256 44.437 L O-OW--0.834000 -1 37.83 24.825 49.107 L H-HW-0.417000 -1 37.005 24.65 49.613 L H-HW-0.417000 -1 37.448 25.098 48.246 L O-OW--0.834000 -1 53.095 23.531 64.281 L H-HW-0.417000 -1 53.966 23.886 64.579 L H-HW-0.417000 -1 53.276 23.445 63.317 L O-OW--0.834000 0 51.343 36.821 63.026 L H-HW-0.417000 0 51.414 37.468 63.76 L H-HW-0.417000 0 50.848 36.102 63.473 L O-OW--0.834000 0 43.469 33.507 59.901 L H-HW-0.417000 0 42.856 34.1 59.403 L H-HW-0.417000 0 42.893 33.303 60.677 L O-OW--0.834000 -1 48.381 34.721 66.417 L H-HW-0.417000 -1 49.044 35.217 66.948 L H-HW-0.417000 -1 48.078 34.076 67.1 L O-OW--0.834000 -1 37.18 27.673 51.883 L H-HW-0.417000 -1 37.912 27.323 51.32 L H-HW-0.417000 -1 37.465 28.596 51.982 L O-OW--0.834000 0 45.794 26.527 54.725 L H-HW-0.417000 0 46.173 27.16 54.083 L H-HW-0.417000 0 46.616 26.08 55.034 L O-OW--0.834000 -1 59.407 23.333 58.182 L H-HW-0.417000 -1 58.97 22.759 58.846 L H-HW-0.417000 -1 59.331 24.205 58.637 L O-OW--0.834000 0 47.717 28.496 60.473 L H-HW-0.417000 0 47.049 28.145 59.827 L H-HW-0.417000 0 48.4 27.786 60.379 L O-OW--0.834000 0 51.703 30.012 59.576 L H-HW-0.417000 0 52.094 30.908 59.468 L H-HW-0.417000 0 50.813 30.253 59.906 L O-OW--0.834000 -1 52.12 45.368 64.14 L H-HW-0.417000 -1 51.305 45.727 64.561 L H-HW-0.417000 -1 52.239 46.043 63.433 L O-OW--0.834000 0 51.532 30.856 64.825 L H-HW-0.417000 0 51.442 30.236 64.055 L H-HW-0.417000 0 52. 31.59 64.374 L O-OW--0.834000 0 55.006 32.494 62.961 L H-HW-0.417000 0 54.99 31.781 63.648 L H-HW-0.417000 0 54.035 32.581 62.813 L O-OW--0.834000 -1 39.574 32.424 66.222 L H-HW-0.417000 -1 39.662 31.443 66.177 L H-HW-0.417000 -1 38.939 32.49 66.977 L O-OW--0.834000 -1 46.46 43.816 66.713 L H-HW-0.417000 -1 46.447 42.848 66.54 L H-HW-0.417000 -1 47.433 43.976 66.665 L O-OW--0.834000 0 58.425 31.022 61.027 L H-HW-0.417000 0 59.159 31.011 60.361 L H-HW-0.417000 0 57.67 30.877 60.409 L O-OW--0.834000 -1 52.377 27.932 68.943 L H-HW-0.417000 -1 52.527 28.418 69.777 L H-HW-0.417000 -1 52.317 28.704 68.317 L O-OW--0.834000 -1 51.802 31.832 70.017 L H-HW-0.417000 -1 52.306 31.107 70.441 L H-HW-0.417000 -1 51.408 32.256 70.818 L O-OW--0.834000 -1 60.963 32.538 68.115 L H-HW-0.417000 -1 61.506 33.102 67.51 L H-HW-0.417000 -1 60.119 32.551 67.592 L O-OW--0.834000 -1 55.403 24.451 65.376 L H-HW-0.417000 -1 55.478 25.387 65.097 L H-HW-0.417000 -1 55.379 24.559 66.352 L O-OW--0.834000 -1 55.554 39.455 66.45 L H-HW-0.417000 -1 55.725 40.184 67.097 L H-HW-0.417000 -1 54.667 39.168 66.771 L O-OW--0.834000 -1 37.521 25.916 58.377 L H-HW-0.417000 -1 38.383 26.308 58.656 L H-HW-0.417000 -1 36.999 26.05 59.191 L O-OW--0.834000 -1 58.207 38.853 66.246 L H-HW-0.417000 -1 57.257 39.01 66.456 L H-HW-0.417000 -1 58.195 37.877 66.138 L O-OW--0.834000 -1 50.265 38.778 71.322 L H-HW-0.417000 -1 49.317 38.615 71.086 L H-HW-0.417000 -1 50.631 37.895 71.065 L O-OW--0.834000 -1 45.809 38.479 66.134 L H-HW-0.417000 -1 45.988 37.56 65.821 L H-HW-0.417000 -1 45.271 38.269 66.93 L O-OW--0.834000 -1 52.665 23.776 59.282 L H-HW-0.417000 -1 53.535 23.683 58.816 L H-HW-0.417000 -1 52.395 24.659 58.941 L O-OW--0.834000 -1 43.519 24.229 57.96 L H-HW-0.417000 -1 44.466 24.345 57.711 L H-HW-0.417000 -1 43.597 24.372 58.934 L O-OW--0.834000 -1 41.846 22.934 60.879 L H-HW-0.417000 -1 42.591 23.567 60.757 L H-HW-0.417000 -1 41.387 23.34 61.629 L O-OW--0.834000 -1 63.861 28.043 63.233 L H-HW-0.417000 -1 62.916 28.14 63.004 L H-HW-0.417000 -1 64.101 28.979 63.409 L O-OW--0.834000 -1 37.044 41.994 57.632 L H-HW-0.417000 -1 36.161 41.943 58.032 L H-HW-0.417000 -1 37.465 41.193 58.018 L O-OW--0.834000 0 54.787 30.616 64.894 L H-HW-0.417000 0 54.23 29.815 65.026 L H-HW-0.417000 0 54.631 31.069 65.757 L O-OW--0.834000 0 53.233 28.38 61.005 L H-HW-0.417000 0 52.728 28.901 60.328 L H-HW-0.417000 0 54.142 28.499 60.628 L O-OW--0.834000 -1 40.245 21.617 54.582 L H-HW-0.417000 -1 40.884 21.909 55.286 L H-HW-0.417000 -1 39.404 21.853 55.038 L O-OW--0.834000 -1 58.992 28.199 58.318 L H-HW-0.417000 -1 59.28 29.129 58.415 L H-HW-0.417000 -1 58.11 28.312 57.925 L O-OW--0.834000 -1 55.685 21.62 60.207 L H-HW-0.417000 -1 55.406 22.176 59.427 L H-HW-0.417000 -1 56.662 21.779 60.144 L O-OW--0.834000 -1 47.491 31.191 64.069 L H-HW-0.417000 -1 47.996 30.819 64.833 L H-HW-0.417000 -1 47.15 30.348 63.68 L O-OW--0.834000 -1 53.402 43.172 65.032 L H-HW-0.417000 -1 52.998 43.999 64.653 L H-HW-0.417000 -1 53.385 43.424 65.984 L O-OW--0.834000 -1 37.666 36.121 66.198 L H-HW-0.417000 -1 38.02 35.506 65.51 L H-HW-0.417000 -1 36.725 36.147 65.922 L O-OW--0.834000 -1 57.779 23.439 64.502 L H-HW-0.417000 -1 56.861 23.575 64.848 L H-HW-0.417000 -1 57.717 24.029 63.707 L O-OW--0.834000 -1 60.726 29.787 65.48 L H-HW-0.417000 -1 60.777 28.847 65.768 L H-HW-0.417000 -1 60.325 29.673 64.591 L O-OW--0.834000 -1 60.53 42.42 63.636 L H-HW-0.417000 -1 60.258 41.488 63.826 L H-HW-0.417000 -1 59.719 42.713 63.15 L O-OW--0.834000 -1 63.119 30.868 66.183 L H-HW-0.417000 -1 63.462 30.02 66.536 L H-HW-0.417000 -1 62.197 30.593 65.956 L O-OW--0.834000 -1 53.607 36.408 68.898 L H-HW-0.417000 -1 54.34 36.564 69.544 L H-HW-0.417000 -1 54.134 36.084 68.132 L O-OW--0.834000 -1 57.383 37.274 68.771 L H-HW-0.417000 -1 57.751 38.145 69.037 L H-HW-0.417000 -1 56.706 37.166 69.483 L O-OW--0.834000 -1 60.565 38.568 67.593 L H-HW-0.417000 -1 60.547 37.595 67.756 L H-HW-0.417000 -1 59.654 38.689 67.238 L O-OW--0.834000 -1 52.639 33.718 68.312 L H-HW-0.417000 -1 52.277 33.051 68.944 L H-HW-0.417000 -1 52.798 34.464 68.916 L O-OW--0.834000 -1 48.273 39.478 67.969 L H-HW-0.417000 -1 47.619 40.032 67.488 L H-HW-0.417000 -1 48.581 38.914 67.214 L O-OW--0.834000 -1 58.939 36.366 65.317 L H-HW-0.417000 -1 59.194 35.51 64.894 L H-HW-0.417000 -1 58.754 36.892 64.507 L O-OW--0.834000 -1 55.942 42.436 64.074 L H-HW-0.417000 -1 55.016 42.698 64.283 L H-HW-0.417000 -1 55.818 41.474 63.927 L O-OW--0.834000 -1 61.546 34.186 62.275 L H-HW-0.417000 -1 61.807 34.583 61.416 L H-HW-0.417000 -1 62.185 33.435 62.311 L O-OW--0.834000 -1 55.65 30.448 70.202 L H-HW-0.417000 -1 55.569 30.774 71.127 L H-HW-0.417000 -1 55.804 31.309 69.742 L O-OW--0.834000 -1 61.72 34.295 66.041 L H-HW-0.417000 -1 62.42 34.814 65.572 L H-HW-0.417000 -1 61.143 34.078 65.279 L O-OW--0.834000 -1 57.075 34.888 67.533 L H-HW-0.417000 -1 57.307 35.746 67.975 L H-HW-0.417000 -1 56.248 35.181 67.075 L O-OW--0.834000 -1 53.423 20.895 57.619 L H-HW-0.417000 -1 52.536 21.264 57.834 L H-HW-0.417000 -1 53.973 21.705 57.768 L O-OW--0.834000 -1 60.485 23.018 61.37 L H-HW-0.417000 -1 60.26 22.551 62.211 L H-HW-0.417000 -1 60.344 23.949 61.66 L O-OW--0.834000 -1 57.94 29.297 69.199 L H-HW-0.417000 -1 57.953 29.664 68.286 L H-HW-0.417000 -1 57.04 29.574 69.481 L O-OW--0.834000 -1 59.042 25.719 59.405 L H-HW-0.417000 -1 58.085 25.754 59.63 L H-HW-0.417000 -1 59.142 26.622 59.011 L O-OW--0.834000 -1 57.044 29.149 64.582 L H-HW-0.417000 -1 56.242 29.729 64.58 L H-HW-0.417000 -1 57.445 29.457 65.432 L O-OW--0.834000 -1 51.071 36.552 69.962 L H-HW-0.417000 -1 50.732 36.45 69.036 L H-HW-0.417000 -1 52.038 36.539 69.765 L O-OW--0.834000 -1 57.502 25.25 62.469 L H-HW-0.417000 -1 58.451 25.399 62.248 L H-HW-0.417000 -1 57.113 25.326 61.564 L O-OW--0.834000 -1 60.213 25.553 62.393 L H-HW-0.417000 -1 60.532 26.45 62.143 L H-HW-0.417000 -1 60.525 25.533 63.332 L O-OW--0.834000 -1 52.36 30.025 67.319 L H-HW-0.417000 -1 52.035 30.241 66.416 L H-HW-0.417000 -1 53.095 30.675 67.388 L O-OW--0.834000 -1 49.583 31.187 68.598 L H-HW-0.417000 -1 50.47 31.384 68.985 L H-HW-0.417000 -1 49.322 30.432 69.178 L O-OW--0.834000 -1 61.898 29.764 60.179 L H-HW-0.417000 -1 62.666 30.344 59.967 L H-HW-0.417000 -1 61.221 30.162 59.584 L O-OW--0.834000 -1 46.223 24.882 62.047 L H-HW-0.417000 -1 46.601 25.526 62.691 L H-HW-0.417000 -1 45.775 24.274 62.687 L O-OW--0.834000 -1 56.151 32.847 69.078 L H-HW-0.417000 -1 56.536 33.564 68.517 L H-HW-0.417000 -1 56.474 33.161 69.961 L O-OW--0.834000 -1 44.468 35.431 69.475 L H-HW-0.417000 -1 44.486 36.385 69.216 L H-HW-0.417000 -1 43.744 35.115 68.909 L O-OW--0.834000 -1 47.201 35.534 69.631 L H-HW-0.417000 -1 47.403 34.67 69.198 L H-HW-0.417000 -1 46.215 35.475 69.639 L O-OW--0.834000 -1 54.329 26.768 67.359 L H-HW-0.417000 -1 53.72 27.069 68.063 L H-HW-0.417000 -1 54.749 26. 67.798 L O-OW--0.834000 -1 49.235 35.177 71.447 L H-HW-0.417000 -1 49.903 35.712 70.963 L H-HW-0.417000 -1 48.44 35.362 70.905 L O-OW--0.834000 -1 45.041 30.298 67.566 L H-HW-0.417000 -1 45.742 29.667 67.279 L H-HW-0.417000 -1 45.437 30.584 68.426 L O-OW--0.834000 -1 45.861 25.448 66.248 L H-HW-0.417000 -1 45.995 25.786 67.162 L H-HW-0.417000 -1 45.889 24.478 66.425 L O-OW--0.834000 -1 43.662 25.807 64.794 L H-HW-0.417000 -1 44.485 25.773 65.35 L H-HW-0.417000 -1 43.86 25.049 64.197 L O-OW--0.834000 -1 51.1 25.781 67.859 L H-HW-0.417000 -1 51.51 25.188 68.537 L H-HW-0.417000 -1 51.475 26.641 68.179 L O-OW--0.834000 -1 46.102 26.705 68.674 L H-HW-0.417000 -1 46.476 27.492 68.218 L H-HW-0.417000 -1 46.679 26.673 69.465 L O-OW--0.834000 -1 47.163 26.507 64.135 L H-HW-0.417000 -1 46.599 26.126 64.859 L H-HW-0.417000 -1 47.997 26.616 64.654 L O-OW--0.834000 -1 51.141 27.439 64.548 L H-HW-0.417000 -1 52.067 27.624 64.85 L H-HW-0.417000 -1 51.079 28.139 63.848 L O-OW--0.834000 -1 53.521 26.083 62.38 L H-HW-0.417000 -1 53.432 26.905 61.843 L H-HW-0.417000 -1 54.362 26.271 62.841 L O-OW--0.834000 -1 49.102 30.451 66.077 L H-HW-0.417000 -1 49.333 30.765 66.989 L H-HW-0.417000 -1 49.988 30.56 65.655 L O-OW--0.834000 -1 42.497 29.143 67.34 L H-HW-0.417000 -1 43.378 29.57 67.458 L H-HW-0.417000 -1 42.223 29.091 68.289 L O-OW--0.834000 -1 51.275 21.099 61.475 L H-HW-0.417000 -1 50.672 21.88 61.462 L H-HW-0.417000 -1 52.135 21.576 61.591 L O-OW--0.834000 -1 55.802 26.803 63.895 L H-HW-0.417000 -1 56.462 26.272 63.382 L H-HW-0.417000 -1 56.361 27.595 64.089 L O-OW--0.834000 -1 53.192 29.694 71.136 L H-HW-0.417000 -1 53.61 30.121 71.931 L H-HW-0.417000 -1 53.998 29.696 70.554 L O-OW--0.834000 -1 50.913 23.831 65.938 L H-HW-0.417000 -1 51.04 24.635 66.493 L H-HW-0.417000 -1 51.723 23.89 65.378 L O-OW--0.834000 -1 46.246 24.791 57.816 L H-HW-0.417000 -1 46.901 24.418 58.434 L H-HW-0.417000 -1 46.786 24.87 57.001 L O-OW--0.834000 -1 48.696 29.223 70.291 L H-HW-0.417000 -1 48.334 28.311 70.384 L H-HW-0.417000 -1 49.438 29.156 70.944 L O-OW--0.834000 -1 49.106 26.822 66.152 L H-HW-0.417000 -1 49.63 26.364 66.851 L H-HW-0.417000 -1 49.861 27.102 65.568 L O-OW--0.834000 -1 50.953 21.905 58.242 L H-HW-0.417000 -1 51.488 22.513 58.811 L H-HW-0.417000 -1 50.343 22.572 57.847 L O-OW--0.834000 -1 44.299 29.811 61.554 L H-HW-0.417000 -1 43.791 30.204 62.3 L H-HW-0.417000 -1 45.121 29.556 62.031 L O-OW--0.834000 -1 42.029 32.828 62.075 L H-HW-0.417000 -1 42.173 32.016 62.616 L H-HW-0.417000 -1 41.043 32.874 62.115 L O-OW--0.834000 -1 47.286 28.639 67.064 L H-HW-0.417000 -1 47.84 27.882 66.735 L H-HW-0.417000 -1 47.874 29.376 66.76 L O-OW--0.834000 0 55.639 28.611 59.849 L H-HW-0.417000 0 55.804 28.252 58.934 L H-HW-0.417000 0 56.054 29.497 59.723 L O-OW--0.834000 -1 52.511 21.066 65.077 L H-HW-0.417000 -1 53.373 20.602 64.943 L H-HW-0.417000 -1 52.781 21.974 64.79 L O-OW--0.834000 -1 39.908 27.649 64.38 L H-HW-0.417000 -1 39.748 27.354 63.457 L H-HW-0.417000 -1 40.871 27.848 64.328 L O-OW--0.834000 -1 40.202 33.183 57.212 L H-HW-0.417000 -1 39.559 33.097 56.458 L H-HW-0.417000 -1 40.819 32.452 56.961 L O-OW--0.834000 -1 50.919 25.514 62.611 L H-HW-0.417000 -1 51.904 25.557 62.467 L H-HW-0.417000 -1 50.875 26.093 63.412 L O-OW--0.834000 -1 49.895 21.785 64.506 L H-HW-0.417000 -1 50.129 22.604 65.018 L H-HW-0.417000 -1 50.771 21.325 64.58 L O-OW--0.834000 -1 43.785 24.859 60.608 L H-HW-0.417000 -1 44.664 24.934 61.042 L H-HW-0.417000 -1 43.497 25.808 60.68 L O-OW--0.834000 -1 42.663 20.563 44.795 L H-HW-0.417000 -1 42.029 19.874 45.071 L H-HW-0.417000 -1 42.201 20.938 44.015 L O-OW--0.834000 -1 49.334 19.308 44.846 L H-HW-0.417000 -1 48.986 19.577 43.972 L H-HW-0.417000 -1 48.51 19.156 45.341 L O-OW--0.834000 -1 41.585 25.1 54.667 L H-HW-0.417000 -1 41.407 25.538 55.523 L H-HW-0.417000 -1 40.761 25.325 54.178 L O-OW--0.834000 -1 43.046 27.44 60.803 L H-HW-0.417000 -1 42.29 27.933 60.422 L H-HW-0.417000 -1 43.621 28.192 61.067 L O-OW--0.834000 -1 42.83 30.775 63.682 L H-HW-0.417000 -1 43.05 31.231 64.525 L H-HW-0.417000 -1 42.649 29.868 64.033 L O-OW--0.834000 -1 36.837 38.724 62.496 L H-HW-0.417000 -1 36.063 38.48 63.064 L H-HW-0.417000 -1 36.438 38.517 61.615 L O-OW--0.834000 -1 40.275 36.122 67.667 L H-HW-0.417000 -1 40.745 35.403 67.188 L H-HW-0.417000 -1 39.414 36.105 67.199 L O-OW--0.834000 -1 33.941 32.494 51.692 L H-HW-0.417000 -1 34.826 32.555 51.267 L H-HW-0.417000 -1 33.51 33.273 51.279 L NAtoms= 2493 NQM= 51 NQMF= 0 NMic= 0 NMicF= 1709 NTot= 1760. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 14 1 1 1 12 1 12 1 1 12 AtmWgt= 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 2 1 1 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 1 1 12 1 1 12 1 1 14 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.4037610 2.7928460 Atom 21 22 23 24 25 26 27 28 29 30 IAtWgt= 1 1 12 16 14 12 1 1 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 1 1 0 0 2 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 31 32 33 34 35 36 37 38 39 40 IAtWgt= 1 12 1 1 12 1 12 16 14 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 0 1 1 0 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 41 42 43 44 45 46 47 48 49 50 IAtWgt= 12 1 12 1 1 12 1 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 51 52 53 54 55 56 57 58 59 60 IAtWgt= 1 12 1 1 14 1 1 1 12 16 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 1 0 1 1 2 1 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.4037610 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 Atom 61 62 63 64 65 66 67 68 69 70 IAtWgt= 14 1 12 1 12 1 1 12 12 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 NucSpn= 2 1 0 1 0 1 1 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 Atom 71 72 73 74 75 76 77 78 79 80 IAtWgt= 14 1 12 12 1 12 1 12 1 12 AtmWgt= 14.0030740 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 2 1 0 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 81 82 83 84 85 86 87 88 89 90 IAtWgt= 1 12 12 16 14 1 12 1 12 1 AtmWgt= 1.0078250 12.0000000 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 0 0 2 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 91 92 93 94 95 96 97 98 99 100 IAtWgt= 1 12 16 16 12 16 14 1 12 1 AtmWgt= 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 0 0 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 101 102 103 104 105 106 107 108 109 110 IAtWgt= 12 1 12 1 1 1 12 1 1 12 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 1 0 1 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 111 112 113 114 115 116 117 118 119 120 IAtWgt= 1 1 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 121 122 123 124 125 126 127 128 129 130 IAtWgt= 1 1 12 12 1 12 1 12 16 1 AtmWgt= 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 1.0078250 NucSpn= 1 1 0 0 1 0 1 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 2.7928460 Atom 131 132 133 134 135 136 137 138 139 140 IAtWgt= 12 1 12 1 12 16 14 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 141 142 143 144 145 146 147 148 149 150 IAtWgt= 12 1 12 1 1 1 12 1 1 12 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 1 0 1 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 151 152 153 154 155 156 157 158 159 160 IAtWgt= 1 1 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 161 162 163 164 165 166 167 168 169 170 IAtWgt= 1 12 1 1 1 12 1 1 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 1 0 1 1 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 171 172 173 174 175 176 177 178 179 180 IAtWgt= 16 14 1 12 1 12 1 1 1 12 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 0 2 1 0 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 181 182 183 184 185 186 187 188 189 190 IAtWgt= 16 14 1 12 1 12 1 1 12 12 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 NucSpn= 0 2 1 0 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 191 192 193 194 195 196 197 198 199 200 IAtWgt= 1 12 1 12 1 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 201 202 203 204 205 206 207 208 209 210 IAtWgt= 16 14 1 12 1 12 1 1 1 12 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 0 2 1 0 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 211 212 213 214 215 216 217 218 219 220 IAtWgt= 16 14 1 12 1 12 1 1 12 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 0 2 1 0 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 221 222 223 224 225 226 227 228 229 230 IAtWgt= 1 12 1 1 14 1 12 14 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 12.0000000 14.0030740 1.0078250 1.0078250 NucSpn= 1 0 1 1 2 1 0 2 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.4037610 2.7928460 0.0000000 0.4037610 2.7928460 2.7928460 Atom 231 232 233 234 235 236 237 238 239 240 IAtWgt= 14 1 1 12 16 14 1 12 1 12 AtmWgt= 14.0030740 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 2 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 241 242 243 244 245 246 247 248 249 250 IAtWgt= 1 1 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 251 252 253 254 255 256 257 258 259 260 IAtWgt= 1 1 12 12 1 12 1 12 1 12 AtmWgt= 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 0 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 261 262 263 264 265 266 267 268 269 270 IAtWgt= 1 12 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 271 272 273 274 275 276 277 278 279 280 IAtWgt= 1 1 12 1 1 12 16 14 1 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 1.0078250 NucSpn= 1 1 0 1 1 0 0 2 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 2.7928460 Atom 281 282 283 284 285 286 287 288 289 290 IAtWgt= 12 16 14 1 12 1 12 1 12 1 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 0 0 2 1 0 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 291 292 293 294 295 296 297 298 299 300 IAtWgt= 1 1 12 1 1 1 12 16 14 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 1 0 1 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 301 302 303 304 305 306 307 308 309 310 IAtWgt= 12 1 12 1 1 12 12 1 14 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 14.0030740 1.0078250 NucSpn= 0 1 0 1 1 0 0 1 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.4037610 2.7928460 Atom 311 312 313 314 315 316 317 318 319 320 IAtWgt= 12 12 1 12 1 12 1 12 1 12 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 321 322 323 324 325 326 327 328 329 330 IAtWgt= 12 16 14 1 12 1 12 1 1 16 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 331 332 333 334 335 336 337 338 339 340 IAtWgt= 1 12 16 14 1 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 0 2 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 341 342 343 344 345 346 347 348 349 350 IAtWgt= 1 1 1 12 1 1 1 12 16 14 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 1 1 1 0 1 1 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 Atom 351 352 353 354 355 356 357 358 359 360 IAtWgt= 1 12 1 12 1 12 1 1 1 16 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 NucSpn= 1 0 1 0 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 361 362 363 364 365 366 367 368 369 370 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 371 372 373 374 375 376 377 378 379 380 IAtWgt= 12 1 12 1 1 1 12 1 1 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 0 1 0 1 1 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 381 382 383 384 385 386 387 388 389 390 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 391 392 393 394 395 396 397 398 399 400 IAtWgt= 12 1 12 1 12 1 12 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 0 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 401 402 403 404 405 406 407 408 409 410 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 411 412 413 414 415 416 417 418 419 420 IAtWgt= 16 16 12 16 14 1 12 1 12 1 AtmWgt= 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 0 0 0 0 2 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 421 422 423 424 425 426 427 428 429 430 IAtWgt= 12 1 1 1 12 1 1 12 1 1 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 1 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 431 432 433 434 435 436 437 438 439 440 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 441 442 443 444 445 446 447 448 449 450 IAtWgt= 12 1 1 32 12 1 1 1 12 16 AtmWgt= 12.0000000 1.0078250 1.0078250 31.9720718 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 1 1 0 0 1 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 Atom 451 452 453 454 455 456 457 458 459 460 IAtWgt= 14 1 12 1 12 1 12 1 1 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 2 1 0 1 0 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 461 462 463 464 465 466 467 468 469 470 IAtWgt= 12 1 1 12 1 1 1 12 16 14 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 0 1 1 0 1 1 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 Atom 471 472 473 474 475 476 477 478 479 480 IAtWgt= 1 12 1 12 1 1 12 16 14 1 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 0 1 0 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 481 482 483 484 485 486 487 488 489 490 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 491 492 493 494 495 496 497 498 499 500 IAtWgt= 12 12 1 12 1 12 1 12 1 12 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 501 502 503 504 505 506 507 508 509 510 IAtWgt= 1 12 16 14 1 12 1 1 12 16 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 1 0 0 2 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 511 512 513 514 515 516 517 518 519 520 IAtWgt= 14 1 12 1 12 1 1 12 14 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 NucSpn= 2 1 0 1 0 1 1 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.4037610 2.7928460 Atom 521 522 523 524 525 526 527 528 529 530 IAtWgt= 12 1 14 12 1 12 16 14 1 12 AtmWgt= 12.0000000 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 0 1 2 0 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.4037610 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 531 532 533 534 535 536 537 538 539 540 IAtWgt= 1 12 1 1 12 16 16 12 16 14 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 NucSpn= 1 0 1 1 0 0 0 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 Atom 541 542 543 544 545 546 547 548 549 550 IAtWgt= 1 12 1 12 1 1 12 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 0 1 1 0 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 Atom 551 552 553 554 555 556 557 558 559 560 IAtWgt= 1 12 1 12 1 12 1 12 16 14 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 1 0 1 0 1 0 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 Atom 561 562 563 564 565 566 567 568 569 570 IAtWgt= 1 12 1 12 1 1 12 16 16 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 NucSpn= 1 0 1 0 1 1 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 Atom 571 572 573 574 575 576 577 578 579 580 IAtWgt= 16 14 1 12 1 12 1 1 12 16 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 2 1 0 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 581 582 583 584 585 586 587 588 589 590 IAtWgt= 16 12 16 14 1 12 1 1 12 16 AtmWgt= 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 0 0 2 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 591 592 593 594 595 596 597 598 599 600 IAtWgt= 14 1 12 1 12 1 1 12 1 12 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 2 1 0 1 0 1 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 Atom 601 602 603 604 605 606 607 608 609 610 IAtWgt= 1 1 1 12 1 1 1 12 16 14 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 1 1 1 0 1 1 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 Atom 611 612 613 614 615 616 617 618 619 620 IAtWgt= 1 12 1 12 1 1 12 1 12 1 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 1 0 1 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 621 622 623 624 625 626 627 628 629 630 IAtWgt= 1 1 12 1 1 1 12 16 14 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 1 0 1 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 631 632 633 634 635 636 637 638 639 640 IAtWgt= 12 1 12 1 1 1 12 16 14 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 1 0 1 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 641 642 643 644 645 646 647 648 649 650 IAtWgt= 12 1 12 1 1 12 14 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 1 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 651 652 653 654 655 656 657 658 659 660 IAtWgt= 14 12 1 12 16 14 1 12 1 12 AtmWgt= 14.0030740 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 2 0 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 661 662 663 664 665 666 667 668 669 670 IAtWgt= 1 1 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 671 672 673 674 675 676 677 678 679 680 IAtWgt= 1 1 12 12 1 12 1 12 1 12 AtmWgt= 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 0 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 681 682 683 684 685 686 687 688 689 690 IAtWgt= 1 12 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 691 692 693 694 695 696 697 698 699 700 IAtWgt= 1 1 1 12 16 14 12 1 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 0.0000000 2.7928460 2.7928460 0.0000000 Atom 701 702 703 704 705 706 707 708 709 710 IAtWgt= 1 1 12 1 1 12 1 12 16 14 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 1 1 0 1 1 0 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 Atom 711 712 713 714 715 716 717 718 719 720 IAtWgt= 1 12 1 1 12 16 14 1 12 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 721 722 723 724 725 726 727 728 729 730 IAtWgt= 12 1 12 1 1 1 16 1 12 16 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 NucSpn= 0 1 0 1 1 1 0 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 Atom 731 732 733 734 735 736 737 738 739 740 IAtWgt= 14 1 12 1 1 12 16 14 1 12 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 2 1 0 1 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 741 742 743 744 745 746 747 748 749 750 IAtWgt= 1 12 1 12 1 1 1 12 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 1 0 1 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 751 752 753 754 755 756 757 758 759 760 IAtWgt= 1 12 16 14 1 12 1 1 12 16 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 1 0 0 2 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 761 762 763 764 765 766 767 768 769 770 IAtWgt= 14 1 12 1 1 12 16 14 1 12 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 2 1 0 1 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 771 772 773 774 775 776 777 778 779 780 IAtWgt= 1 12 1 1 12 16 16 12 16 14 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 NucSpn= 1 0 1 1 0 0 0 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 Atom 781 782 783 784 785 786 787 788 789 790 IAtWgt= 1 12 1 12 1 1 16 1 12 16 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 NucSpn= 1 0 1 0 1 1 0 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 Atom 791 792 793 794 795 796 797 798 799 800 IAtWgt= 14 1 12 1 12 1 1 12 14 12 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 14.0030740 12.0000000 NucSpn= 2 1 0 1 0 1 1 0 2 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.4037610 0.0000000 Atom 801 802 803 804 805 806 807 808 809 810 IAtWgt= 1 14 1 12 1 12 16 14 1 12 AtmWgt= 1.0078250 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 1 2 1 0 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 811 812 813 814 815 816 817 818 819 820 IAtWgt= 1 12 1 1 12 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 1 0 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 821 822 823 824 825 826 827 828 829 830 IAtWgt= 1 12 1 12 1 12 16 14 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 1 0 1 0 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 831 832 833 834 835 836 837 838 839 840 IAtWgt= 1 12 1 1 12 16 16 12 16 14 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 NucSpn= 1 0 1 1 0 0 0 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 Atom 841 842 843 844 845 846 847 848 849 850 IAtWgt= 1 12 1 12 1 1 12 16 16 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 NucSpn= 1 0 1 0 1 1 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 Atom 851 852 853 854 855 856 857 858 859 860 IAtWgt= 16 14 1 12 1 12 1 1 12 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 0 2 1 0 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 861 862 863 864 865 866 867 868 869 870 IAtWgt= 1 12 16 16 12 16 14 1 12 1 AtmWgt= 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 0 0 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 871 872 873 874 875 876 877 878 879 880 IAtWgt= 12 1 1 12 12 1 14 1 12 12 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 NucSpn= 0 1 1 0 0 1 2 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.4037610 2.7928460 0.0000000 0.0000000 Atom 881 882 883 884 885 886 887 888 889 890 IAtWgt= 1 12 1 12 1 12 1 12 12 16 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 NucSpn= 1 0 1 0 1 0 1 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.0000000 Atom 891 892 893 894 895 896 897 898 899 900 IAtWgt= 14 1 12 1 12 1 1 12 12 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 NucSpn= 2 1 0 1 0 1 1 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 Atom 901 902 903 904 905 906 907 908 909 910 IAtWgt= 12 1 12 16 1 12 1 12 1 12 AtmWgt= 12.0000000 1.0078250 12.0000000 15.9949146 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 1 0 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 911 912 913 914 915 916 917 918 919 920 IAtWgt= 16 14 1 12 1 12 1 1 16 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 0 2 1 0 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 921 922 923 924 925 926 927 928 929 930 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 931 932 933 934 935 936 937 938 939 940 IAtWgt= 1 12 1 1 1 12 1 1 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 1 0 1 1 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 941 942 943 944 945 946 947 948 949 950 IAtWgt= 16 14 1 12 1 12 1 1 12 12 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 NucSpn= 0 2 1 0 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 951 952 953 954 955 956 957 958 959 960 IAtWgt= 1 12 1 12 1 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 961 962 963 964 965 966 967 968 969 970 IAtWgt= 16 14 1 12 1 12 1 1 12 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 0 2 1 0 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 971 972 973 974 975 976 977 978 979 980 IAtWgt= 12 1 1 1 12 1 1 1 12 16 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 1 1 1 0 1 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 Atom 981 982 983 984 985 986 987 988 989 990 IAtWgt= 14 1 12 1 12 1 12 1 1 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 2 1 0 1 0 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 991 992 993 994 995 996 997 998 999 1000 IAtWgt= 12 1 1 1 12 16 14 1 12 1 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 IAtWgt= 12 1 1 1 12 16 14 1 12 1 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 IAtWgt= 12 1 1 1 12 16 14 1 12 1 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 IAtWgt= 12 1 1 12 14 1 12 1 14 12 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 12.0000000 1.0078250 14.0030740 12.0000000 NucSpn= 0 1 1 0 2 1 0 1 2 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.4037610 0.0000000 Atom 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 IAtWgt= 12 1 1 12 16 16 12 16 14 1 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 1 1 0 0 0 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 IAtWgt= 12 1 12 1 1 12 12 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 1 0 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 Atom 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 IAtWgt= 12 1 12 1 12 1 12 16 14 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 1 0 1 0 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 IAtWgt= 12 1 1 12 16 14 1 12 1 12 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 IAtWgt= 1 1 12 14 1 12 1 14 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 12.0000000 1.0078250 14.0030740 12.0000000 1.0078250 NucSpn= 1 1 0 2 1 0 1 2 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.4037610 0.0000000 2.7928460 Atom 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 IAtWgt= 12 16 14 1 12 1 12 1 1 1 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 0 0 2 1 0 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 IAtWgt= 1 1 32 12 1 1 1 12 16 14 AtmWgt= 1.0078250 1.0078250 31.9720718 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 1 1 0 0 1 1 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 Atom 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 IAtWgt= 1 12 1 1 12 16 14 1 12 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 IAtWgt= 12 1 1 12 1 12 1 1 1 12 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 0 1 1 0 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 IAtWgt= 1 1 1 12 16 14 1 12 1 12 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 IAtWgt= 1 1 12 1 1 12 16 16 12 16 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 NucSpn= 1 1 0 1 1 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Atom 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 IAtWgt= 14 1 12 1 12 1 1 12 14 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 NucSpn= 2 1 0 1 0 1 1 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.4037610 2.7928460 Atom 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 IAtWgt= 12 1 14 12 1 12 16 14 1 12 AtmWgt= 12.0000000 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 0 1 2 0 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.4037610 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 IAtWgt= 1 12 1 1 16 1 12 16 14 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 0 1 1 0 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 IAtWgt= 12 1 12 1 1 12 1 1 12 16 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 1 0 1 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 IAtWgt= 14 1 1 12 16 14 1 12 1 12 AtmWgt= 14.0030740 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 2 1 1 0 0 2 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 IAtWgt= 1 1 12 16 16 12 16 14 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 NucSpn= 1 1 0 0 0 0 0 2 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 0.0000000 2.7928460 Atom 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 IAtWgt= 1 12 1 1 12 1 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 1 0 1 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 IAtWgt= 16 14 1 12 1 1 12 16 14 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 2 1 0 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 IAtWgt= 12 1 12 1 1 1 12 16 14 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 1 0 1 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 IAtWgt= 12 1 12 1 1 12 1 12 1 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 1 0 1 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 IAtWgt= 1 12 1 1 1 12 16 14 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 1 0 1 1 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 IAtWgt= 1 12 1 1 12 1 1 32 12 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 31.9720718 12.0000000 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 Atom 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 IAtWgt= 1 1 12 16 14 1 12 1 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 1 1 0 0 2 1 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 Atom 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 IAtWgt= 1 1 12 16 14 12 1 1 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 1 1 0 0 2 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 IAtWgt= 1 12 1 1 12 1 12 16 14 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 0 1 1 0 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 IAtWgt= 12 1 12 1 12 1 1 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 1 0 1 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 IAtWgt= 1 12 1 1 1 12 16 14 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 1 0 1 1 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 IAtWgt= 1 12 1 1 12 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 1 1 0 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 IAtWgt= 16 1 12 1 12 1 12 16 14 1 AtmWgt= 15.9949146 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 0 1 0 1 0 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 IAtWgt= 12 1 12 1 12 1 1 1 16 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 0 1 0 1 0 1 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 IAtWgt= 12 1 12 1 12 16 1 12 1 12 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 1 0 1 0 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 IAtWgt= 12 12 1 12 1 12 1 12 1 12 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 IAtWgt= 1 12 16 14 1 12 1 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 IAtWgt= 12 1 1 12 1 1 14 1 12 14 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 12.0000000 14.0030740 NucSpn= 0 1 1 0 1 1 2 1 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 2.0440000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.4037610 2.7928460 0.0000000 0.4037610 Atom 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 IAtWgt= 1 1 14 1 1 12 16 14 1 12 AtmWgt= 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 1 1 2 1 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.4037610 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 IAtWgt= 1 12 1 1 12 1 12 1 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 IAtWgt= 12 1 1 1 12 16 14 1 12 1 AtmWgt= 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 1 1 0 0 2 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 Atom 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 IAtWgt= 12 1 1 16 1 12 16 14 1 12 AtmWgt= 12.0000000 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 NucSpn= 0 1 1 0 1 0 0 2 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 Atom 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 IAtWgt= 1 12 1 1 12 16 16 12 16 14 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 NucSpn= 1 0 1 1 0 0 0 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 Atom 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 IAtWgt= 1 12 1 12 1 1 12 16 16 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 NucSpn= 1 0 1 0 1 1 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 Atom 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 IAtWgt= 16 14 1 12 1 12 1 12 1 1 AtmWgt= 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 2 1 0 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 IAtWgt= 1 12 1 1 12 1 1 1 12 16 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 1 0 1 1 0 1 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 Atom 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 IAtWgt= 14 1 12 1 12 1 1 12 1 1 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 2 1 0 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 IAtWgt= 12 1 1 12 1 1 14 1 1 1 AtmWgt= 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 1.0078250 NucSpn= 0 1 1 0 1 1 2 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.4037610 2.7928460 2.7928460 2.7928460 Atom 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 IAtWgt= 12 16 14 1 12 1 1 12 16 14 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 NucSpn= 0 0 2 1 0 1 1 0 0 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 Atom 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 IAtWgt= 1 12 1 12 1 12 1 1 1 12 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 NucSpn= 1 0 1 0 1 0 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 Atom 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 IAtWgt= 1 1 12 1 1 1 12 16 14 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 14.0030740 1.0078250 NucSpn= 1 1 0 1 1 1 0 0 2 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.4037610 2.7928460 Atom 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 IAtWgt= 12 1 12 1 1 12 1 1 12 16 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 0 1 0 1 1 0 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 Atom 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 IAtWgt= 16 12 16 14 1 12 1 12 1 1 AtmWgt= 15.9949146 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 0 0 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 IAtWgt= 12 1 12 1 1 1 12 1 1 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 0 1 0 1 1 1 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 Atom 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 IAtWgt= 12 16 14 1 12 1 12 1 1 12 AtmWgt= 12.0000000 15.9949146 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 NucSpn= 0 0 2 1 0 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 IAtWgt= 12 1 12 1 12 16 1 12 1 12 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 1 0 1 0 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 IAtWgt= 1 12 16 64 64 40 40 12 1 1 AtmWgt= 1.0078250 12.0000000 15.9949146 63.9291454 63.9291454 39.9625907 39.9625907 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 0 0 0 0 0 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 Atom 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 IAtWgt= 32 12 1 12 1 1 32 16 16 12 AtmWgt= 31.9720718 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 31.9720718 15.9949146 15.9949146 12.0000000 NucSpn= 0 0 1 0 1 1 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 Atom 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 IAtWgt= 12 12 1 1 12 1 12 1 12 16 AtmWgt= 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 NucSpn= 0 0 1 1 0 1 0 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 Atom 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 IAtWgt= 12 12 1 12 1 12 1 12 1 12 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 0 0 1 0 1 0 1 0 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 Atom 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 NucSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 IAtWgt= 1 1 16 1 1 16 1 1 16 1 AtmWgt= 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 0 1 1 0 1 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Atom 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 IAtWgt= 1 16 1 1 16 1 1 16 1 1 AtmWgt= 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 NucSpn= 1 0 1 1 0 1 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 Atom 2491 2492 2493 IAtWgt= 16 1 1 AtmWgt= 15.9949146 1.0078250 1.0078250 NucSpn= 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 2.7928460 Generating MM parameters. I= 1 IAn= 7 Valence= 4. JB= 1 J= 2 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 3 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 4 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 4 J= 5 IAn= 6 IBT= 1 Dist= 1.48D+00 I= 19 IAn= 7 Valence= 4. JB= 1 J= 20 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 21 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 3 J= 22 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 4 J= 16 IAn= 6 IBT= 1 Dist= 1.48D+00 I= 23 IAn= 6 Valence= 5. JB= 1 J= 24 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 25 IAn= 7 IBT=12 Dist= 1.35D+00 JB= 3 J= 5 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 25 IAn= 7 Valence= 4. JB= 1 J= 26 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 2 J= 35 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 23 IAn= 6 IBT=12 Dist= 1.35D+00 I= 37 IAn= 6 Valence= 5. JB= 1 J= 38 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 39 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 35 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 39 IAn= 7 Valence= 4. JB= 1 J= 40 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 41 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 37 IAn= 6 IBT=12 Dist= 1.34D+00 I= 55 IAn= 7 Valence= 4. JB= 1 J= 56 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 57 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 3 J= 58 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 4 J= 52 IAn= 6 IBT= 1 Dist= 1.48D+00 I= 59 IAn= 6 Valence= 5. JB= 1 J= 60 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 61 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 41 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 61 IAn= 7 Valence= 4. JB= 1 J= 62 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 63 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 59 IAn= 6 IBT=12 Dist= 1.34D+00 I= 69 IAn= 6 Valence= 5. JB= 1 J= 70 IAn= 1 IBT= 1 Dist= 1.08D+00 JB= 2 J= 71 IAn= 7 IBT=12 Dist= 1.38D+00 JB= 3 J= 68 IAn= 6 IBT= 2 Dist= 1.35D+00 I= 71 IAn= 7 Valence= 4. JB= 1 J= 72 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 73 IAn= 6 IBT=12 Dist= 1.37D+00 JB= 3 J= 69 IAn= 6 IBT=12 Dist= 1.38D+00 I= 73 IAn= 6 Valence= 5. JB= 1 J= 74 IAn= 6 IBT=12 Dist= 1.40D+00 JB= 2 J= 82 IAn= 6 IBT=12 Dist= 1.43D+00 JB= 3 J= 71 IAn= 7 IBT=12 Dist= 1.37D+00 I= 83 IAn= 6 Valence= 5. JB= 1 J= 84 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 85 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 63 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 85 IAn= 7 Valence= 4. JB= 1 J= 86 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 87 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 83 IAn= 6 IBT=12 Dist= 1.33D+00 I= 92 IAn= 6 Valence= 5. JB= 1 J= 93 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 94 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 89 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 180 IAn= 6 Valence= 5. JB= 1 J= 181 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 182 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 174 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 182 IAn= 7 Valence= 4. JB= 1 J= 183 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 184 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 180 IAn= 6 IBT=12 Dist= 1.34D+00 I= 200 IAn= 6 Valence= 5. JB= 1 J= 201 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 202 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 184 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 202 IAn= 7 Valence= 4. JB= 1 J= 203 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 204 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 200 IAn= 6 IBT=12 Dist= 1.34D+00 I= 210 IAn= 6 Valence= 5. JB= 1 J= 211 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 212 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 204 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 212 IAn= 7 Valence= 4. JB= 1 J= 213 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 214 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 210 IAn= 6 IBT=12 Dist= 1.34D+00 I= 225 IAn= 7 Valence= 4. JB= 1 J= 226 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 227 IAn= 6 IBT=12 Dist= 1.33D+00 JB= 3 J= 222 IAn= 6 IBT= 1 Dist= 1.47D+00 I= 227 IAn= 6 Valence= 6. JB= 1 J= 228 IAn= 7 IBT= 2 Dist= 1.32D+00 JB= 2 J= 231 IAn= 7 IBT= 2 Dist= 1.31D+00 JB= 3 J= 225 IAn= 7 IBT=12 Dist= 1.33D+00 I= 228 IAn= 7 Valence= 4. JB= 1 J= 229 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 230 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 227 IAn= 6 IBT= 2 Dist= 1.32D+00 I= 231 IAn= 7 Valence= 4. JB= 1 J= 232 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 233 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 3 J= 227 IAn= 6 IBT= 2 Dist= 1.31D+00 I= 234 IAn= 6 Valence= 5. JB= 1 J= 235 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 236 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 214 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 236 IAn= 7 Valence= 4. JB= 1 J= 237 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 238 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 234 IAn= 6 IBT=12 Dist= 1.34D+00 I= 244 IAn= 6 Valence= 5. JB= 1 J= 245 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 246 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 238 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 246 IAn= 7 Valence= 4. JB= 1 J= 247 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 248 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 244 IAn= 6 IBT=12 Dist= 1.34D+00 I= 264 IAn= 6 Valence= 5. JB= 1 J= 265 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 266 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 248 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 266 IAn= 7 Valence= 4. JB= 1 J= 267 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 268 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 264 IAn= 6 IBT=12 Dist= 1.34D+00 I= 276 IAn= 6 Valence= 5. JB= 1 J= 277 IAn= 8 IBT= 2 Dist= 1.22D+00 JB= 2 J= 278 IAn= 7 IBT=22 Dist= 1.31D+00 JB= 3 J= 273 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 278 IAn= 7 Valence= 4. JB= 1 J= 279 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 280 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 276 IAn= 6 IBT=22 Dist= 1.31D+00 I= 281 IAn= 6 Valence= 5. JB= 1 J= 282 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 283 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 268 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 283 IAn= 7 Valence= 4. JB= 1 J= 284 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 285 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 281 IAn= 6 IBT=12 Dist= 1.34D+00 I= 297 IAn= 6 Valence= 5. JB= 1 J= 298 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 299 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 285 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 299 IAn= 7 Valence= 4. JB= 1 J= 300 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 301 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 297 IAn= 6 IBT=12 Dist= 1.34D+00 I= 309 IAn= 7 Valence= 4. JB= 1 J= 310 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 311 IAn= 6 IBT=12 Dist= 1.38D+00 JB= 3 J= 307 IAn= 6 IBT= 1 Dist= 1.39D+00 I= 311 IAn= 6 Valence= 5. JB= 1 J= 312 IAn= 6 IBT=12 Dist= 1.40D+00 JB= 2 J= 320 IAn= 6 IBT=12 Dist= 1.43D+00 JB= 3 J= 309 IAn= 7 IBT=12 Dist= 1.38D+00 I= 321 IAn= 6 Valence= 5. JB= 1 J= 322 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 323 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 301 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 323 IAn= 7 Valence= 4. JB= 1 J= 324 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 325 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 321 IAn= 6 IBT=12 Dist= 1.34D+00 I= 348 IAn= 6 Valence= 5. JB= 1 J= 349 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 350 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 336 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 350 IAn= 7 Valence= 4. JB= 1 J= 351 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 352 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 348 IAn= 6 IBT=12 Dist= 1.34D+00 I= 410 IAn= 6 Valence= 5. JB= 1 J= 411 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 412 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 407 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 413 IAn= 6 Valence= 5. JB= 1 J= 414 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 415 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 405 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 415 IAn= 7 Valence= 4. JB= 1 J= 416 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 417 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 413 IAn= 6 IBT=12 Dist= 1.34D+00 I= 432 IAn= 6 Valence= 5. JB= 1 J= 433 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 434 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 417 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 434 IAn= 7 Valence= 4. JB= 1 J= 435 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 436 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 432 IAn= 6 IBT=12 Dist= 1.34D+00 I= 449 IAn= 6 Valence= 5. JB= 1 J= 450 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 451 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 436 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 451 IAn= 7 Valence= 4. JB= 1 J= 452 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 453 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 449 IAn= 6 IBT=12 Dist= 1.34D+00 I= 468 IAn= 6 Valence= 5. JB= 1 J= 469 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 470 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 453 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 470 IAn= 7 Valence= 4. JB= 1 J= 471 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 472 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 468 IAn= 6 IBT=12 Dist= 1.34D+00 I= 477 IAn= 6 Valence= 5. JB= 1 J= 478 IAn= 8 IBT= 2 Dist= 1.22D+00 JB= 2 J= 479 IAn= 7 IBT=22 Dist= 1.32D+00 JB= 3 J= 474 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 479 IAn= 7 Valence= 4. JB= 1 J= 480 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 481 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 477 IAn= 6 IBT=22 Dist= 1.32D+00 I= 482 IAn= 6 Valence= 5. JB= 1 J= 483 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 484 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 472 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 484 IAn= 7 Valence= 4. JB= 1 J= 485 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 486 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 482 IAn= 6 IBT=12 Dist= 1.34D+00 I= 502 IAn= 6 Valence= 5. JB= 1 J= 503 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 504 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 486 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 504 IAn= 7 Valence= 4. JB= 1 J= 505 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 506 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 502 IAn= 6 IBT=12 Dist= 1.34D+00 I= 518 IAn= 6 Valence= 5. JB= 1 J= 519 IAn= 7 IBT=12 Dist= 1.38D+00 JB= 2 J= 524 IAn= 6 IBT= 2 Dist= 1.37D+00 JB= 3 J= 515 IAn= 6 IBT= 1 Dist= 1.51D+00 I= 519 IAn= 7 Valence= 4. JB= 1 J= 520 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 521 IAn= 6 IBT=12 Dist= 1.34D+00 JB= 3 J= 518 IAn= 6 IBT=12 Dist= 1.38D+00 I= 535 IAn= 6 Valence= 5. JB= 1 J= 536 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 537 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 532 IAn= 6 IBT= 1 Dist= 1.52D+00 I= 558 IAn= 6 Valence= 5. JB= 1 J= 559 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 560 IAn= 7 IBT=12 Dist= 1.33D+00 JB= 3 J= 542 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 560 IAn= 7 Valence= 4. JB= 1 J= 561 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 562 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 558 IAn= 6 IBT=12 Dist= 1.33D+00 I= 567 IAn= 6 Valence= 5. JB= 1 J= 568 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 569 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 564 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 579 IAn= 6 Valence= 5. JB= 1 J= 580 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 581 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 576 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 582 IAn= 6 Valence= 5. JB= 1 J= 583 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 584 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 574 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 584 IAn= 7 Valence= 4. JB= 1 J= 585 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 586 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 582 IAn= 6 IBT=12 Dist= 1.34D+00 I= 589 IAn= 6 Valence= 5. JB= 1 J= 590 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 591 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 586 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 591 IAn= 7 Valence= 4. JB= 1 J= 592 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 593 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 589 IAn= 6 IBT=12 Dist= 1.34D+00 I= 608 IAn= 6 Valence= 5. JB= 1 J= 609 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 610 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 593 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 610 IAn= 7 Valence= 4. JB= 1 J= 611 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 612 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 608 IAn= 6 IBT=12 Dist= 1.34D+00 I= 627 IAn= 6 Valence= 5. JB= 1 J= 628 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 629 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 612 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 629 IAn= 7 Valence= 4. JB= 1 J= 630 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 631 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 627 IAn= 6 IBT=12 Dist= 1.34D+00 I= 637 IAn= 6 Valence= 5. JB= 1 J= 638 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 639 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 631 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 639 IAn= 7 Valence= 4. JB= 1 J= 640 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 641 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 637 IAn= 6 IBT=12 Dist= 1.34D+00 I= 646 IAn= 6 Valence= 5. JB= 1 J= 647 IAn= 7 IBT=12 Dist= 1.37D+00 JB= 2 J= 652 IAn= 6 IBT= 2 Dist= 1.37D+00 JB= 3 J= 643 IAn= 6 IBT= 1 Dist= 1.52D+00 I= 647 IAn= 7 Valence= 4. JB= 1 J= 648 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 649 IAn= 6 IBT=12 Dist= 1.34D+00 JB= 3 J= 646 IAn= 6 IBT=12 Dist= 1.37D+00 I= 654 IAn= 6 Valence= 5. JB= 1 J= 655 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 656 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 641 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 656 IAn= 7 Valence= 4. JB= 1 J= 657 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 658 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 654 IAn= 6 IBT=12 Dist= 1.33D+00 I= 664 IAn= 6 Valence= 5. JB= 1 J= 665 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 666 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 658 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 666 IAn= 7 Valence= 4. JB= 1 J= 667 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 668 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 664 IAn= 6 IBT=12 Dist= 1.34D+00 I= 684 IAn= 6 Valence= 5. JB= 1 J= 685 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 686 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 668 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 686 IAn= 7 Valence= 4. JB= 1 J= 687 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 688 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 684 IAn= 6 IBT=12 Dist= 1.34D+00 I= 694 IAn= 6 Valence= 5. JB= 1 J= 695 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 696 IAn= 7 IBT=22 Dist= 1.35D+00 JB= 3 J= 688 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 696 IAn= 7 Valence= 4. JB= 1 J= 697 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 2 J= 706 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 694 IAn= 6 IBT=12 Dist= 1.35D+00 I= 708 IAn= 6 Valence= 5. JB= 1 J= 709 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 710 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 706 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 710 IAn= 7 Valence= 4. JB= 1 J= 711 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 712 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 708 IAn= 6 IBT=12 Dist= 1.34D+00 I= 715 IAn= 6 Valence= 5. JB= 1 J= 716 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 717 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 712 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 717 IAn= 7 Valence= 4. JB= 1 J= 718 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 719 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 715 IAn= 6 IBT=12 Dist= 1.34D+00 I= 729 IAn= 6 Valence= 5. JB= 1 J= 730 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 731 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 719 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 731 IAn= 7 Valence= 4. JB= 1 J= 732 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 733 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 729 IAn= 6 IBT=12 Dist= 1.34D+00 I= 736 IAn= 6 Valence= 5. JB= 1 J= 737 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 738 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 733 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 738 IAn= 7 Valence= 4. JB= 1 J= 739 IAn= 1 IBT= 1 Dist= 1.03D+00 JB= 2 J= 740 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 736 IAn= 6 IBT=12 Dist= 1.34D+00 I= 752 IAn= 6 Valence= 5. JB= 1 J= 753 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 754 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 740 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 754 IAn= 7 Valence= 4. JB= 1 J= 755 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 756 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 752 IAn= 6 IBT=12 Dist= 1.34D+00 I= 759 IAn= 6 Valence= 5. JB= 1 J= 760 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 761 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 756 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 761 IAn= 7 Valence= 4. JB= 1 J= 762 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 763 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 759 IAn= 6 IBT=12 Dist= 1.33D+00 I= 766 IAn= 6 Valence= 5. JB= 1 J= 767 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 768 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 763 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 768 IAn= 7 Valence= 4. JB= 1 J= 769 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 770 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 766 IAn= 6 IBT=12 Dist= 1.34D+00 I= 775 IAn= 6 Valence= 5. JB= 1 J= 776 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 777 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 772 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 778 IAn= 6 Valence= 5. JB= 1 J= 779 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 780 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 770 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 780 IAn= 7 Valence= 4. JB= 1 J= 781 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 782 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 778 IAn= 6 IBT=12 Dist= 1.33D+00 I= 789 IAn= 6 Valence= 5. JB= 1 J= 790 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 791 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 782 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 791 IAn= 7 Valence= 4. JB= 1 J= 792 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 793 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 789 IAn= 6 IBT=12 Dist= 1.34D+00 I= 802 IAn= 7 Valence= 4. JB= 1 J= 803 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 804 IAn= 6 IBT=12 Dist= 1.37D+00 JB= 3 J= 800 IAn= 6 IBT=12 Dist= 1.34D+00 I= 804 IAn= 6 Valence= 5. JB= 1 J= 805 IAn= 1 IBT= 1 Dist= 1.08D+00 JB= 2 J= 798 IAn= 6 IBT= 2 Dist= 1.36D+00 JB= 3 J= 802 IAn= 7 IBT=12 Dist= 1.37D+00 I= 806 IAn= 6 Valence= 5. JB= 1 J= 807 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 808 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 793 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 808 IAn= 7 Valence= 4. JB= 1 J= 809 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 810 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 806 IAn= 6 IBT=12 Dist= 1.34D+00 I= 826 IAn= 6 Valence= 5. JB= 1 J= 827 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 828 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 810 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 828 IAn= 7 Valence= 4. JB= 1 J= 829 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 830 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 826 IAn= 6 IBT=12 Dist= 1.33D+00 I= 835 IAn= 6 Valence= 5. JB= 1 J= 836 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 837 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 832 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 838 IAn= 6 Valence= 5. JB= 1 J= 839 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 840 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 830 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 840 IAn= 7 Valence= 4. JB= 1 J= 841 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 842 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 838 IAn= 6 IBT=12 Dist= 1.33D+00 I= 847 IAn= 6 Valence= 5. JB= 1 J= 848 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 849 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 844 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 862 IAn= 6 Valence= 5. JB= 1 J= 863 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 864 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 859 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 877 IAn= 7 Valence= 4. JB= 1 J= 878 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 879 IAn= 6 IBT=12 Dist= 1.38D+00 JB= 3 J= 875 IAn= 6 IBT= 1 Dist= 1.38D+00 I= 879 IAn= 6 Valence= 5. JB= 1 J= 880 IAn= 6 IBT=12 Dist= 1.40D+00 JB= 2 J= 888 IAn= 6 IBT=12 Dist= 1.43D+00 JB= 3 J= 877 IAn= 7 IBT=12 Dist= 1.38D+00 I= 910 IAn= 6 Valence= 5. JB= 1 J= 911 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 912 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 893 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 912 IAn= 7 Valence= 4. JB= 1 J= 913 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 914 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 910 IAn= 6 IBT=12 Dist= 1.33D+00 I= 921 IAn= 6 Valence= 5. JB= 1 J= 922 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 923 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 914 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 923 IAn= 7 Valence= 4. JB= 1 J= 924 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 925 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 921 IAn= 6 IBT=12 Dist= 1.34D+00 I= 940 IAn= 6 Valence= 5. JB= 1 J= 941 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 942 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 925 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 942 IAn= 7 Valence= 4. JB= 1 J= 943 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 944 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 940 IAn= 6 IBT=12 Dist= 1.34D+00 I= 960 IAn= 6 Valence= 5. JB= 1 J= 961 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 962 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 944 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 962 IAn= 7 Valence= 4. JB= 1 J= 963 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 964 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 960 IAn= 6 IBT=12 Dist= 1.34D+00 I= 979 IAn= 6 Valence= 5. JB= 1 J= 980 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 981 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 964 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 981 IAn= 7 Valence= 4. JB= 1 J= 982 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 983 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 979 IAn= 6 IBT=12 Dist= 1.34D+00 I= 995 IAn= 6 Valence= 5. JB= 1 J= 996 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 997 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 983 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 997 IAn= 7 Valence= 4. JB= 1 J= 998 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 999 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 995 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1005 IAn= 6 Valence= 5. JB= 1 J= 1006 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1007 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 999 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1007 IAn= 7 Valence= 4. JB= 1 J= 1008 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1009 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1005 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1015 IAn= 6 Valence= 5. JB= 1 J= 1016 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1017 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1009 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1017 IAn= 7 Valence= 4. JB= 1 J= 1018 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1019 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1015 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1024 IAn= 6 Valence= 5. JB= 1 J= 1025 IAn= 7 IBT=12 Dist= 1.37D+00 JB= 2 J= 1030 IAn= 6 IBT= 2 Dist= 1.37D+00 JB= 3 J= 1021 IAn= 6 IBT= 1 Dist= 1.52D+00 I= 1025 IAn= 7 Valence= 4. JB= 1 J= 1026 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1027 IAn= 6 IBT=12 Dist= 1.34D+00 JB= 3 J= 1024 IAn= 6 IBT=12 Dist= 1.37D+00 I= 1032 IAn= 6 Valence= 5. JB= 1 J= 1033 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1034 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1019 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1034 IAn= 7 Valence= 4. JB= 1 J= 1035 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1036 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1032 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1044 IAn= 6 Valence= 5. JB= 1 J= 1045 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 1046 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 1041 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1047 IAn= 6 Valence= 5. JB= 1 J= 1048 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1049 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1036 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1049 IAn= 7 Valence= 4. JB= 1 J= 1050 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1051 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1047 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1067 IAn= 6 Valence= 5. JB= 1 J= 1068 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1069 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1051 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1069 IAn= 7 Valence= 4. JB= 1 J= 1070 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1071 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1067 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1074 IAn= 6 Valence= 5. JB= 1 J= 1075 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1076 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1071 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1076 IAn= 7 Valence= 4. JB= 1 J= 1077 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1078 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1074 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1083 IAn= 6 Valence= 5. JB= 1 J= 1084 IAn= 7 IBT=12 Dist= 1.37D+00 JB= 2 J= 1089 IAn= 6 IBT= 2 Dist= 1.37D+00 JB= 3 J= 1080 IAn= 6 IBT= 1 Dist= 1.50D+00 I= 1084 IAn= 7 Valence= 4. JB= 1 J= 1085 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1086 IAn= 6 IBT=12 Dist= 1.34D+00 JB= 3 J= 1083 IAn= 6 IBT=12 Dist= 1.37D+00 I= 1091 IAn= 6 Valence= 5. JB= 1 J= 1092 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1093 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1078 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1093 IAn= 7 Valence= 4. JB= 1 J= 1094 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1095 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1091 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1101 IAn= 6 Valence= 5. JB= 1 J= 1102 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1103 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1095 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1103 IAn= 7 Valence= 4. JB= 1 J= 1104 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1105 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 1101 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1118 IAn= 6 Valence= 5. JB= 1 J= 1119 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1120 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1105 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1120 IAn= 7 Valence= 4. JB= 1 J= 1121 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1122 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1118 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1125 IAn= 6 Valence= 5. JB= 1 J= 1126 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1127 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1122 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1127 IAn= 7 Valence= 4. JB= 1 J= 1128 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1129 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1125 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1144 IAn= 6 Valence= 5. JB= 1 J= 1145 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1146 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1129 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1146 IAn= 7 Valence= 4. JB= 1 J= 1147 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1148 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1144 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1156 IAn= 6 Valence= 5. JB= 1 J= 1157 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 2 J= 1158 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 1153 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1159 IAn= 6 Valence= 5. JB= 1 J= 1160 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1161 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1148 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1161 IAn= 7 Valence= 4. JB= 1 J= 1162 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1163 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1159 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1168 IAn= 6 Valence= 5. JB= 1 J= 1169 IAn= 7 IBT=12 Dist= 1.38D+00 JB= 2 J= 1174 IAn= 6 IBT= 2 Dist= 1.37D+00 JB= 3 J= 1165 IAn= 6 IBT= 1 Dist= 1.51D+00 I= 1169 IAn= 7 Valence= 4. JB= 1 J= 1170 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1171 IAn= 6 IBT=12 Dist= 1.34D+00 JB= 3 J= 1168 IAn= 6 IBT=12 Dist= 1.38D+00 I= 1176 IAn= 6 Valence= 5. JB= 1 J= 1177 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1178 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1163 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1178 IAn= 7 Valence= 4. JB= 1 J= 1179 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1180 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1176 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1187 IAn= 6 Valence= 5. JB= 1 J= 1188 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1189 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1180 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1189 IAn= 7 Valence= 4. JB= 1 J= 1190 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1191 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1187 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1199 IAn= 6 Valence= 5. JB= 1 J= 1200 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1201 IAn= 7 IBT= 2 Dist= 1.32D+00 JB= 3 J= 1196 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1201 IAn= 7 Valence= 4. JB= 1 J= 1202 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1203 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 3 J= 1199 IAn= 6 IBT= 2 Dist= 1.32D+00 I= 1204 IAn= 6 Valence= 5. JB= 1 J= 1205 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1206 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1191 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1206 IAn= 7 Valence= 4. JB= 1 J= 1207 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1208 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1204 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1213 IAn= 6 Valence= 5. JB= 1 J= 1214 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 1215 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 1210 IAn= 6 IBT= 1 Dist= 1.52D+00 I= 1216 IAn= 6 Valence= 5. JB= 1 J= 1217 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1218 IAn= 7 IBT=22 Dist= 1.35D+00 JB= 3 J= 1208 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 1218 IAn= 7 Valence= 4. JB= 1 J= 1219 IAn= 6 IBT= 1 Dist= 1.45D+00 JB= 2 J= 1228 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1216 IAn= 6 IBT=12 Dist= 1.35D+00 I= 1230 IAn= 6 Valence= 5. JB= 1 J= 1231 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1232 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1228 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1232 IAn= 7 Valence= 4. JB= 1 J= 1233 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1234 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1230 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1237 IAn= 6 Valence= 5. JB= 1 J= 1238 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1239 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1234 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1239 IAn= 7 Valence= 4. JB= 1 J= 1240 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1241 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1237 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1247 IAn= 6 Valence= 5. JB= 1 J= 1248 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1249 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1241 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 1249 IAn= 7 Valence= 4. JB= 1 J= 1250 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1251 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1247 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1266 IAn= 6 Valence= 5. JB= 1 J= 1267 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1268 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1251 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1268 IAn= 7 Valence= 4. JB= 1 J= 1269 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1270 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1266 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1283 IAn= 6 Valence= 5. JB= 1 J= 1284 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1285 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 1270 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1285 IAn= 7 Valence= 4. JB= 1 J= 1286 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1287 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1283 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1293 IAn= 6 Valence= 5. JB= 1 J= 1294 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1295 IAn= 7 IBT=22 Dist= 1.35D+00 JB= 3 J= 1287 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 1295 IAn= 7 Valence= 4. JB= 1 J= 1296 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 2 J= 1305 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1293 IAn= 6 IBT=12 Dist= 1.35D+00 I= 1307 IAn= 6 Valence= 5. JB= 1 J= 1308 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1309 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1305 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 1309 IAn= 7 Valence= 4. JB= 1 J= 1310 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1311 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 1307 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1326 IAn= 6 Valence= 5. JB= 1 J= 1327 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1328 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1311 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1328 IAn= 7 Valence= 4. JB= 1 J= 1329 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1330 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1326 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1347 IAn= 6 Valence= 5. JB= 1 J= 1348 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1349 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1330 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1349 IAn= 7 Valence= 4. JB= 1 J= 1350 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1351 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 1347 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1361 IAn= 6 Valence= 5. JB= 1 J= 1362 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1363 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1351 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1363 IAn= 7 Valence= 4. JB= 1 J= 1364 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1365 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 1361 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1402 IAn= 6 Valence= 5. JB= 1 J= 1403 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1404 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1386 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1404 IAn= 7 Valence= 4. JB= 1 J= 1405 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1406 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1402 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1417 IAn= 7 Valence= 4. JB= 1 J= 1418 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1419 IAn= 6 IBT=12 Dist= 1.32D+00 JB= 3 J= 1414 IAn= 6 IBT= 1 Dist= 1.47D+00 I= 1419 IAn= 6 Valence= 6. JB= 1 J= 1420 IAn= 7 IBT= 2 Dist= 1.31D+00 JB= 2 J= 1423 IAn= 7 IBT= 2 Dist= 1.31D+00 JB= 3 J= 1417 IAn= 7 IBT=12 Dist= 1.32D+00 I= 1420 IAn= 7 Valence= 4. JB= 1 J= 1421 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1422 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 1419 IAn= 6 IBT= 2 Dist= 1.31D+00 I= 1423 IAn= 7 Valence= 4. JB= 1 J= 1424 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1425 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 3 J= 1419 IAn= 6 IBT= 2 Dist= 1.31D+00 I= 1426 IAn= 6 Valence= 5. JB= 1 J= 1427 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1428 IAn= 7 IBT=12 Dist= 1.33D+00 JB= 3 J= 1406 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1428 IAn= 7 Valence= 4. JB= 1 J= 1429 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1430 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1426 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1445 IAn= 6 Valence= 5. JB= 1 J= 1446 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1447 IAn= 7 IBT=22 Dist= 1.33D+00 JB= 3 J= 1430 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1447 IAn= 7 Valence= 4. JB= 1 J= 1448 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1449 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1445 IAn= 6 IBT=12 Dist= 1.33D+00 I= 1465 IAn= 6 Valence= 5. JB= 1 J= 1466 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 2 J= 1467 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 1462 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1468 IAn= 6 Valence= 5. JB= 1 J= 1469 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1470 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 1460 IAn= 6 IBT= 1 Dist= 1.55D+00 I= 1470 IAn= 7 Valence= 4. JB= 1 J= 1471 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1472 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1468 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1477 IAn= 6 Valence= 5. JB= 1 J= 1478 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 1479 IAn= 8 IBT= 2 Dist= 1.26D+00 JB= 3 J= 1474 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1480 IAn= 6 Valence= 5. JB= 1 J= 1481 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1482 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1472 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1482 IAn= 7 Valence= 4. JB= 1 J= 1483 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1484 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1480 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1499 IAn= 6 Valence= 5. JB= 1 J= 1500 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1501 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1484 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1501 IAn= 7 Valence= 4. JB= 1 J= 1502 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1503 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1499 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1517 IAn= 7 Valence= 4. JB= 1 J= 1518 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1519 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 3 J= 1520 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 4 J= 1514 IAn= 6 IBT= 1 Dist= 1.48D+00 I= 1521 IAn= 6 Valence= 5. JB= 1 J= 1522 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1523 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1503 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1523 IAn= 7 Valence= 4. JB= 1 J= 1524 IAn= 1 IBT= 1 Dist= 1.01D+00 JB= 2 J= 1525 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1521 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1528 IAn= 6 Valence= 5. JB= 1 J= 1529 IAn= 8 IBT= 2 Dist= 1.23D+00 JB= 2 J= 1530 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1525 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1530 IAn= 7 Valence= 4. JB= 1 J= 1531 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1532 IAn= 6 IBT= 1 Dist= 1.48D+00 JB= 3 J= 1528 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1559 IAn= 6 Valence= 5. JB= 1 J= 1560 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 2 J= 1561 IAn= 8 IBT= 2 Dist= 1.25D+00 JB= 3 J= 1556 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1562 IAn= 6 Valence= 5. JB= 1 J= 1563 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1564 IAn= 7 IBT=12 Dist= 1.34D+00 JB= 3 J= 1551 IAn= 6 IBT= 1 Dist= 1.54D+00 I= 1564 IAn= 7 Valence= 4. JB= 1 J= 1565 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1566 IAn= 6 IBT= 1 Dist= 1.46D+00 JB= 3 J= 1562 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1581 IAn= 6 Valence= 5. JB= 1 J= 1582 IAn= 8 IBT= 2 Dist= 1.24D+00 JB= 2 J= 1583 IAn= 7 IBT=22 Dist= 1.34D+00 JB= 3 J= 1566 IAn= 6 IBT= 1 Dist= 1.53D+00 I= 1583 IAn= 7 Valence= 4. JB= 1 J= 1584 IAn= 1 IBT= 1 Dist= 1.02D+00 JB= 2 J= 1585 IAn= 6 IBT= 1 Dist= 1.47D+00 JB= 3 J= 1581 IAn= 6 IBT=12 Dist= 1.34D+00 I= 1608 IAn= 6 Valence= 5. JB= 1 J= 1609 IAn= 1 IBT= 1 Dist= 1.09D+00 JB= 2 J= 1610 IAn= 1 IBT= 1 Dist= 1.09D+00 JB= 3 J= 1611 IAn= 16 IBT= 1 Dist= 1.86D+00 JB= 4 J= 1612 IAn= 6 IBT=12 Dist= 1.42D+00 I= 1612 IAn= 6 Valence= 5. JB= 1 J= 1613 IAn= 1 IBT= 1 Dist= 1.09D+00 JB= 2 J= 1614 IAn= 6 IBT= 1 Dist= 1.52D+00 JB= 3 J= 1608 IAn= 6 IBT=12 Dist= 1.42D+00 JB= 4 J= 1611 IAn= 16 IBT= 1 Dist= 1.85D+00 I= 1617 IAn= 16 Valence= 6. JB= 1 J= 1618 IAn= 8 IBT= 2 Dist= 1.44D+00 JB= 2 J= 1619 IAn= 8 IBT= 2 Dist= 1.44D+00 JB= 3 J= 1620 IAn= 6 IBT= 1 Dist= 1.77D+00 JB= 4 J= 1614 IAn= 6 IBT= 1 Dist= 1.77D+00 Read MM parameter file: Define ZN 1 Define C0 2 Include all MM classes MM sanity checks: All charges sum to: -2.51997000 Charges of atoms sum to: -2.51997000 Layer 1 (S) has 46 atoms and charge 0.35525400 sum= 0.35525400 Layer 2 (R) adds 2447 atoms and charge -2.87522400 sum= -2.51997000 WARNING -- The following centers have non-zero partial charges, but zero Vanderwaals parameters. These centers can collapse onto other centers with non-zero charge Center Charge 130 0.329691 331 0.446255 361 0.405484 728 0.405484 788 0.446255 905 0.329691 920 0.446255 1186 0.446255 1342 0.329691 1360 0.405484 1377 0.329691 1455 0.446255 1597 0.329691 1643 0.417000 1644 0.417000 1646 0.417000 1647 0.417000 1649 0.417000 1650 0.417000 1652 0.417000 1653 0.417000 1655 0.417000 1656 0.417000 1658 0.417000 1659 0.417000 1661 0.417000 1662 0.417000 1664 0.417000 1665 0.417000 1667 0.417000 1668 0.417000 1670 0.417000 1671 0.417000 1673 0.417000 1674 0.417000 1676 0.417000 1677 0.417000 1679 0.417000 1680 0.417000 1682 0.417000 1683 0.417000 1685 0.417000 1686 0.417000 1688 0.417000 1689 0.417000 1691 0.417000 1692 0.417000 1694 0.417000 1695 0.417000 1697 0.417000 1698 0.417000 1700 0.417000 1701 0.417000 1703 0.417000 1704 0.417000 1706 0.417000 1707 0.417000 1709 0.417000 1710 0.417000 1712 0.417000 1713 0.417000 1715 0.417000 1716 0.417000 1718 0.417000 1719 0.417000 1721 0.417000 1722 0.417000 1724 0.417000 1725 0.417000 1727 0.417000 1728 0.417000 1730 0.417000 1731 0.417000 1733 0.417000 1734 0.417000 1736 0.417000 1737 0.417000 1739 0.417000 1740 0.417000 1742 0.417000 1743 0.417000 1745 0.417000 1746 0.417000 1748 0.417000 1749 0.417000 1751 0.417000 1752 0.417000 1754 0.417000 1755 0.417000 1757 0.417000 1758 0.417000 1760 0.417000 1761 0.417000 1763 0.417000 1764 0.417000 1766 0.417000 1767 0.417000 1769 0.417000 1770 0.417000 1772 0.417000 1773 0.417000 1775 0.417000 1776 0.417000 1778 0.417000 1779 0.417000 1781 0.417000 1782 0.417000 1784 0.417000 1785 0.417000 1787 0.417000 1788 0.417000 1790 0.417000 1791 0.417000 1793 0.417000 1794 0.417000 1796 0.417000 1797 0.417000 1799 0.417000 1800 0.417000 1802 0.417000 1803 0.417000 1805 0.417000 1806 0.417000 1808 0.417000 1809 0.417000 1811 0.417000 1812 0.417000 1814 0.417000 1815 0.417000 1817 0.417000 1818 0.417000 1820 0.417000 1821 0.417000 1823 0.417000 1824 0.417000 1826 0.417000 1827 0.417000 1829 0.417000 1830 0.417000 1832 0.417000 1833 0.417000 1835 0.417000 1836 0.417000 1838 0.417000 1839 0.417000 1841 0.417000 1842 0.417000 1844 0.417000 1845 0.417000 1847 0.417000 1848 0.417000 1850 0.417000 1851 0.417000 1853 0.417000 1854 0.417000 1856 0.417000 1857 0.417000 1859 0.417000 1860 0.417000 1862 0.417000 1863 0.417000 1865 0.417000 1866 0.417000 1868 0.417000 1869 0.417000 1871 0.417000 1872 0.417000 1874 0.417000 1875 0.417000 1877 0.417000 1878 0.417000 1880 0.417000 1881 0.417000 1883 0.417000 1884 0.417000 1886 0.417000 1887 0.417000 1889 0.417000 1890 0.417000 1892 0.417000 1893 0.417000 1895 0.417000 1896 0.417000 1898 0.417000 1899 0.417000 1901 0.417000 1902 0.417000 1904 0.417000 1905 0.417000 1907 0.417000 1908 0.417000 1910 0.417000 1911 0.417000 1913 0.417000 1914 0.417000 1916 0.417000 1917 0.417000 1919 0.417000 1920 0.417000 1922 0.417000 1923 0.417000 1925 0.417000 1926 0.417000 1928 0.417000 1929 0.417000 1931 0.417000 1932 0.417000 1934 0.417000 1935 0.417000 1937 0.417000 1938 0.417000 1940 0.417000 1941 0.417000 1943 0.417000 1944 0.417000 1946 0.417000 1947 0.417000 1949 0.417000 1950 0.417000 1952 0.417000 1953 0.417000 1955 0.417000 1956 0.417000 1958 0.417000 1959 0.417000 1961 0.417000 1962 0.417000 1964 0.417000 1965 0.417000 1967 0.417000 1968 0.417000 1970 0.417000 1971 0.417000 1973 0.417000 1974 0.417000 1976 0.417000 1977 0.417000 1979 0.417000 1980 0.417000 1982 0.417000 1983 0.417000 1985 0.417000 1986 0.417000 1988 0.417000 1989 0.417000 1991 0.417000 1992 0.417000 1994 0.417000 1995 0.417000 1997 0.417000 1998 0.417000 2000 0.417000 2001 0.417000 2003 0.417000 2004 0.417000 2006 0.417000 2007 0.417000 2009 0.417000 2010 0.417000 2012 0.417000 2013 0.417000 2015 0.417000 2016 0.417000 2018 0.417000 2019 0.417000 2021 0.417000 2022 0.417000 2024 0.417000 2025 0.417000 2027 0.417000 2028 0.417000 2030 0.417000 2031 0.417000 2033 0.417000 2034 0.417000 2036 0.417000 2037 0.417000 2039 0.417000 2040 0.417000 2042 0.417000 2043 0.417000 2045 0.417000 2046 0.417000 2048 0.417000 2049 0.417000 2051 0.417000 2052 0.417000 2054 0.417000 2055 0.417000 2057 0.417000 2058 0.417000 2060 0.417000 2061 0.417000 2063 0.417000 2064 0.417000 2066 0.417000 2067 0.417000 2069 0.417000 2070 0.417000 2072 0.417000 2073 0.417000 2075 0.417000 2076 0.417000 2078 0.417000 2079 0.417000 2081 0.417000 2082 0.417000 2084 0.417000 2085 0.417000 2087 0.417000 2088 0.417000 2090 0.417000 2091 0.417000 2093 0.417000 2094 0.417000 2096 0.417000 2097 0.417000 2099 0.417000 2100 0.417000 2102 0.417000 2103 0.417000 2105 0.417000 2106 0.417000 2108 0.417000 2109 0.417000 2111 0.417000 2112 0.417000 2114 0.417000 2115 0.417000 2117 0.417000 2118 0.417000 2120 0.417000 2121 0.417000 2123 0.417000 2124 0.417000 2126 0.417000 2127 0.417000 2129 0.417000 2130 0.417000 2132 0.417000 2133 0.417000 2135 0.417000 2136 0.417000 2138 0.417000 2139 0.417000 2141 0.417000 2142 0.417000 2144 0.417000 2145 0.417000 2147 0.417000 2148 0.417000 2150 0.417000 2151 0.417000 2153 0.417000 2154 0.417000 2156 0.417000 2157 0.417000 2159 0.417000 2160 0.417000 2162 0.417000 2163 0.417000 2165 0.417000 2166 0.417000 2168 0.417000 2169 0.417000 2171 0.417000 2172 0.417000 2174 0.417000 2175 0.417000 2177 0.417000 2178 0.417000 2180 0.417000 2181 0.417000 2183 0.417000 2184 0.417000 2186 0.417000 2187 0.417000 2189 0.417000 2190 0.417000 2192 0.417000 2193 0.417000 2195 0.417000 2196 0.417000 2198 0.417000 2199 0.417000 2201 0.417000 2202 0.417000 2204 0.417000 2205 0.417000 2207 0.417000 2208 0.417000 2210 0.417000 2211 0.417000 2213 0.417000 2214 0.417000 2216 0.417000 2217 0.417000 2219 0.417000 2220 0.417000 2222 0.417000 2223 0.417000 2225 0.417000 2226 0.417000 2228 0.417000 2229 0.417000 2231 0.417000 2232 0.417000 2234 0.417000 2235 0.417000 2237 0.417000 2238 0.417000 2240 0.417000 2241 0.417000 2243 0.417000 2244 0.417000 2246 0.417000 2247 0.417000 2249 0.417000 2250 0.417000 2252 0.417000 2253 0.417000 2255 0.417000 2256 0.417000 2258 0.417000 2259 0.417000 2261 0.417000 2262 0.417000 2264 0.417000 2265 0.417000 2267 0.417000 2268 0.417000 2270 0.417000 2271 0.417000 2273 0.417000 2274 0.417000 2276 0.417000 2277 0.417000 2279 0.417000 2280 0.417000 2282 0.417000 2283 0.417000 2285 0.417000 2286 0.417000 2288 0.417000 2289 0.417000 2291 0.417000 2292 0.417000 2294 0.417000 2295 0.417000 2297 0.417000 2298 0.417000 2300 0.417000 2301 0.417000 2303 0.417000 2304 0.417000 2306 0.417000 2307 0.417000 2309 0.417000 2310 0.417000 2312 0.417000 2313 0.417000 2315 0.417000 2316 0.417000 2318 0.417000 2319 0.417000 2321 0.417000 2322 0.417000 2324 0.417000 2325 0.417000 2327 0.417000 2328 0.417000 2330 0.417000 2331 0.417000 2333 0.417000 2334 0.417000 2336 0.417000 2337 0.417000 2339 0.417000 2340 0.417000 2342 0.417000 2343 0.417000 2345 0.417000 2346 0.417000 2348 0.417000 2349 0.417000 2351 0.417000 2352 0.417000 2354 0.417000 2355 0.417000 2357 0.417000 2358 0.417000 2360 0.417000 2361 0.417000 2363 0.417000 2364 0.417000 2366 0.417000 2367 0.417000 2369 0.417000 2370 0.417000 2372 0.417000 2373 0.417000 2375 0.417000 2376 0.417000 2378 0.417000 2379 0.417000 2381 0.417000 2382 0.417000 2384 0.417000 2385 0.417000 2387 0.417000 2388 0.417000 2390 0.417000 2391 0.417000 2393 0.417000 2394 0.417000 2396 0.417000 2397 0.417000 2399 0.417000 2400 0.417000 2402 0.417000 2403 0.417000 2405 0.417000 2406 0.417000 2408 0.417000 2409 0.417000 2411 0.417000 2412 0.417000 2414 0.417000 2415 0.417000 2417 0.417000 2418 0.417000 2420 0.417000 2421 0.417000 2423 0.417000 2424 0.417000 2426 0.417000 2427 0.417000 2429 0.417000 2430 0.417000 2432 0.417000 2433 0.417000 2435 0.417000 2436 0.417000 2438 0.417000 2439 0.417000 2441 0.417000 2442 0.417000 2444 0.417000 2445 0.417000 2447 0.417000 2448 0.417000 2450 0.417000 2451 0.417000 2453 0.417000 2454 0.417000 2456 0.417000 2457 0.417000 2459 0.417000 2460 0.417000 2462 0.417000 2463 0.417000 2465 0.417000 2466 0.417000 2468 0.417000 2469 0.417000 2471 0.417000 2472 0.417000 2474 0.417000 2475 0.417000 2477 0.417000 2478 0.417000 2480 0.417000 2481 0.417000 2483 0.417000 2484 0.417000 2486 0.417000 2487 0.417000 2489 0.417000 2490 0.417000 2492 0.417000 2493 0.417000 MMInit generated parameter data with length LenPar= 341422. Leave Link 101 at Fri Nov 6 17:05:22 2009, MaxMem= 393216000 cpu: 1.6 (Enter XXXXXXX/x86_64/g09a02/g09/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1021,1024) 1.5153 estimate D2E/DX2 ! ! R2 R(1024,1025) 1.3725 estimate D2E/DX2 ! ! R3 R(1024,1030) 1.3669 estimate D2E/DX2 ! ! R4 R(1025,1026) 1.0189 estimate D2E/DX2 ! ! R5 R(1025,1027) 1.3447 estimate D2E/DX2 ! ! R6 R(1027,1028) 1.0823 estimate D2E/DX2 ! ! R7 R(1027,1029) 1.3508 estimate D2E/DX2 ! ! R8 R(1029,1030) 1.4088 estimate D2E/DX2 ! ! R9 R(1029,1604) 2.1872 estimate D2E/DX2 ! ! R10 R(1030,1031) 1.078 estimate D2E/DX2 ! ! R11 R(1031,1044) 2.9474 estimate D2E/DX2 ! ! R12 R(1031,1045) 2.3771 estimate D2E/DX2 ! ! R13 R(1038,1041) 1.5381 estimate D2E/DX2 ! ! R14 R(1041,1042) 1.0918 estimate D2E/DX2 ! ! R15 R(1041,1043) 1.0892 estimate D2E/DX2 ! ! R16 R(1041,1044) 1.5312 estimate D2E/DX2 ! ! R17 R(1044,1045) 1.2523 estimate D2E/DX2 ! ! R18 R(1044,1046) 1.251 estimate D2E/DX2 ! ! R19 R(1045,1609) 2.8322 estimate D2E/DX2 ! ! R20 R(1045,1615) 2.2703 estimate D2E/DX2 ! ! R21 R(1080,1083) 1.5026 estimate D2E/DX2 ! ! R22 R(1083,1084) 1.373 estimate D2E/DX2 ! ! R23 R(1083,1089) 1.3663 estimate D2E/DX2 ! ! R24 R(1084,1085) 1.0199 estimate D2E/DX2 ! ! R25 R(1084,1086) 1.3383 estimate D2E/DX2 ! ! R26 R(1086,1087) 1.0822 estimate D2E/DX2 ! ! R27 R(1086,1088) 1.3461 estimate D2E/DX2 ! ! R28 R(1088,1089) 1.402 estimate D2E/DX2 ! ! R29 R(1088,1604) 2.0269 estimate D2E/DX2 ! ! R30 R(1089,1090) 1.0813 estimate D2E/DX2 ! ! R31 R(1165,1168) 1.51 estimate D2E/DX2 ! ! R32 R(1168,1169) 1.3762 estimate D2E/DX2 ! ! R33 R(1168,1174) 1.3704 estimate D2E/DX2 ! ! R34 R(1169,1170) 1.0163 estimate D2E/DX2 ! ! R35 R(1169,1171) 1.3405 estimate D2E/DX2 ! ! R36 R(1171,1172) 1.0834 estimate D2E/DX2 ! ! R37 R(1171,1173) 1.3514 estimate D2E/DX2 ! ! R38 R(1172,1611) 2.8576 estimate D2E/DX2 ! ! R39 R(1173,1174) 1.401 estimate D2E/DX2 ! ! R40 R(1173,1604) 2.0954 estimate D2E/DX2 ! ! R41 R(1173,1611) 3.0867 estimate D2E/DX2 ! ! R42 R(1174,1175) 1.0807 estimate D2E/DX2 ! ! R43 R(1604,1611) 2.5313 estimate D2E/DX2 ! ! R44 R(1604,1648) 1.9452 estimate D2E/DX2 ! ! R45 R(1608,1609) 1.0883 estimate D2E/DX2 ! ! R46 R(1608,1610) 1.0879 estimate D2E/DX2 ! ! R47 R(1608,1611) 1.8647 estimate D2E/DX2 ! ! R48 R(1608,1612) 1.4219 estimate D2E/DX2 ! ! R49 R(1611,1612) 1.8538 estimate D2E/DX2 ! ! R50 R(1612,1613) 1.0884 estimate D2E/DX2 ! ! R51 R(1612,1614) 1.5155 estimate D2E/DX2 ! ! R52 R(1614,1615) 1.0937 estimate D2E/DX2 ! ! R53 R(1614,1616) 1.0895 estimate D2E/DX2 ! ! R54 R(1614,1617) 1.7724 estimate D2E/DX2 ! ! R55 R(1617,1618) 1.4401 estimate D2E/DX2 ! ! R56 R(1617,1619) 1.4364 estimate D2E/DX2 ! ! R57 R(1617,1620) 1.771 estimate D2E/DX2 ! ! R58 R(1648,1649) 1.0014 estimate D2E/DX2 ! ! R59 R(1648,1650) 0.9962 estimate D2E/DX2 ! ! A1 A(1021,1024,1025) 127.0091 estimate D2E/DX2 ! ! A2 A(1021,1024,1030) 126.3064 estimate D2E/DX2 ! ! A3 A(1025,1024,1030) 106.4781 estimate D2E/DX2 ! ! A4 A(1024,1025,1026) 125.6318 estimate D2E/DX2 ! ! A5 A(1024,1025,1027) 108.1615 estimate D2E/DX2 ! ! A6 A(1026,1025,1027) 126.2002 estimate D2E/DX2 ! ! A7 A(1025,1027,1028) 123.7941 estimate D2E/DX2 ! ! A8 A(1025,1027,1029) 111.4741 estimate D2E/DX2 ! ! A9 A(1028,1027,1029) 124.7163 estimate D2E/DX2 ! ! A10 A(1027,1029,1030) 104.3277 estimate D2E/DX2 ! ! A11 A(1027,1029,1604) 129.9704 estimate D2E/DX2 ! ! A12 A(1030,1029,1604) 118.4066 estimate D2E/DX2 ! ! A13 A(1024,1030,1029) 109.548 estimate D2E/DX2 ! ! A14 A(1024,1030,1031) 123.9095 estimate D2E/DX2 ! ! A15 A(1029,1030,1031) 126.528 estimate D2E/DX2 ! ! A16 A(1030,1031,1044) 166.1977 estimate D2E/DX2 ! ! A17 A(1030,1031,1045) 149.6533 estimate D2E/DX2 ! ! A18 A(1038,1041,1042) 109.0072 estimate D2E/DX2 ! ! A19 A(1038,1041,1043) 107.9961 estimate D2E/DX2 ! ! A20 A(1038,1041,1044) 114.0027 estimate D2E/DX2 ! ! A21 A(1042,1041,1043) 107.7798 estimate D2E/DX2 ! ! A22 A(1042,1041,1044) 109.2131 estimate D2E/DX2 ! ! A23 A(1043,1041,1044) 108.6609 estimate D2E/DX2 ! ! A24 A(1031,1044,1041) 100.3649 estimate D2E/DX2 ! ! A25 A(1031,1044,1046) 112.0326 estimate D2E/DX2 ! ! A26 A(1041,1044,1045) 118.8586 estimate D2E/DX2 ! ! A27 A(1041,1044,1046) 120.2267 estimate D2E/DX2 ! ! A28 A(1045,1044,1046) 120.6967 estimate D2E/DX2 ! ! A29 A(1031,1045,1609) 111.0456 estimate D2E/DX2 ! ! A30 A(1031,1045,1615) 95.8032 estimate D2E/DX2 ! ! A31 A(1044,1045,1609) 104.344 estimate D2E/DX2 ! ! A32 A(1044,1045,1615) 159.0125 estimate D2E/DX2 ! ! A33 A(1609,1045,1615) 61.8354 estimate D2E/DX2 ! ! A34 A(1080,1083,1084) 126.2758 estimate D2E/DX2 ! ! A35 A(1080,1083,1089) 126.6957 estimate D2E/DX2 ! ! A36 A(1084,1083,1089) 106.9938 estimate D2E/DX2 ! ! A37 A(1083,1084,1085) 127.1849 estimate D2E/DX2 ! ! A38 A(1083,1084,1086) 108.0741 estimate D2E/DX2 ! ! A39 A(1085,1084,1086) 124.3297 estimate D2E/DX2 ! ! A40 A(1084,1086,1087) 123.9744 estimate D2E/DX2 ! ! A41 A(1084,1086,1088) 110.8766 estimate D2E/DX2 ! ! A42 A(1087,1086,1088) 124.9045 estimate D2E/DX2 ! ! A43 A(1086,1088,1089) 105.5084 estimate D2E/DX2 ! ! A44 A(1086,1088,1604) 117.1291 estimate D2E/DX2 ! ! A45 A(1089,1088,1604) 109.3464 estimate D2E/DX2 ! ! A46 A(1083,1089,1088) 108.3876 estimate D2E/DX2 ! ! A47 A(1083,1089,1090) 125.357 estimate D2E/DX2 ! ! A48 A(1088,1089,1090) 126.1309 estimate D2E/DX2 ! ! A49 A(1165,1168,1169) 126.275 estimate D2E/DX2 ! ! A50 A(1165,1168,1174) 126.7889 estimate D2E/DX2 ! ! A51 A(1169,1168,1174) 106.7728 estimate D2E/DX2 ! ! A52 A(1168,1169,1170) 127.2156 estimate D2E/DX2 ! ! A53 A(1168,1169,1171) 107.9298 estimate D2E/DX2 ! ! A54 A(1170,1169,1171) 124.852 estimate D2E/DX2 ! ! A55 A(1169,1171,1172) 123.722 estimate D2E/DX2 ! ! A56 A(1169,1171,1173) 111.2616 estimate D2E/DX2 ! ! A57 A(1172,1171,1173) 124.995 estimate D2E/DX2 ! ! A58 A(1171,1172,1611) 104.9231 estimate D2E/DX2 ! ! A59 A(1171,1173,1174) 105.0657 estimate D2E/DX2 ! ! A60 A(1171,1173,1604) 124.4718 estimate D2E/DX2 ! ! A61 A(1171,1173,1611) 87.1187 estimate D2E/DX2 ! ! A62 A(1174,1173,1604) 120.6907 estimate D2E/DX2 ! ! A63 A(1174,1173,1611) 165.4996 estimate D2E/DX2 ! ! A64 A(1168,1174,1173) 108.9089 estimate D2E/DX2 ! ! A65 A(1168,1174,1175) 125.6727 estimate D2E/DX2 ! ! A66 A(1173,1174,1175) 125.4152 estimate D2E/DX2 ! ! A67 A(1029,1604,1088) 89.3369 estimate D2E/DX2 ! ! A68 A(1029,1604,1173) 90.5796 estimate D2E/DX2 ! ! A69 A(1029,1604,1611) 91.0861 estimate D2E/DX2 ! ! A70 A(1029,1604,1648) 177.3054 estimate D2E/DX2 ! ! A71 A(1088,1604,1173) 94.4524 estimate D2E/DX2 ! ! A72 A(1088,1604,1648) 93.1094 estimate D2E/DX2 ! ! A73 A(1173,1604,1648) 88.1059 estimate D2E/DX2 ! ! A74 A(1611,1604,1648) 86.422 estimate D2E/DX2 ! ! A75 A(1609,1608,1610) 116.0727 estimate D2E/DX2 ! ! A76 A(1609,1608,1611) 111.2116 estimate D2E/DX2 ! ! A77 A(1609,1608,1612) 119.7215 estimate D2E/DX2 ! ! A78 A(1610,1608,1611) 109.572 estimate D2E/DX2 ! ! A79 A(1610,1608,1612) 120.6369 estimate D2E/DX2 ! ! A80 A(1045,1609,1608) 130.8223 estimate D2E/DX2 ! ! A81 A(1172,1611,1173) 42.4607 estimate D2E/DX2 ! ! A82 A(1172,1611,1604) 76.673 estimate D2E/DX2 ! ! A83 A(1172,1611,1608) 111.7512 estimate D2E/DX2 ! ! A84 A(1172,1611,1612) 125.5887 estimate D2E/DX2 ! ! A85 A(1173,1611,1608) 136.1047 estimate D2E/DX2 ! ! A86 A(1173,1611,1612) 167.5142 estimate D2E/DX2 ! ! A87 A(1604,1611,1608) 109.0529 estimate D2E/DX2 ! ! A88 A(1604,1611,1612) 148.2478 estimate D2E/DX2 ! ! A89 A(1608,1612,1613) 118.1319 estimate D2E/DX2 ! ! A90 A(1608,1612,1614) 120.461 estimate D2E/DX2 ! ! A91 A(1611,1612,1613) 109.6656 estimate D2E/DX2 ! ! A92 A(1611,1612,1614) 110.7911 estimate D2E/DX2 ! ! A93 A(1613,1612,1614) 117.391 estimate D2E/DX2 ! ! A94 A(1612,1614,1615) 110.5405 estimate D2E/DX2 ! ! A95 A(1612,1614,1616) 109.9084 estimate D2E/DX2 ! ! A96 A(1612,1614,1617) 113.0504 estimate D2E/DX2 ! ! A97 A(1615,1614,1616) 107.9981 estimate D2E/DX2 ! ! A98 A(1615,1614,1617) 108.6824 estimate D2E/DX2 ! ! A99 A(1616,1614,1617) 106.4635 estimate D2E/DX2 ! ! A100 A(1045,1615,1614) 142.2518 estimate D2E/DX2 ! ! A101 A(1614,1617,1618) 109.4781 estimate D2E/DX2 ! ! A102 A(1614,1617,1619) 107.3351 estimate D2E/DX2 ! ! A103 A(1614,1617,1620) 105.6991 estimate D2E/DX2 ! ! A104 A(1618,1617,1619) 118.1935 estimate D2E/DX2 ! ! A105 A(1618,1617,1620) 106.3504 estimate D2E/DX2 ! ! A106 A(1619,1617,1620) 109.1234 estimate D2E/DX2 ! ! A107 A(1604,1648,1649) 128.5262 estimate D2E/DX2 ! ! A108 A(1604,1648,1650) 130.522 estimate D2E/DX2 ! ! A109 A(1649,1648,1650) 96.9745 estimate D2E/DX2 ! ! D1 D(1021,1024,1025,1026) -3.295 estimate D2E/DX2 ! ! D2 D(1021,1024,1025,1027)175.8189 estimate D2E/DX2 ! ! D3 D(1030,1024,1025,1026-178.3072 estimate D2E/DX2 ! ! D4 D(1030,1024,1025,1027) 0.8068 estimate D2E/DX2 ! ! D5 D(1021,1024,1030,1029-176.1231 estimate D2E/DX2 ! ! D6 D(1021,1024,1030,1031) 2.5687 estimate D2E/DX2 ! ! D7 D(1025,1024,1030,1029) -1.0655 estimate D2E/DX2 ! ! D8 D(1025,1024,1030,1031)177.6263 estimate D2E/DX2 ! ! D9 D(1024,1025,1027,1028-178.8768 estimate D2E/DX2 ! ! D10 D(1024,1025,1027,1029) -0.2479 estimate D2E/DX2 ! ! D11 D(1026,1025,1027,1028) 0.2308 estimate D2E/DX2 ! ! D12 D(1026,1025,1027,1029)178.8597 estimate D2E/DX2 ! ! D13 D(1025,1027,1029,1030) -0.3968 estimate D2E/DX2 ! ! D14 D(1025,1027,1029,1604)148.3371 estimate D2E/DX2 ! ! D15 D(1028,1027,1029,1030)178.217 estimate D2E/DX2 ! ! D16 D(1028,1027,1029,1604)-33.0491 estimate D2E/DX2 ! ! D17 D(1027,1029,1030,1024) 0.9062 estimate D2E/DX2 ! ! D18 D(1027,1029,1030,1031-177.7426 estimate D2E/DX2 ! ! D19 D(1604,1029,1030,1024-152.2084 estimate D2E/DX2 ! ! D20 D(1604,1029,1030,1031) 29.1428 estimate D2E/DX2 ! ! D21 D(1027,1029,1604,1088)-59.9203 estimate D2E/DX2 ! ! D22 D(1027,1029,1604,1173) 34.5259 estimate D2E/DX2 ! ! D23 D(1027,1029,1604,1611)117.6569 estimate D2E/DX2 ! ! D24 D(1030,1029,1604,1088) 85.2104 estimate D2E/DX2 ! ! D25 D(1030,1029,1604,1173)179.6566 estimate D2E/DX2 ! ! D26 D(1030,1029,1604,1611)-97.2124 estimate D2E/DX2 ! ! D27 D(1024,1030,1031,1044)164.8729 estimate D2E/DX2 ! ! D28 D(1024,1030,1031,1045-142.5391 estimate D2E/DX2 ! ! D29 D(1029,1030,1031,1044)-16.6614 estimate D2E/DX2 ! ! D30 D(1029,1030,1031,1045) 35.9266 estimate D2E/DX2 ! ! D31 D(1030,1031,1044,1041-164.1378 estimate D2E/DX2 ! ! D32 D(1030,1031,1044,1046)-35.374 estimate D2E/DX2 ! ! D33 D(1030,1031,1045,1609)-40.7716 estimate D2E/DX2 ! ! D34 D(1030,1031,1045,1615) 21.2433 estimate D2E/DX2 ! ! D35 D(1038,1041,1044,1031) 87.352 estimate D2E/DX2 ! ! D36 D(1038,1041,1044,1045)138.8005 estimate D2E/DX2 ! ! D37 D(1038,1041,1044,1046)-35.8731 estimate D2E/DX2 ! ! D38 D(1042,1041,1044,1031)-34.8377 estimate D2E/DX2 ! ! D39 D(1042,1041,1044,1045) 16.6108 estimate D2E/DX2 ! ! D40 D(1042,1041,1044,1046-158.0628 estimate D2E/DX2 ! ! D41 D(1043,1041,1044,1031-152.1608 estimate D2E/DX2 ! ! D42 D(1043,1041,1044,1045-100.7124 estimate D2E/DX2 ! ! D43 D(1043,1041,1044,1046) 84.6141 estimate D2E/DX2 ! ! D44 D(1041,1044,1045,1609)163.6065 estimate D2E/DX2 ! ! D45 D(1041,1044,1045,1615)117.527 estimate D2E/DX2 ! ! D46 D(1046,1044,1045,1609)-21.7458 estimate D2E/DX2 ! ! D47 D(1046,1044,1045,1615)-67.8253 estimate D2E/DX2 ! ! D48 D(1031,1045,1609,1608) 63.5524 estimate D2E/DX2 ! ! D49 D(1044,1045,1609,1608)175.3363 estimate D2E/DX2 ! ! D50 D(1615,1045,1609,1608)-21.6796 estimate D2E/DX2 ! ! D51 D(1031,1045,1615,1614-156.5124 estimate D2E/DX2 ! ! D52 D(1044,1045,1615,1614) 6.6155 estimate D2E/DX2 ! ! D53 D(1609,1045,1615,1614)-45.7173 estimate D2E/DX2 ! ! D54 D(1080,1083,1084,1085) -5.18 estimate D2E/DX2 ! ! D55 D(1080,1083,1084,1086-178.0145 estimate D2E/DX2 ! ! D56 D(1089,1083,1084,1085)172.7882 estimate D2E/DX2 ! ! D57 D(1089,1083,1084,1086) -0.0462 estimate D2E/DX2 ! ! D58 D(1080,1083,1089,1088)175.5834 estimate D2E/DX2 ! ! D59 D(1080,1083,1089,1090) -0.5572 estimate D2E/DX2 ! ! D60 D(1084,1083,1089,1088) -2.3738 estimate D2E/DX2 ! ! D61 D(1084,1083,1089,1090-178.5144 estimate D2E/DX2 ! ! D62 D(1083,1084,1086,1087)177.1453 estimate D2E/DX2 ! ! D63 D(1083,1084,1086,1088) 2.5891 estimate D2E/DX2 ! ! D64 D(1085,1084,1086,1087) 4.057 estimate D2E/DX2 ! ! D65 D(1085,1084,1086,1088-170.4993 estimate D2E/DX2 ! ! D66 D(1084,1086,1088,1089) -3.9631 estimate D2E/DX2 ! ! D67 D(1084,1086,1088,1604)117.9388 estimate D2E/DX2 ! ! D68 D(1087,1086,1088,1089-178.4582 estimate D2E/DX2 ! ! D69 D(1087,1086,1088,1604)-56.5563 estimate D2E/DX2 ! ! D70 D(1086,1088,1089,1083) 3.8575 estimate D2E/DX2 ! ! D71 D(1086,1088,1089,1090)179.9604 estimate D2E/DX2 ! ! D72 D(1604,1088,1089,1083-122.9388 estimate D2E/DX2 ! ! D73 D(1604,1088,1089,1090) 53.1641 estimate D2E/DX2 ! ! D74 D(1086,1088,1604,1029)153.0266 estimate D2E/DX2 ! ! D75 D(1086,1088,1604,1173) 62.4968 estimate D2E/DX2 ! ! D76 D(1086,1088,1604,1648)-25.843 estimate D2E/DX2 ! ! D77 D(1089,1088,1604,1029)-87.0854 estimate D2E/DX2 ! ! D78 D(1089,1088,1604,1173-177.6152 estimate D2E/DX2 ! ! D79 D(1089,1088,1604,1648) 94.045 estimate D2E/DX2 ! ! D80 D(1086,1088,1611,1172) 31.8059 estimate D2E/DX2 ! ! D81 D(1086,1088,1611,1608)-76.5297 estimate D2E/DX2 ! ! D82 D(1086,1088,1611,1612-106.3725 estimate D2E/DX2 ! ! D83 D(1089,1088,1611,1172)152.1806 estimate D2E/DX2 ! ! D84 D(1089,1088,1611,1608) 43.8451 estimate D2E/DX2 ! ! D85 D(1089,1088,1611,1612) 14.0023 estimate D2E/DX2 ! ! D86 D(1165,1168,1169,1170) -4.7713 estimate D2E/DX2 ! ! D87 D(1165,1168,1169,1171)175.7967 estimate D2E/DX2 ! ! D88 D(1174,1168,1169,1170)179.6334 estimate D2E/DX2 ! ! D89 D(1174,1168,1169,1171) 0.2015 estimate D2E/DX2 ! ! D90 D(1165,1168,1174,1173-177.229 estimate D2E/DX2 ! ! D91 D(1165,1168,1174,1175) 3.3973 estimate D2E/DX2 ! ! D92 D(1169,1168,1174,1173) -1.6631 estimate D2E/DX2 ! ! D93 D(1169,1168,1174,1175)178.9632 estimate D2E/DX2 ! ! D94 D(1168,1169,1171,1172)179.799 estimate D2E/DX2 ! ! D95 D(1168,1169,1171,1173) 1.4095 estimate D2E/DX2 ! ! D96 D(1170,1169,1171,1172) 0.3502 estimate D2E/DX2 ! ! D97 D(1170,1169,1171,1173-178.0392 estimate D2E/DX2 ! ! D98 D(1169,1171,1172,1611)173.7468 estimate D2E/DX2 ! ! D99 D(1173,1171,1172,1611) -8.0855 estimate D2E/DX2 ! ! D100 D(1169,1171,1173,1174) -2.3731 estimate D2E/DX2 ! ! D101 D(1169,1171,1173,1604)143.313 estimate D2E/DX2 ! ! D102 D(1169,1171,1173,1611-174.3977 estimate D2E/DX2 ! ! D103 D(1172,1171,1173,1174)179.2622 estimate D2E/DX2 ! ! D104 D(1172,1171,1173,1604)-35.0517 estimate D2E/DX2 ! ! D105 D(1172,1171,1173,1611) 7.2375 estimate D2E/DX2 ! ! D106 D(1171,1172,1611,1173) 4.2853 estimate D2E/DX2 ! ! D107 D(1171,1172,1611,1604) 34.3182 estimate D2E/DX2 ! ! D108 D(1171,1172,1611,1608)139.7848 estimate D2E/DX2 ! ! D109 D(1171,1172,1611,1612-170.8511 estimate D2E/DX2 ! ! D110 D(1171,1173,1174,1168) 2.4557 estimate D2E/DX2 ! ! D111 D(1171,1173,1174,1175-178.1686 estimate D2E/DX2 ! ! D112 D(1604,1173,1174,1168-144.8311 estimate D2E/DX2 ! ! D113 D(1604,1173,1174,1175) 34.5447 estimate D2E/DX2 ! ! D114 D(1611,1173,1174,1168)148.8531 estimate D2E/DX2 ! ! D115 D(1611,1173,1174,1175)-31.7712 estimate D2E/DX2 ! ! D116 D(1171,1173,1604,1029)146.6548 estimate D2E/DX2 ! ! D117 D(1171,1173,1604,1088-123.9651 estimate D2E/DX2 ! ! D118 D(1171,1173,1604,1648)-30.9924 estimate D2E/DX2 ! ! D119 D(1174,1173,1604,1029)-72.618 estimate D2E/DX2 ! ! D120 D(1174,1173,1604,1088) 16.762 estimate D2E/DX2 ! ! D121 D(1174,1173,1604,1648)109.7348 estimate D2E/DX2 ! ! D122 D(1171,1173,1611,1172) -3.3226 estimate D2E/DX2 ! ! D123 D(1171,1173,1611,1608)-73.1979 estimate D2E/DX2 ! ! D124 D(1171,1173,1611,1612) 15.2743 estimate D2E/DX2 ! ! D125 D(1174,1173,1611,1172-150.973 estimate D2E/DX2 ! ! D126 D(1174,1173,1611,1608)139.1517 estimate D2E/DX2 ! ! D127 D(1174,1173,1611,1612-132.3761 estimate D2E/DX2 ! ! D128 D(1029,1604,1611,1172-120.5408 estimate D2E/DX2 ! ! D129 D(1029,1604,1611,1608)130.7302 estimate D2E/DX2 ! ! D130 D(1029,1604,1611,1612)100.5469 estimate D2E/DX2 ! ! D131 D(1648,1604,1611,1172) 58.4329 estimate D2E/DX2 ! ! D132 D(1648,1604,1611,1608)-50.2962 estimate D2E/DX2 ! ! D133 D(1648,1604,1611,1612)-80.4794 estimate D2E/DX2 ! ! D134 D(1088,1604,1648,1649)-81.867 estimate D2E/DX2 ! ! D135 D(1088,1604,1648,1650) 70.35 estimate D2E/DX2 ! ! D136 D(1173,1604,1648,1649-176.2251 estimate D2E/DX2 ! ! D137 D(1173,1604,1648,1650)-24.0081 estimate D2E/DX2 ! ! D138 D(1611,1604,1648,1649)100.5513 estimate D2E/DX2 ! ! D139 D(1611,1604,1648,1650-107.2317 estimate D2E/DX2 ! ! D140 D(1610,1608,1609,1045-168.0922 estimate D2E/DX2 ! ! D141 D(1611,1608,1609,1045)-41.9388 estimate D2E/DX2 ! ! D142 D(1612,1608,1609,1045) 33.0629 estimate D2E/DX2 ! ! D143 D(1609,1608,1611,1172-126.4244 estimate D2E/DX2 ! ! D144 D(1609,1608,1611,1173)-83.3884 estimate D2E/DX2 ! ! D145 D(1609,1608,1611,1604)-43.5918 estimate D2E/DX2 ! ! D146 D(1610,1608,1611,1172) 3.2443 estimate D2E/DX2 ! ! D147 D(1610,1608,1611,1173) 46.2803 estimate D2E/DX2 ! ! D148 D(1610,1608,1611,1604) 86.077 estimate D2E/DX2 ! ! D149 D(1609,1608,1612,1613)156.5637 estimate D2E/DX2 ! ! D150 D(1609,1608,1612,1614) -0.3156 estimate D2E/DX2 ! ! D151 D(1610,1608,1612,1613) -1.3032 estimate D2E/DX2 ! ! D152 D(1610,1608,1612,1614-158.1826 estimate D2E/DX2 ! ! D153 D(1172,1611,1612,1613) 27.4005 estimate D2E/DX2 ! ! D154 D(1172,1611,1612,1614)158.5691 estimate D2E/DX2 ! ! D155 D(1173,1611,1612,1613) 12.049 estimate D2E/DX2 ! ! D156 D(1173,1611,1612,1614)143.2177 estimate D2E/DX2 ! ! D157 D(1604,1611,1612,1613)155.55 estimate D2E/DX2 ! ! D158 D(1604,1611,1612,1614)-73.2814 estimate D2E/DX2 ! ! D159 D(1608,1612,1614,1615)-47.8722 estimate D2E/DX2 ! ! D160 D(1608,1612,1614,1616) 71.2474 estimate D2E/DX2 ! ! D161 D(1608,1612,1614,1617-169.9577 estimate D2E/DX2 ! ! D162 D(1611,1612,1614,1615) 28.058 estimate D2E/DX2 ! ! D163 D(1611,1612,1614,1616)147.1776 estimate D2E/DX2 ! ! D164 D(1611,1612,1614,1617)-94.0276 estimate D2E/DX2 ! ! D165 D(1613,1612,1614,1615)155.0827 estimate D2E/DX2 ! ! D166 D(1613,1612,1614,1616)-85.7977 estimate D2E/DX2 ! ! D167 D(1613,1612,1614,1617) 32.9971 estimate D2E/DX2 ! ! D168 D(1612,1614,1615,1045) 80.0794 estimate D2E/DX2 ! ! D169 D(1616,1614,1615,1045)-40.1906 estimate D2E/DX2 ! ! D170 D(1617,1614,1615,1045-155.3043 estimate D2E/DX2 ! ! D171 D(1612,1614,1617,1618) 19.4882 estimate D2E/DX2 ! ! D172 D(1612,1614,1617,1619-109.9595 estimate D2E/DX2 ! ! D173 D(1612,1614,1617,1620)133.6668 estimate D2E/DX2 ! ! D174 D(1615,1614,1617,1618-103.6326 estimate D2E/DX2 ! ! D175 D(1615,1614,1617,1619)126.9197 estimate D2E/DX2 ! ! D176 D(1615,1614,1617,1620) 10.546 estimate D2E/DX2 ! ! D177 D(1616,1614,1617,1618)140.2608 estimate D2E/DX2 ! ! D178 D(1616,1614,1617,1619) 10.8131 estimate D2E/DX2 ! ! D179 D(1616,1614,1617,1620-105.5606 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 306 maximum allowed number of steps= 306. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Fri Nov 6 17:05:22 2009, MaxMem= 393216000 cpu: 0.0 (Enter XXXXXXX/x86_64/g09a02/g09/l202.exe) Symmetry turned off by external request. Stoichiometry Framework group PRSFWG-- UNABLE TO FIND LEFT SQUARE BRACKET. NUMDOF-- UNRECOGNIZED SYMMETRIC SUBSPACE, ICHAR= E " Deg. of freedom -1 Full point group NOp 0 Z-Matrix orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 7 20001020 41.507000 23.202000 52.275000 2 1 20001029 40.560000 22.841000 52.249000 3 1 20001029 41.687000 23.653000 51.384000 4 1 20001029 41.559000 23.902000 53.006000 5 6 20001001 42.490000 22.115000 52.511000 6 1 20001038 42.377000 21.793000 53.546000 7 6 20001001 42.207000 20.897000 51.605000 8 1 20001034 42.875000 20.087000 51.897000 9 1 20001034 41.186000 20.562000 51.790000 10 6 20001001 42.384000 21.151000 50.096000 11 1 20001034 41.676000 21.906000 49.762000 12 1 20001034 43.392000 21.520000 49.916000 13 6 20001001 42.180000 19.886000 49.249000 14 1 20001034 42.584000 20.065000 48.250000 15 1 20001034 42.734000 19.064000 49.698000 16 6 20001001 40.698000 19.515000 49.121000 17 1 20001038 40.248000 19.462000 50.116000 18 1 20001038 40.190000 20.309000 48.565000 19 7 20001020 40.518000 18.220000 48.426000 20 1 20001029 40.883000 17.447000 48.979000 21 1 20001029 39.534000 18.043000 48.246000 22 1 20001029 41.008000 18.201000 47.530000 23 6 20001002 43.921000 22.648000 52.362000 24 8 20001024 44.090000 23.607000 51.612000 25 7 20001014 44.936000 22.076000 53.043000 26 6 20001001 44.826000 20.973000 53.991000 27 1 20001035 44.423000 20.075000 53.524000 28 1 20001035 44.198000 21.278000 54.831000 29 6 20001001 46.247000 20.707000 54.489000 30 1 20001034 46.750000 20.010000 53.819000 31 1 20001034 46.254000 20.333000 55.513000 32 6 20001001 46.910000 22.076000 54.379000 33 1 20001034 47.996000 21.998000 54.305000 34 1 20001034 46.634000 22.682000 55.244000 35 6 20001001 46.275000 22.670000 53.118000 36 1 20001035 46.188000 23.749000 53.251000 37 6 20001002 47.155000 22.432000 51.883000 38 8 20001024 48.162000 23.116000 51.736000 39 7 20001014 46.797000 21.503000 50.987000 40 1 20001029 45.969000 20.949000 51.150000 41 6 20001001 47.519000 21.252000 49.729000 42 1 20001035 48.072000 22.150000 49.451000 43 6 20001001 48.518000 20.082000 49.892000 44 1 20001034 47.957000 19.154000 50.019000 45 1 20001034 49.105000 20.000000 48.976000 46 6 20001001 49.480000 20.234000 51.083000 47 1 20001034 49.973000 21.204000 51.022000 48 1 20001034 48.898000 20.190000 52.004000 49 6 20001001 50.557000 19.138000 51.131000 50 1 20001034 50.143000 18.194000 50.775000 51 1 20001034 51.386000 19.419000 50.480000 52 6 20001001 51.039000 18.962000 52.579000 53 1 20001038 51.419000 19.915000 52.958000 54 1 20001038 50.183000 18.679000 53.198000 55 7 20001020 52.083000 17.921000 52.712000 56 1 20001029 52.337000 17.790000 53.690000 57 1 20001029 51.764000 17.016000 52.371000 58 1 20001029 52.916000 18.155000 52.196000 59 6 20001002 46.525000 20.941000 48.598000 60 8 20001024 45.479000 20.336000 48.844000 61 7 20001014 46.848000 21.318000 47.358000 62 1 20001029 47.713000 21.817000 47.211000 63 6 20001001 46.044000 20.959000 46.181000 64 1 20001035 45.011000 21.273000 46.351000 65 6 20001001 46.577000 21.719000 44.953000 66 1 20001034 47.630000 21.476000 44.804000 67 1 20001034 46.035000 21.380000 44.070000 68 6 20001010 46.432000 23.210000 45.028000 69 6 20001007 47.380000 24.075000 45.456000 70 1 20001039 48.374000 23.799000 45.786000 71 7 20001015 46.871000 25.359000 45.452000 72 1 20001029 47.353000 26.169000 45.839000 73 6 20001011 45.569000 25.391000 45.013000 74 6 20001003 44.636000 26.428000 44.870000 75 1 20001033 44.915000 27.440000 45.123000 76 6 20001003 43.347000 26.128000 44.399000 77 1 20001033 42.614000 26.914000 44.278000 78 6 20001003 43.019000 24.801000 44.071000 79 1 20001033 42.033000 24.571000 43.690000 80 6 20001003 43.963000 23.768000 44.226000 81 1 20001033 43.692000 22.757000 43.969000 82 6 20001009 45.262000 24.031000 44.712000 83 6 20001002 46.033000 19.434000 45.948000 84 8 20001024 47.009000 18.743000 46.249000 85 7 20001014 44.957000 18.904000 45.366000 86 1 20001029 44.181000 19.530000 45.154000 87 6 20001001 44.814000 17.480000 44.999000 88 1 20001035 45.109000 16.861000 45.847000 89 6 20001001 43.337000 17.179000 44.686000 90 1 20001034 43.033000 17.765000 43.816000 91 1 20001034 43.239000 16.124000 44.428000 92 6 20001002 42.394000 17.476000 45.856000 93 8 20001025 42.595000 16.918000 46.960000 94 8 20001025 41.443000 18.276000 45.676000 95 6 20001002 45.690000 17.071000 43.793000 96 8 20001024 45.922000 15.884000 43.550000 97 7 20001014 47.710000 23.806000 37.859000 98 1 20001029 48.514000 24.191000 37.362000 99 6 20001001 46.750000 24.785000 38.403000 100 1 20001035 45.873000 24.278000 38.809000 101 6 20001001 47.445000 25.575000 39.545000 102 1 20001034 48.313000 26.063000 39.104000 103 6 20001001 46.550000 26.682000 40.131000 104 1 20001034 47.050000 27.158000 40.975000 105 1 20001034 46.351000 27.451000 39.385000 106 1 20001034 45.607000 26.260000 40.475000 107 6 20001001 47.985000 24.686000 40.695000 108 1 20001034 48.703000 23.970000 40.296000 109 1 20001034 48.536000 25.318000 41.392000 110 6 20001001 46.925000 23.915000 41.495000 111 1 20001034 46.332000 23.280000 40.841000 112 1 20001034 47.424000 23.286000 42.233000 113 1 20001034 46.267000 24.609000 42.018000 114 6 20001002 46.261000 25.712000 37.276000 115 8 20001024 47.019000 26.012000 36.347000 116 7 20001014 44.084000 29.484000 36.229000 117 1 20001029 44.423000 29.382000 35.277000 118 6 20001001 43.679000 30.820000 36.679000 119 1 20001035 43.034000 30.689000 37.542000 120 6 20001001 44.903000 31.616000 37.158000 121 1 20001034 44.549000 32.465000 37.744000 122 1 20001034 45.483000 30.992000 37.839000 123 6 20001003 45.831000 32.146000 36.080000 124 6 20001003 46.877000 31.341000 35.587000 125 1 20001033 46.981000 30.323000 35.933000 126 6 20001003 47.809000 31.873000 34.675000 127 1 20001033 48.634000 31.273000 34.320000 128 6 20001002 47.698000 33.216000 34.256000 129 8 20001022 48.642000 33.750000 33.437000 130 1 20001031 48.548000 34.711000 33.348000 131 6 20001003 46.631000 34.015000 34.726000 132 1 20001033 46.547000 35.043000 34.407000 133 6 20001003 45.700000 33.477000 35.635000 134 1 20001033 44.905000 34.100000 36.017000 135 6 20001002 42.848000 31.585000 35.640000 136 8 20001024 42.881000 31.276000 34.447000 137 7 20001014 40.971000 35.829000 34.977000 138 1 20001029 41.072000 35.639000 33.981000 139 6 20001001 40.839000 37.233000 35.425000 140 1 20001035 40.862000 37.263000 36.514000 141 6 20001001 42.017000 38.108000 34.915000 142 1 20001034 41.886000 38.269000 33.843000 143 6 20001001 41.957000 39.476000 35.628000 144 1 20001034 42.759000 40.125000 35.283000 145 1 20001034 41.019000 39.983000 35.407000 146 1 20001034 42.050000 39.346000 36.707000 147 6 20001001 43.401000 37.441000 35.131000 148 1 20001034 43.564000 37.276000 36.195000 149 1 20001034 43.416000 36.471000 34.634000 150 6 20001001 44.592000 38.233000 34.570000 151 1 20001034 45.493000 37.621000 34.633000 152 1 20001034 44.412000 38.489000 33.526000 153 1 20001034 44.756000 39.143000 35.147000 154 6 20001002 39.480000 37.803000 34.993000 155 8 20001024 39.092000 37.657000 33.835000 156 7 20001014 49.081000 44.487000 34.360000 157 1 20001029 48.475000 45.110000 33.830000 158 6 20001001 48.490000 43.721000 35.476000 159 1 20001035 49.081000 43.916000 36.373000 160 6 20001001 47.036000 44.185000 35.743000 161 1 20001034 46.516000 44.238000 34.790000 162 6 20001001 46.231000 43.236000 36.646000 163 1 20001034 46.777000 43.039000 37.567000 164 1 20001034 45.265000 43.679000 36.890000 165 1 20001034 46.046000 42.297000 36.125000 166 6 20001001 47.013000 45.593000 36.363000 167 1 20001034 47.490000 45.581000 37.341000 168 1 20001034 47.541000 46.297000 35.724000 169 1 20001034 45.983000 45.934000 36.472000 170 6 20001002 48.541000 42.209000 35.191000 171 8 20001024 48.955000 41.431000 36.048000 172 7 20001014 52.165000 41.010000 35.609000 173 1 20001029 51.397000 41.630000 35.367000 174 6 20001001 52.528000 40.877000 37.021000 175 1 20001035 53.609000 40.987000 37.120000 176 6 20001001 51.842000 42.002000 37.813000 177 1 20001034 50.760000 41.947000 37.699000 178 1 20001034 52.070000 41.903000 38.873000 179 1 20001034 52.184000 42.975000 37.461000 180 6 20001002 52.157000 39.497000 37.590000 181 8 20001024 52.975000 38.868000 38.266000 182 7 20001014 50.951000 38.998000 37.292000 183 1 20001029 50.310000 39.564000 36.748000 184 6 20001001 50.516000 37.678000 37.754000 185 1 20001035 50.678000 37.626000 38.831000 186 6 20001001 49.014000 37.489000 37.487000 187 1 20001034 48.833000 37.575000 36.414000 188 1 20001034 48.735000 36.477000 37.787000 189 6 20001003 48.111000 38.458000 38.235000 190 6 20001003 48.242000 38.624000 39.630000 191 1 20001033 48.980000 38.061000 40.182000 192 6 20001003 47.416000 39.529000 40.318000 193 1 20001033 47.531000 39.662000 41.384000 194 6 20001003 46.440000 40.261000 39.622000 195 1 20001033 45.802000 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8 20001021 41.096000 44.848000 62.654000 1775 1 20001030 42.035000 45.108000 62.506000 1776 1 20001030 40.749000 45.649000 63.074000 1777 8 20001021 51.575000 41.279000 64.242000 1778 1 20001030 52.259000 41.938000 64.512000 1779 1 20001030 51.830000 41.162000 63.297000 1780 8 20001021 64.638000 40.245000 54.943000 1781 1 20001030 63.888000 40.143000 54.307000 1782 1 20001030 65.057000 41.047000 54.539000 1783 8 20001021 40.140000 45.646000 58.306000 1784 1 20001030 40.111000 46.552000 58.718000 1785 1 20001030 40.546000 45.901000 57.439000 1786 8 20001021 37.839000 41.085000 61.421000 1787 1 20001030 37.514000 40.357000 61.999000 1788 1 20001030 37.241000 41.809000 61.720000 1789 8 20001021 40.055000 35.298000 47.537000 1790 1 20001030 40.662000 34.690000 47.057000 1791 1 20001030 40.642000 36.073000 47.642000 1792 8 20001021 53.881000 48.373000 55.354000 1793 1 20001030 54.563000 47.927000 54.809000 1794 1 20001030 54.471000 49.031000 55.819000 1795 8 20001021 57.402000 41.235000 60.517000 1796 1 20001030 57.579000 41.698000 59.655000 1797 1 20001030 57.870000 40.387000 60.324000 1798 8 20001021 40.601000 41.107000 60.905000 1799 1 20001030 39.674000 41.192000 61.236000 1800 1 20001030 40.700000 42.031000 60.540000 1801 8 20001021 49.619000 41.418000 69.335000 1802 1 20001030 49.137000 40.738000 68.802000 1803 1 20001030 50.523000 41.031000 69.293000 1804 8 20001021 46.587000 43.200000 61.487000 1805 1 20001030 46.908000 42.324000 61.176000 1806 1 20001030 45.724000 42.926000 61.884000 1807 8 20001021 57.699000 33.347000 55.364000 1808 1 20001030 58.343000 33.198000 56.084000 1809 1 20001030 58.317000 33.511000 54.609000 1810 8 20001021 62.492000 38.607000 41.320000 1811 1 20001030 62.883000 37.772000 40.985000 1812 1 20001030 62.811000 38.594000 42.245000 1813 8 20001021 50.544000 44.566000 59.172000 1814 1 20001030 50.331000 43.756000 59.676000 1815 1 20001030 50.067000 44.388000 58.334000 1816 8 20001021 46.693000 28.708000 52.999000 1817 1 20001030 47.530000 29.091000 53.356000 1818 1 20001030 46.807000 28.937000 52.049000 1819 8 20001021 52.223000 38.175000 60.904000 1820 1 20001030 51.844000 37.633000 61.642000 1821 1 20001030 53.005000 37.615000 60.689000 1822 8 20001021 35.858000 38.186000 52.196000 1823 1 20001030 35.875000 37.217000 52.374000 1824 1 20001030 36.541000 38.476000 52.838000 1825 8 20001021 54.897000 40.600000 61.464000 1826 1 20001030 55.736000 40.898000 61.043000 1827 1 20001030 55.261000 40.200000 62.286000 1828 8 20001021 44.806000 29.686000 54.753000 1829 1 20001030 45.430000 29.304000 54.094000 1830 1 20001030 45.375000 30.434000 55.082000 1831 8 20001021 42.197000 31.420000 56.660000 1832 1 20001030 42.906000 32.017000 56.315000 1833 1 20001030 42.645000 31.089000 57.469000 1834 8 20001021 52.221000 40.792000 61.603000 1835 1 20001030 52.126000 39.842000 61.318000 1836 1 20001030 53.211000 40.855000 61.503000 1837 8 20001021 49.135000 38.094000 65.800000 1838 1 20001030 48.679000 37.808000 64.968000 1839 1 20001030 49.986000 38.404000 65.406000 1840 8 20001021 35.514000 39.272000 49.709000 1841 1 20001030 34.770000 39.916000 49.688000 1842 1 20001030 35.482000 39.016000 50.665000 1843 8 20001021 42.287000 30.298000 54.059000 1844 1 20001030 41.960000 30.644000 54.916000 1845 1 20001030 43.206000 30.054000 54.323000 1846 8 20001021 49.478000 32.544000 62.809000 1847 1 20001030 48.790000 32.086000 63.362000 1848 1 20001030 49.525000 31.878000 62.075000 1849 8 20001021 37.586000 33.417000 52.663000 1850 1 20001030 37.061000 33.363000 51.828000 1851 1 20001030 38.466000 33.629000 52.291000 1852 8 20001021 42.857000 42.069000 66.873000 1853 1 20001030 42.711000 42.407000 65.961000 1854 1 20001030 42.666000 42.891000 67.385000 1855 8 20001021 46.205000 36.914000 60.357000 1856 1 20001030 45.947000 37.839000 60.101000 1857 1 20001030 45.895000 36.931000 61.292000 1858 8 20001021 40.436000 38.627000 54.300000 1859 1 20001030 40.311000 39.587000 54.151000 1860 1 20001030 39.501000 38.327000 54.279000 1861 8 20001021 52.058000 48.243000 57.487000 1862 1 20001030 51.299000 47.729000 57.104000 1863 1 20001030 52.669000 48.208000 56.712000 1864 8 20001021 37.478000 34.459000 47.976000 1865 1 20001030 37.196000 35.358000 48.256000 1866 1 20001030 38.433000 34.645000 47.790000 1867 8 20001021 37.946000 42.644000 55.141000 1868 1 20001030 37.599000 42.376000 56.022000 1869 1 20001030 37.135000 43.003000 54.732000 1870 8 20001021 64.311000 37.760000 57.660000 1871 1 20001030 64.814000 37.119000 58.220000 1872 1 20001030 63.397000 37.560000 57.987000 1873 8 20001021 51.984000 47.475000 62.330000 1874 1 20001030 51.182000 48.008000 62.118000 1875 1 20001030 52.148000 47.087000 61.435000 1876 8 20001021 38.793000 34.382000 64.426000 1877 1 20001030 39.032000 33.621000 65.002000 1878 1 20001030 38.943000 33.979000 63.545000 1879 8 20001021 36.169000 33.634000 50.365000 1880 1 20001030 36.645000 33.710000 49.508000 1881 1 20001030 35.527000 34.364000 50.274000 1882 8 20001021 37.909000 39.770000 59.059000 1883 1 20001030 37.867000 40.360000 59.860000 1884 1 20001030 38.698000 39.235000 59.332000 1885 8 20001021 58.757000 32.989000 66.557000 1886 1 20001030 58.146000 33.695000 66.879000 1887 1 20001030 58.974000 33.351000 65.671000 1888 8 20001021 52.304000 32.588000 62.541000 1889 1 20001030 51.336000 32.715000 62.613000 1890 1 20001030 52.396000 32.540000 61.561000 1891 8 20001021 63.840000 34.392000 55.976000 1892 1 20001030 64.545000 35.076000 55.865000 1893 1 20001030 63.329000 34.567000 55.152000 1894 8 20001021 48.457000 44.122000 63.196000 1895 1 20001030 47.810000 43.748000 62.557000 1896 1 20001030 48.574000 43.356000 63.794000 1897 8 20001021 39.411000 38.164000 63.057000 1898 1 20001030 39.415000 37.331000 63.558000 1899 1 20001030 38.439000 38.307000 62.956000 1900 8 20001021 42.082000 42.641000 64.259000 1901 1 20001030 41.502000 43.286000 63.805000 1902 1 20001030 41.555000 41.818000 64.141000 1903 8 20001021 44.383000 38.007000 68.482000 1904 1 20001030 44.584000 38.965000 68.601000 1905 1 20001030 43.396000 38.073000 68.393000 1906 8 20001021 46.689000 41.047000 66.305000 1907 1 20001030 46.361000 40.178000 65.970000 1908 1 20001030 47.414000 41.211000 65.661000 1909 8 20001021 47.544000 34.551000 62.697000 1910 1 20001030 48.278000 33.930000 62.512000 1911 1 20001030 47.011000 34.432000 61.875000 1912 8 20001021 39.324000 32.979000 61.986000 1913 1 20001030 38.681000 32.230000 61.951000 1914 1 20001030 39.133000 33.383000 61.104000 1915 8 20001021 45.990000 46.442000 65.886000 1916 1 20001030 46.418000 46.537000 65.003000 1917 1 20001030 45.996000 45.463000 65.969000 1918 8 20001021 38.383000 32.939000 55.270000 1919 1 20001030 38.185000 33.026000 54.310000 1920 1 20001030 37.458000 32.884000 55.615000 1921 8 20001021 49.861000 49.045000 61.481000 1922 1 20001030 50.111000 50.002000 61.442000 1923 1 20001030 49.545000 48.917000 60.570000 1924 8 20001021 39.238000 26.624000 61.862000 1925 1 20001030 38.523000 27.299000 61.777000 1926 1 20001030 39.590000 26.644000 60.944000 1927 8 20001021 35.825000 33.108000 56.053000 1928 1 20001030 35.293000 33.371000 55.261000 1929 1 20001030 35.103000 32.943000 56.690000 1930 8 20001021 54.228000 29.778000 56.349000 1931 1 20001030 55.071000 30.234000 56.138000 1932 1 20001030 53.653000 30.547000 56.547000 1933 8 20001021 43.758000 36.517000 57.045000 1934 1 20001030 44.524000 35.905000 57.087000 1935 1 20001030 44.019000 37.188000 57.692000 1936 8 20001021 39.360000 26.608000 50.547000 1937 1 20001030 38.976000 25.969000 49.904000 1938 1 20001030 40.234000 26.766000 50.133000 1939 8 20001021 47.680000 33.090000 68.492000 1940 1 20001030 47.047000 32.459000 68.918000 1941 1 20001030 48.479000 32.498000 68.490000 1942 8 20001021 38.728000 33.870000 59.450000 1943 1 20001030 39.223000 33.508000 58.674000 1944 1 20001030 38.841000 34.832000 59.265000 1945 8 20001021 56.721000 30.872000 55.908000 1946 1 20001030 56.920000 31.813000 55.662000 1947 1 20001030 57.601000 30.480000 55.692000 1948 8 20001021 41.853000 26.248000 57.247000 1949 1 20001030 42.396000 25.464000 57.514000 1950 1 20001030 42.589000 26.878000 57.051000 1951 8 20001021 45.504000 39.451000 59.969000 1952 1 20001030 44.718000 39.891000 60.354000 1953 1 20001030 46.195000 40.117000 60.151000 1954 8 20001021 59.309000 29.483000 63.127000 1955 1 20001030 58.436000 29.310000 63.558000 1956 1 20001030 59.002000 30.081000 62.400000 1957 8 20001021 41.677000 34.122000 66.286000 1958 1 20001030 42.413000 33.472000 66.208000 1959 1 20001030 40.913000 33.493000 66.238000 1960 8 20001021 51.644000 38.670000 65.053000 1961 1 20001030 51.674000 39.618000 64.777000 1962 1 20001030 52.231000 38.718000 65.845000 1963 8 20001021 37.754000 37.850000 54.352000 1964 1 20001030 37.730000 37.757000 55.333000 1965 1 20001030 37.301000 37.012000 54.100000 1966 8 20001021 41.014000 40.115000 64.108000 1967 1 20001030 40.325000 39.516000 63.725000 1968 1 20001030 41.816000 39.595000 63.846000 1969 8 20001021 36.314000 33.787000 45.211000 1970 1 20001030 36.767000 33.035000 44.764000 1971 1 20001030 36.731000 33.738000 46.094000 1972 8 20001021 45.825000 33.254000 64.384000 1973 1 20001030 46.438000 33.829000 63.853000 1974 1 20001030 46.361000 32.415000 64.334000 1975 8 20001021 58.214000 42.355000 58.218000 1976 1 20001030 58.223000 42.600000 57.265000 1977 1 20001030 59.180000 42.317000 58.385000 1978 8 20001021 35.553000 35.831000 60.247000 1979 1 20001030 35.525000 36.815000 60.278000 1980 1 20001030 35.882000 35.711000 59.326000 1981 8 20001021 48.963000 42.014000 64.957000 1982 1 20001030 49.871000 41.693000 64.758000 1983 1 20001030 49.180000 42.760000 65.563000 1984 8 20001021 37.590000 44.759000 57.999000 1985 1 20001030 38.544000 44.999000 58.085000 1986 1 20001030 37.661000 43.783000 57.993000 1987 8 20001021 63.839000 41.525000 49.497000 1988 1 20001030 64.468000 42.276000 49.576000 1989 1 20001030 63.102000 41.847000 50.045000 1990 8 20001021 44.738000 40.733000 68.322000 1991 1 20001030 43.988000 41.180000 67.851000 1992 1 20001030 45.452000 40.912000 67.668000 1993 8 20001021 64.168000 33.926000 58.666000 1994 1 20001030 63.449000 34.476000 59.053000 1995 1 20001030 63.966000 34.036000 57.708000 1996 8 20001021 48.046000 37.217000 63.484000 1997 1 20001030 47.143000 37.443000 63.194000 1998 1 20001030 48.072000 36.265000 63.240000 1999 8 20001021 43.285000 48.052000 62.702000 2000 1 20001030 42.379000 48.121000 63.069000 2001 1 20001030 43.375000 47.080000 62.629000 2002 8 20001021 36.872000 25.329000 53.257000 2003 1 20001030 36.682000 25.532000 54.199000 2004 1 20001030 36.869000 26.239000 52.883000 2005 8 20001021 42.108000 36.242000 64.470000 2006 1 20001030 41.811000 35.629000 65.178000 2007 1 20001030 42.663000 35.621000 63.942000 2008 8 20001021 52.990000 50.424000 53.485000 2009 1 20001030 53.180000 49.746000 54.158000 2010 1 20001030 52.132000 50.771000 53.807000 2011 8 20001021 44.150000 27.678000 56.569000 2012 1 20001030 44.185000 28.537000 56.084000 2013 1 20001030 44.723000 27.145000 55.962000 2014 8 20001021 47.290000 46.574000 63.457000 2015 1 20001030 46.813000 46.435000 62.604000 2016 1 20001030 47.864000 45.765000 63.440000 2017 8 20001021 51.941000 39.918000 69.502000 2018 1 20001030 52.579000 40.335000 70.126000 2019 1 20001030 51.374000 39.437000 70.151000 2020 8 20001021 52.461000 27.777000 56.436000 2021 1 20001030 53.054000 27.099000 56.020000 2022 1 20001030 53.115000 28.517000 56.504000 2023 8 20001021 50.113000 42.399000 60.945000 2024 1 20001030 50.915000 41.850000 61.125000 2025 1 20001030 50.157000 43.019000 61.694000 2026 8 20001021 59.671000 39.879000 64.209000 2027 1 20001030 59.238000 39.251000 63.585000 2028 1 20001030 59.123000 39.686000 65.014000 2029 8 20001021 58.375000 45.712000 62.249000 2030 1 20001030 58.308000 44.727000 62.202000 2031 1 20001030 58.969000 45.787000 63.035000 2032 8 20001021 58.106000 42.998000 62.483000 2033 1 20001030 57.848000 42.392000 61.744000 2034 1 20001030 57.318000 42.864000 63.066000 2035 8 20001021 57.588000 33.161000 62.593000 2036 1 20001030 57.892000 32.445000 61.990000 2037 1 20001030 56.660000 32.858000 62.748000 2038 8 20001021 49.651000 23.223000 62.035000 2039 1 20001030 49.552000 22.825000 62.925000 2040 1 20001030 50.139000 24.050000 62.279000 2041 8 20001021 39.142000 22.605000 50.717000 2042 1 20001030 38.808000 23.328000 50.150000 2043 1 20001030 38.492000 21.901000 50.505000 2044 8 20001021 59.603000 34.065000 64.101000 2045 1 20001030 58.855000 33.731000 63.532000 2046 1 20001030 60.295000 34.115000 63.383000 2047 8 20001021 43.770000 34.591000 63.113000 2048 1 20001030 44.390000 33.937000 63.505000 2049 1 20001030 43.130000 33.970000 62.684000 2050 8 20001021 64.122000 36.322000 61.942000 2051 1 20001030 64.615000 35.497000 62.128000 2052 1 20001030 63.558000 36.016000 61.190000 2053 8 20001021 53.492000 22.680000 61.643000 2054 1 20001030 54.328000 22.323000 61.270000 2055 1 20001030 53.204000 23.241000 60.882000 2056 8 20001021 61.329000 28.064000 62.087000 2057 1 20001030 61.515000 28.710000 61.344000 2058 1 20001030 60.568000 28.558000 62.495000 2059 8 20001021 43.324000 30.856000 59.170000 2060 1 20001030 43.498000 31.805000 59.370000 2061 1 20001030 43.827000 30.444000 59.913000 2062 8 20001021 49.531000 24.220000 57.729000 2063 1 20001030 49.061000 24.268000 58.590000 2064 1 20001030 50.245000 24.882000 57.894000 2065 8 20001021 56.406000 25.804000 60.024000 2066 1 20001030 55.996000 26.690000 60.058000 2067 1 20001030 56.002000 25.460000 59.190000 2068 8 20001021 53.717000 28.079000 65.132000 2069 1 20001030 54.398000 27.616000 64.591000 2070 1 20001030 53.918000 27.657000 66.011000 2071 8 20001021 51.216000 29.313000 62.642000 2072 1 20001030 51.961000 29.002000 62.074000 2073 1 20001030 50.617000 29.669000 61.954000 2074 8 20001021 60.339000 35.871000 67.766000 2075 1 20001030 59.602000 35.945000 67.120000 2076 1 20001030 60.951000 35.300000 67.240000 2077 8 20001021 56.150000 27.648000 57.462000 2078 1 20001030 56.006000 26.670000 57.431000 2079 1 20001030 55.482000 27.942000 56.817000 2080 8 20001021 56.944000 30.770000 58.682000 2081 1 20001030 56.609000 30.650000 57.763000 2082 1 20001030 57.738000 31.325000 58.474000 2083 8 20001021 50.420000 36.307000 67.357000 2084 1 20001030 51.188000 36.167000 66.774000 2085 1 20001030 49.943000 37.008000 66.853000 2086 8 20001021 44.129000 24.313000 54.842000 2087 1 20001030 43.217000 24.674000 54.864000 2088 1 20001030 44.652000 25.136000 54.800000 2089 8 20001021 55.997000 39.699000 63.787000 2090 1 20001030 56.791000 39.140000 63.677000 2091 1 20001030 55.812000 39.549000 64.745000 2092 8 20001021 36.172000 33.176000 60.212000 2093 1 20001030 35.885000 34.076000 60.502000 2094 1 20001030 37.055000 33.411000 59.837000 2095 8 20001021 42.523000 28.297000 64.744000 2096 1 20001030 43.008000 27.441000 64.679000 2097 1 20001030 42.603000 28.459000 65.712000 2098 8 20001021 39.579000 25.296000 52.913000 2099 1 20001030 38.618000 25.141000 53.058000 2100 1 20001030 39.535000 25.814000 52.075000 2101 8 20001021 45.962000 27.362000 58.744000 2102 1 20001030 46.019000 26.419000 58.467000 2103 1 20001030 45.229000 27.657000 58.160000 2104 8 20001021 46.536000 30.945000 69.830000 2105 1 20001030 46.421000 31.158000 70.788000 2106 1 20001030 47.280000 30.299000 69.909000 2107 8 20001021 47.812000 38.125000 70.295000 2108 1 20001030 47.913000 38.586000 69.429000 2109 1 20001030 47.594000 37.219000 69.969000 2110 8 20001021 36.307000 35.706000 53.451000 2111 1 20001030 35.502000 35.184000 53.704000 2112 1 20001030 36.886000 34.947000 53.187000 2113 8 20001021 41.179000 29.244000 59.707000 2114 1 20001030 41.941000 29.773000 59.368000 2115 1 20001030 40.579000 29.959000 59.974000 2116 8 20001021 41.740000 38.302000 68.348000 2117 1 20001030 41.346000 39.024000 67.797000 2118 1 20001030 41.171000 37.553000 68.042000 2119 8 20001021 56.916000 43.439000 66.388000 2120 1 20001030 56.682000 42.949000 65.558000 2121 1 20001030 56.630000 44.344000 66.093000 2122 8 20001021 41.961000 22.348000 56.493000 2123 1 20001030 41.584000 22.078000 57.360000 2124 1 20001030 42.612000 23.018000 56.799000 2125 8 20001021 62.627000 43.697000 57.240000 2126 1 20001030 61.976000 43.140000 57.716000 2127 1 20001030 62.115000 43.901000 56.427000 2128 8 20001021 42.990000 38.476000 63.234000 2129 1 20001030 42.544000 37.718000 63.701000 2130 1 20001030 43.893000 38.091000 63.165000 2131 8 20001021 49.589000 26.561000 60.443000 2132 1 20001030 50.113000 26.262000 61.223000 2133 1 20001030 49.040000 25.760000 60.298000 2134 8 20001021 54.324000 26.107000 55.513000 2135 1 20001030 54.885000 25.778000 54.786000 2136 1 20001030 54.739000 25.639000 56.279000 2137 8 20001021 48.072000 24.296000 60.102000 2138 1 20001030 48.591000 23.735000 60.736000 2139 1 20001030 47.304000 24.501000 60.699000 2140 8 20001021 51.434000 26.062000 58.303000 2141 1 20001030 51.013000 26.641000 58.968000 2142 1 20001030 51.765000 26.741000 57.667000 2143 8 20001021 54.328000 31.904000 67.247000 2144 1 20001030 55.082000 32.128000 67.846000 2145 1 20001030 53.711000 32.631000 67.513000 2146 8 20001021 43.748000 32.188000 65.909000 2147 1 20001030 44.177000 31.572000 66.544000 2148 1 20001030 44.543000 32.567000 65.476000 2149 8 20001021 58.323000 30.335000 66.695000 2150 1 20001030 59.242000 30.165000 66.379000 2151 1 20001030 58.337000 31.325000 66.672000 2152 8 20001021 63.444000 32.261000 62.360000 2153 1 20001030 63.852000 31.523000 62.872000 2154 1 20001030 63.580000 31.910000 61.445000 2155 8 20001021 65.402000 39.367000 49.675000 2156 1 20001030 64.786000 40.121000 49.482000 2157 1 20001030 64.870000 38.927000 50.384000 2158 8 20001021 49.357000 30.585000 60.911000 2159 1 20001030 48.723000 29.831000 60.773000 2160 1 20001030 48.824000 31.290000 60.446000 2161 8 20001021 64.027000 31.452000 59.871000 2162 1 20001030 64.174000 32.276000 59.351000 2163 1 20001030 64.958000 31.152000 59.977000 2164 8 20001021 46.591000 28.923000 62.889000 2165 1 20001030 47.010000 28.727000 62.015000 2166 1 20001030 46.726000 28.050000 63.327000 2167 8 20001021 48.013000 25.254000 55.669000 2168 1 20001030 48.586000 25.550000 54.929000 2169 1 20001030 48.686000 24.836000 56.250000 2170 8 20001021 39.940000 26.904000 59.143000 2171 1 20001030 40.356000 27.793000 59.286000 2172 1 20001030 40.571000 26.563000 58.458000 2173 8 20001021 39.472000 27.115000 43.991000 2174 1 20001030 39.994000 27.712000 44.599000 2175 1 20001030 39.693000 26.256000 44.437000 2176 8 20001021 37.830000 24.825000 49.107000 2177 1 20001030 37.005000 24.650000 49.613000 2178 1 20001030 37.448000 25.098000 48.246000 2179 8 20001021 53.095000 23.531000 64.281000 2180 1 20001030 53.966000 23.886000 64.579000 2181 1 20001030 53.276000 23.445000 63.317000 2182 8 20001021 51.343000 36.821000 63.026000 2183 1 20001030 51.414000 37.468000 63.760000 2184 1 20001030 50.848000 36.102000 63.473000 2185 8 20001021 43.469000 33.507000 59.901000 2186 1 20001030 42.856000 34.100000 59.403000 2187 1 20001030 42.893000 33.303000 60.677000 2188 8 20001021 48.381000 34.721000 66.417000 2189 1 20001030 49.044000 35.217000 66.948000 2190 1 20001030 48.078000 34.076000 67.100000 2191 8 20001021 37.180000 27.673000 51.883000 2192 1 20001030 37.912000 27.323000 51.320000 2193 1 20001030 37.465000 28.596000 51.982000 2194 8 20001021 45.794000 26.527000 54.725000 2195 1 20001030 46.173000 27.160000 54.083000 2196 1 20001030 46.616000 26.080000 55.034000 2197 8 20001021 59.407000 23.333000 58.182000 2198 1 20001030 58.970000 22.759000 58.846000 2199 1 20001030 59.331000 24.205000 58.637000 2200 8 20001021 47.717000 28.496000 60.473000 2201 1 20001030 47.049000 28.145000 59.827000 2202 1 20001030 48.400000 27.786000 60.379000 2203 8 20001021 51.703000 30.012000 59.576000 2204 1 20001030 52.094000 30.908000 59.468000 2205 1 20001030 50.813000 30.253000 59.906000 2206 8 20001021 52.120000 45.368000 64.140000 2207 1 20001030 51.305000 45.727000 64.561000 2208 1 20001030 52.239000 46.043000 63.433000 2209 8 20001021 51.532000 30.856000 64.825000 2210 1 20001030 51.442000 30.236000 64.055000 2211 1 20001030 52.000000 31.590000 64.374000 2212 8 20001021 55.006000 32.494000 62.961000 2213 1 20001030 54.990000 31.781000 63.648000 2214 1 20001030 54.035000 32.581000 62.813000 2215 8 20001021 39.574000 32.424000 66.222000 2216 1 20001030 39.662000 31.443000 66.177000 2217 1 20001030 38.939000 32.490000 66.977000 2218 8 20001021 46.460000 43.816000 66.713000 2219 1 20001030 46.447000 42.848000 66.540000 2220 1 20001030 47.433000 43.976000 66.665000 2221 8 20001021 58.425000 31.022000 61.027000 2222 1 20001030 59.159000 31.011000 60.361000 2223 1 20001030 57.670000 30.877000 60.409000 2224 8 20001021 52.377000 27.932000 68.943000 2225 1 20001030 52.527000 28.418000 69.777000 2226 1 20001030 52.317000 28.704000 68.317000 2227 8 20001021 51.802000 31.832000 70.017000 2228 1 20001030 52.306000 31.107000 70.441000 2229 1 20001030 51.408000 32.256000 70.818000 2230 8 20001021 60.963000 32.538000 68.115000 2231 1 20001030 61.506000 33.102000 67.510000 2232 1 20001030 60.119000 32.551000 67.592000 2233 8 20001021 55.403000 24.451000 65.376000 2234 1 20001030 55.478000 25.387000 65.097000 2235 1 20001030 55.379000 24.559000 66.352000 2236 8 20001021 55.554000 39.455000 66.450000 2237 1 20001030 55.725000 40.184000 67.097000 2238 1 20001030 54.667000 39.168000 66.771000 2239 8 20001021 37.521000 25.916000 58.377000 2240 1 20001030 38.383000 26.308000 58.656000 2241 1 20001030 36.999000 26.050000 59.191000 2242 8 20001021 58.207000 38.853000 66.246000 2243 1 20001030 57.257000 39.010000 66.456000 2244 1 20001030 58.195000 37.877000 66.138000 2245 8 20001021 50.265000 38.778000 71.322000 2246 1 20001030 49.317000 38.615000 71.086000 2247 1 20001030 50.631000 37.895000 71.065000 2248 8 20001021 45.809000 38.479000 66.134000 2249 1 20001030 45.988000 37.560000 65.821000 2250 1 20001030 45.271000 38.269000 66.930000 2251 8 20001021 52.665000 23.776000 59.282000 2252 1 20001030 53.535000 23.683000 58.816000 2253 1 20001030 52.395000 24.659000 58.941000 2254 8 20001021 43.519000 24.229000 57.960000 2255 1 20001030 44.466000 24.345000 57.711000 2256 1 20001030 43.597000 24.372000 58.934000 2257 8 20001021 41.846000 22.934000 60.879000 2258 1 20001030 42.591000 23.567000 60.757000 2259 1 20001030 41.387000 23.340000 61.629000 2260 8 20001021 63.861000 28.043000 63.233000 2261 1 20001030 62.916000 28.140000 63.004000 2262 1 20001030 64.101000 28.979000 63.409000 2263 8 20001021 37.044000 41.994000 57.632000 2264 1 20001030 36.161000 41.943000 58.032000 2265 1 20001030 37.465000 41.193000 58.018000 2266 8 20001021 54.787000 30.616000 64.894000 2267 1 20001030 54.230000 29.815000 65.026000 2268 1 20001030 54.631000 31.069000 65.757000 2269 8 20001021 53.233000 28.380000 61.005000 2270 1 20001030 52.728000 28.901000 60.328000 2271 1 20001030 54.142000 28.499000 60.628000 2272 8 20001021 40.245000 21.617000 54.582000 2273 1 20001030 40.884000 21.909000 55.286000 2274 1 20001030 39.404000 21.853000 55.038000 2275 8 20001021 58.992000 28.199000 58.318000 2276 1 20001030 59.280000 29.129000 58.415000 2277 1 20001030 58.110000 28.312000 57.925000 2278 8 20001021 55.685000 21.620000 60.207000 2279 1 20001030 55.406000 22.176000 59.427000 2280 1 20001030 56.662000 21.779000 60.144000 2281 8 20001021 47.491000 31.191000 64.069000 2282 1 20001030 47.996000 30.819000 64.833000 2283 1 20001030 47.150000 30.348000 63.680000 2284 8 20001021 53.402000 43.172000 65.032000 2285 1 20001030 52.998000 43.999000 64.653000 2286 1 20001030 53.385000 43.424000 65.984000 2287 8 20001021 37.666000 36.121000 66.198000 2288 1 20001030 38.020000 35.506000 65.510000 2289 1 20001030 36.725000 36.147000 65.922000 2290 8 20001021 57.779000 23.439000 64.502000 2291 1 20001030 56.861000 23.575000 64.848000 2292 1 20001030 57.717000 24.029000 63.707000 2293 8 20001021 60.726000 29.787000 65.480000 2294 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67.488000 2316 1 20001030 48.581000 38.914000 67.214000 2317 8 20001021 58.939000 36.366000 65.317000 2318 1 20001030 59.194000 35.510000 64.894000 2319 1 20001030 58.754000 36.892000 64.507000 2320 8 20001021 55.942000 42.436000 64.074000 2321 1 20001030 55.016000 42.698000 64.283000 2322 1 20001030 55.818000 41.474000 63.927000 2323 8 20001021 61.546000 34.186000 62.275000 2324 1 20001030 61.807000 34.583000 61.416000 2325 1 20001030 62.185000 33.435000 62.311000 2326 8 20001021 55.650000 30.448000 70.202000 2327 1 20001030 55.569000 30.774000 71.127000 2328 1 20001030 55.804000 31.309000 69.742000 2329 8 20001021 61.720000 34.295000 66.041000 2330 1 20001030 62.420000 34.814000 65.572000 2331 1 20001030 61.143000 34.078000 65.279000 2332 8 20001021 57.075000 34.888000 67.533000 2333 1 20001030 57.307000 35.746000 67.975000 2334 1 20001030 56.248000 35.181000 67.075000 2335 8 20001021 53.423000 20.895000 57.619000 2336 1 20001030 52.536000 21.264000 57.834000 2337 1 20001030 53.973000 21.705000 57.768000 2338 8 20001021 60.485000 23.018000 61.370000 2339 1 20001030 60.260000 22.551000 62.211000 2340 1 20001030 60.344000 23.949000 61.660000 2341 8 20001021 57.940000 29.297000 69.199000 2342 1 20001030 57.953000 29.664000 68.286000 2343 1 20001030 57.040000 29.574000 69.481000 2344 8 20001021 59.042000 25.719000 59.405000 2345 1 20001030 58.085000 25.754000 59.630000 2346 1 20001030 59.142000 26.622000 59.011000 2347 8 20001021 57.044000 29.149000 64.582000 2348 1 20001030 56.242000 29.729000 64.580000 2349 1 20001030 57.445000 29.457000 65.432000 2350 8 20001021 51.071000 36.552000 69.962000 2351 1 20001030 50.732000 36.450000 69.036000 2352 1 20001030 52.038000 36.539000 69.765000 2353 8 20001021 57.502000 25.250000 62.469000 2354 1 20001030 58.451000 25.399000 62.248000 2355 1 20001030 57.113000 25.326000 61.564000 2356 8 20001021 60.213000 25.553000 62.393000 2357 1 20001030 60.532000 26.450000 62.143000 2358 1 20001030 60.525000 25.533000 63.332000 2359 8 20001021 52.360000 30.025000 67.319000 2360 1 20001030 52.035000 30.241000 66.416000 2361 1 20001030 53.095000 30.675000 67.388000 2362 8 20001021 49.583000 31.187000 68.598000 2363 1 20001030 50.470000 31.384000 68.985000 2364 1 20001030 49.322000 30.432000 69.178000 2365 8 20001021 61.898000 29.764000 60.179000 2366 1 20001030 62.666000 30.344000 59.967000 2367 1 20001030 61.221000 30.162000 59.584000 2368 8 20001021 46.223000 24.882000 62.047000 2369 1 20001030 46.601000 25.526000 62.691000 2370 1 20001030 45.775000 24.274000 62.687000 2371 8 20001021 56.151000 32.847000 69.078000 2372 1 20001030 56.536000 33.564000 68.517000 2373 1 20001030 56.474000 33.161000 69.961000 2374 8 20001021 44.468000 35.431000 69.475000 2375 1 20001030 44.486000 36.385000 69.216000 2376 1 20001030 43.744000 35.115000 68.909000 2377 8 20001021 47.201000 35.534000 69.631000 2378 1 20001030 47.403000 34.670000 69.198000 2379 1 20001030 46.215000 35.475000 69.639000 2380 8 20001021 54.329000 26.768000 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46.599000 26.126000 64.859000 2403 1 20001030 47.997000 26.616000 64.654000 2404 8 20001021 51.141000 27.439000 64.548000 2405 1 20001030 52.067000 27.624000 64.850000 2406 1 20001030 51.079000 28.139000 63.848000 2407 8 20001021 53.521000 26.083000 62.380000 2408 1 20001030 53.432000 26.905000 61.843000 2409 1 20001030 54.362000 26.271000 62.841000 2410 8 20001021 49.102000 30.451000 66.077000 2411 1 20001030 49.333000 30.765000 66.989000 2412 1 20001030 49.988000 30.560000 65.655000 2413 8 20001021 42.497000 29.143000 67.340000 2414 1 20001030 43.378000 29.570000 67.458000 2415 1 20001030 42.223000 29.091000 68.289000 2416 8 20001021 51.275000 21.099000 61.475000 2417 1 20001030 50.672000 21.880000 61.462000 2418 1 20001030 52.135000 21.576000 61.591000 2419 8 20001021 55.802000 26.803000 63.895000 2420 1 20001030 56.462000 26.272000 63.382000 2421 1 20001030 56.361000 27.595000 64.089000 2422 8 20001021 53.192000 29.694000 71.136000 2423 1 20001030 53.610000 30.121000 71.931000 2424 1 20001030 53.998000 29.696000 70.554000 2425 8 20001021 50.913000 23.831000 65.938000 2426 1 20001030 51.040000 24.635000 66.493000 2427 1 20001030 51.723000 23.890000 65.378000 2428 8 20001021 46.246000 24.791000 57.816000 2429 1 20001030 46.901000 24.418000 58.434000 2430 1 20001030 46.786000 24.870000 57.001000 2431 8 20001021 48.696000 29.223000 70.291000 2432 1 20001030 48.334000 28.311000 70.384000 2433 1 20001030 49.438000 29.156000 70.944000 2434 8 20001021 49.106000 26.822000 66.152000 2435 1 20001030 49.630000 26.364000 66.851000 2436 1 20001030 49.861000 27.102000 65.568000 2437 8 20001021 50.953000 21.905000 58.242000 2438 1 20001030 51.488000 22.513000 58.811000 2439 1 20001030 50.343000 22.572000 57.847000 2440 8 20001021 44.299000 29.811000 61.554000 2441 1 20001030 43.791000 30.204000 62.300000 2442 1 20001030 45.121000 29.556000 62.031000 2443 8 20001021 42.029000 32.828000 62.075000 2444 1 20001030 42.173000 32.016000 62.616000 2445 1 20001030 41.043000 32.874000 62.115000 2446 8 20001021 47.286000 28.639000 67.064000 2447 1 20001030 47.840000 27.882000 66.735000 2448 1 20001030 47.874000 29.376000 66.760000 2449 8 20001021 55.639000 28.611000 59.849000 2450 1 20001030 55.804000 28.252000 58.934000 2451 1 20001030 56.054000 29.497000 59.723000 2452 8 20001021 52.511000 21.066000 65.077000 2453 1 20001030 53.373000 20.602000 64.943000 2454 1 20001030 52.781000 21.974000 64.790000 2455 8 20001021 39.908000 27.649000 64.380000 2456 1 20001030 39.748000 27.354000 63.457000 2457 1 20001030 40.871000 27.848000 64.328000 2458 8 20001021 40.202000 33.183000 57.212000 2459 1 20001030 39.559000 33.097000 56.458000 2460 1 20001030 40.819000 32.452000 56.961000 2461 8 20001021 50.919000 25.514000 62.611000 2462 1 20001030 51.904000 25.557000 62.467000 2463 1 20001030 50.875000 26.093000 63.412000 2464 8 20001021 49.895000 21.785000 64.506000 2465 1 20001030 50.129000 22.604000 65.018000 2466 1 20001030 50.771000 21.325000 64.580000 2467 8 20001021 43.785000 24.859000 60.608000 2468 1 20001030 44.664000 24.934000 61.042000 2469 1 20001030 43.497000 25.808000 60.680000 2470 8 20001021 42.663000 20.563000 44.795000 2471 1 20001030 42.029000 19.874000 45.071000 2472 1 20001030 42.201000 20.938000 44.015000 2473 8 20001021 49.334000 19.308000 44.846000 2474 1 20001030 48.986000 19.577000 43.972000 2475 1 20001030 48.510000 19.156000 45.341000 2476 8 20001021 41.585000 25.100000 54.667000 2477 1 20001030 41.407000 25.538000 55.523000 2478 1 20001030 40.761000 25.325000 54.178000 2479 8 20001021 43.046000 27.440000 60.803000 2480 1 20001030 42.290000 27.933000 60.422000 2481 1 20001030 43.621000 28.192000 61.067000 2482 8 20001021 42.830000 30.775000 63.682000 2483 1 20001030 43.050000 31.231000 64.525000 2484 1 20001030 42.649000 29.868000 64.033000 2485 8 20001021 36.837000 38.724000 62.496000 2486 1 20001030 36.063000 38.480000 63.064000 2487 1 20001030 36.438000 38.517000 61.615000 2488 8 20001021 40.275000 36.122000 67.667000 2489 1 20001030 40.745000 35.403000 67.188000 2490 1 20001030 39.414000 36.105000 67.199000 2491 8 20001021 33.941000 32.494000 51.692000 2492 1 20001030 34.826000 32.555000 51.267000 2493 1 20001030 33.510000 33.273000 51.279000 --------------------------------------------------------------------- Rotational constants (GHZ): 0.0002426 0.0002144 0.0002024 Leave Link 202 at Fri Nov 6 17:05:22 2009, MaxMem= 393216000 cpu: 0.1 (Enter XXXXXXX/x86_64/g09a02/g09/l120.exe) ONIOM: Cut between C /H 1021 and C 1024 factor= 0.723886 0.723886 ONIOM: Cut between C /H 1038 and C 1041 factor= 0.723886 0.723886 ONIOM: Cut between C /H 1080 and C 1083 factor= 0.723886 0.723886 ONIOM: Cut between C /H 1165 and C 1168 factor= 0.723886 0.723886 ONIOM: Cut between C /H 1620 and S 1617 factor= 0.761575 0.761575 ONIOM: saving gridpoint 17 ONIOM: generating point 3 -- low level on real system. Leave Link 120 at Fri Nov 6 17:05:23 2009, MaxMem= 393216000 cpu: 0.0 (Enter XXXXXXX/x86_64/g09a02/g09/l301.exe) Standard basis: Dummy (5D, 7F) The combination of multiplicity 1 and 3505 electrons is impossible. Error termination via Lnk1e in XXXXXXX/x86_64/g09a02/g09/l301.exe at Fri Nov 6 17:05:23 2009. Job cpu time: 0 days 0 hours 0 minutes 2.1 seconds. File lengths (MBytes): RWF= 52 Int= 0 D2E= 0 Chk= 1 Scr= 1