;by Peter Hardman, Surface Science Centre, Manchester University
C = 1 (1.,1.,1.)
O = 1.36 (1.,0.,0.)
B = .76  (1.,0.,1.)
S = 1.24  (.5,0.,1.)
U = 0.70 (1.,1.,0.)
; 
; Using U for copper and C for calcium
; Structure of BISCO super conductor showing layer structure.
;
 C: 15.260100    8.387924   -3.675522 
 S:  11.912079    8.387970   -3.675507 
 S:  18.608124    8.387863   -3.675537 
 B:   6.036972    8.388062   -3.675476 
 B:  24.483231    8.387787   -3.675552 
 B:   7.077698    8.388046   -3.675491 
 B:  23.442505    8.387802   -3.675552 
 U:   1.660400    8.388123   -3.675461 
 U:  28.859802    8.387726   -3.675568 
 O:    1.660370    6.546066   -4.168945  
 O:  28.859772    6.545670   -4.169052  
 O:  1.660385    7.467117   -3.922226  
 O:   28.859787    7.466721   -3.922333  
 O:   3.815109    8.388092   -3.675476  
 O:  26.705093    8.387741   -3.675568  
 O:   9.003510    8.388016   -3.675491  
 O:   21.516693    8.387817   -3.675552  
 O:   7.630081    6.545975   -4.168976  
 O:   7.630112    7.894500   -1.833435  
 C:  -15.259888    8.388367   -3.675400 
 S:  -18.607925    8.388428   -3.675385 
 S:  -11.911850    8.388321   -3.675415 
 B:  -24.483017    8.388504   -3.675369 
 B:   -6.036743    8.388229   -3.675430 
 B:  -23.442291    8.388489   -3.675369 
 B:   -7.077469    8.388245   -3.675430 
 U:  -28.859604    8.388580   -3.675339 
 U:   -1.660172    8.388184   -3.675446 
 O:  -28.859634    6.546524   -4.168823  
 O:   -1.660202    6.546127   -4.168930  
 O:  -28.859619    7.467575   -3.922104  
 O:   -1.660187    7.467178   -3.922211  
 O:  -26.704895    8.388550   -3.675354  
 O:   -3.814896    8.388200   -3.675446  
 O:  -21.516495    8.388474   -3.675369  
 O:   -9.003281    8.388275   -3.675415  
 O:  -22.889923    6.546432   -4.168854  
 O:  -22.889893    7.894958   -1.833313  
 C:   15.260100    7.400925    0.008591 
 S:   11.912079    7.400970    0.008606 
 S:   18.608124    7.400864    0.008575 
 B:    6.036972    7.401062    0.008636 
 B:   24.483231    7.400787    0.008560 
 B:    7.077698    7.401047    0.008621 
 B:   23.442505    7.400803    0.008560 
 U:    1.660400    7.401108    0.008652 
 U:   28.859802    7.400711    0.008545 
 O:    1.660370    5.559097   -0.484863  
 O:   28.859772    5.558700   -0.484970  
 O:    1.660385    6.480103   -0.238129  
 O:   28.859787    6.479691   -0.238235  
 O:    3.815109    7.401077    0.008636  
 O:   26.705093    7.400742    0.008545  
 O:    9.003510    7.401016    0.008621  
 O:   21.516693    7.400818    0.008575  
 O:    7.630081    5.559006   -0.484879  
 O:    7.630112    6.907486    1.850600  
 C:  -15.259888    7.401367    0.008713 
 S:  -18.607925    7.401428    0.008728 
 S:  -11.911850    7.401321    0.008698 
 B:  -24.483017    7.401489    0.008743 
 B:   -6.036743    7.401230    0.008682 
 B:  -23.442291    7.401489    0.008743 
 B:   -7.077469    7.401245    0.008682 
 U:  -28.859604    7.401566    0.008774 
 U:   -1.660172    7.401169    0.008667 
 O:  -28.859634    5.559555   -0.484741  
 O:   -1.660202    5.559158   -0.484848  
 O:  -28.859619    6.480560   -0.238007  
 O:   -1.660187    6.480148   -0.238113  
 O:  -26.704895    7.401535    0.008759  
 O:   -3.814896    7.401200    0.008667  
 O:  -21.516495    7.401474    0.008743  
 O:   -9.003281    7.401276    0.008698  
 O:  -22.889923    5.559464   -0.484756  
 O:  -22.889893    6.907928    1.850723  
 C:   15.260100    6.413879    3.692642 
 S:   11.912079    6.413925    3.692642 
 S:   18.608124    6.413818    3.692627 
 B:    6.036972    6.414000    3.692673 
 B:   24.483231    6.413742    3.692596 
 B:    7.077698    6.413986    3.692673 
 B:   23.442505    6.413757    3.692612 
 U:    1.660400    6.414063    3.692688 
 U:   28.859802    6.413666    3.692581 
 O:    1.660370    4.572052    3.199188  
 O:   28.859772    4.571640    3.199081  
 O:    1.660385    5.493073    3.445938  
 O:     28.859787    5.492676    3.445831  
 O:    3.815109    6.414032    3.692688  
 O:   26.705093    6.413696    3.692596  
 O:    9.003510    6.413956    3.692657  
 O:   21.516693    6.413773    3.692612  
 O:    7.630081    4.571960    3.199173  
 O:    7.630112    5.920471    5.534729  
 C:  -15.259888    6.414322    3.692749 
 S:  -18.607925    6.414368    3.692764 
 S:  -11.911850    6.414276    3.692749 
 B:  -24.483017    6.414444    3.692795 
 B:   -6.036743    6.414185    3.692719 
 B:  -23.442291    6.414429    3.692780 
 B:   -7.077469    6.414200    3.692719 
 U:  -28.859604    6.414520    3.692810 
 U:   -1.660172    6.414124    3.692703 
 O:  -28.859634    4.572495    3.199310  
 O:   -1.660202    4.572098    3.199203  
 O:  -28.859619    5.493530    3.446075  
 O:   -1.660187    5.493134    3.445969  
 O:  -26.704895    6.414490    3.692810  
 O:   -3.814896    6.414154    3.692719  
 O:  -21.516495    6.414413    3.692780  
 O:   -9.003281    6.414230    3.692734  
 O:  -22.889923    4.572418    3.199295  
 O:  -22.889893    5.920929    5.534851  
 C:   15.260100    5.426865    7.376648 
 S:   11.912079    5.426910    7.376663 
 S:   18.608124    5.426819    7.376633 
 B:    6.036972    5.427002    7.376694 
 B:   24.483231    5.426743    7.376617 
 B:    7.077698    5.426987    7.376694 
 B:   23.442505    5.426758    7.376617 
 U:    1.660400    5.427063    7.376709 
 U:   28.859802    5.426666    7.376602 
 O:    1.660370    3.585037    6.883209  
 O:   28.859772    3.584641    6.883102  
 O:    1.660385    4.506058    7.129974  
 O:   28.859787    4.505661    7.129868  
 O:    3.815109    5.427032    7.376694  
 O:   26.705093    5.426697    7.376602  
 O:    9.003510    5.426956    7.376678  
 O:   21.516693    5.426773    7.376633  
 O:    7.630081    3.584946    6.883194  
 C:  -15.259888    5.427307    7.376770 
 S:  -18.607925    5.427368    7.376785 
 S:  -11.911850    5.427261    7.376755 
 B:  -24.483017    5.427444    7.376816 
 B:   -6.036743    5.427185    7.376740 
 B:  -23.442291    5.427429    7.376800 
 B:   -7.077469    5.427200    7.376740 
 U:  -28.859604    5.427521    7.376831 
 U:   -1.660172    5.427124    7.376724 
 O:  -28.859634    3.585495    6.883331  
 O:   -1.660202    3.585098    6.883224  
 O:  -28.859619    4.506516    7.130096  
 O:   -1.660187    4.506119    7.129990  
 O:  -26.704895    5.427490    7.376816  
 O:   -3.814896    5.427155    7.376724  
 O:  -21.516495    5.427414    7.376800  
 O:   -9.003281    5.427231    7.376755  
 O:  -22.889923    3.585403    6.883316  
 C:   15.260040    4.703857   -4.662506 
 S:   11.912018    4.703903   -4.662506 
 S:   18.608063    4.703796   -4.662521 
 B:    6.036911    4.703979   -4.662476 
 B:   24.483170    4.703720   -4.662552 
 B:    7.077637    4.703979   -4.662476 
 B:   23.442444    4.703735   -4.662537 
 U:    1.660339    4.704041   -4.662460 
 U:   28.859741    4.703644   -4.662567 
 O:    1.660309    2.862015   -5.155975  
 O:   28.859711    2.861618   -5.156082  
 O:    1.660324    3.783020   -4.909210  
 O:   28.859726    3.782608   -4.909317  
 O:    3.815048    4.704010   -4.662476  
 O:   26.705032    4.703674   -4.662567  
 O:    9.003448    4.703949   -4.662491  
 O:   21.516632    4.703751   -4.662537  
 O:    7.630020    2.861923   -5.155991  
 O:    7.630051    4.210434   -2.820419  
 C:  -15.259949    4.704300   -4.662400 
 S:  -18.607986    4.704361   -4.662384 
 S:  -11.911911    4.704254   -4.662400 
 B:  -24.483078    4.704422   -4.662354 
 B:   -6.036804    4.704163   -4.662430 
 B:  -23.442352    4.704407   -4.662369 
 B:   -7.077530    4.704178   -4.662430 
 U:  -28.859665    4.704498   -4.662338 
 U:   -1.660233    4.704102   -4.662445 
 O:  -28.859695    2.862473   -5.155853  
 O:   -1.660263    2.862076   -5.155960  
 O:  -28.859680    3.783463   -4.909088  
 O:   -1.660248    3.783066   -4.909195  
 O:  -26.704956    4.704468   -4.662354  
 O:   -3.814957    4.704132   -4.662445  
 O:  -21.516556    4.704407   -4.662369  
 O:   -9.003342    4.704208   -4.662415  
 O:  -22.889984    2.862381   -5.155869  
 O:  -22.889954    4.210892   -2.820297  
 C:   15.260040    3.716858   -0.978424 
 S:   11.912018    3.716888   -0.978424 
 S:   18.608063    3.716797   -0.978439 
 B:    6.036911    3.716980   -0.978394 
 B:   24.483170    3.716721   -0.978470 
 B:    7.077637    3.716965   -0.978394 
 B:   23.442444    3.716736   -0.978455 
 U:    1.660339    3.717041   -0.978378 
 U:   28.859741    3.716644   -0.978485 
 O:    1.660309    1.875000   -1.471939  
 O:   28.859711    1.874603   -1.472046  
 O:     1.660324    2.796005   -1.225159  
 O:   28.859726    2.795609   -1.225266  
 O:    3.815048    3.717010   -0.978394  
 O:   26.705032    3.716675   -0.978470  
 O:    9.003448    3.716934   -0.978409  
 O:   21.516632    3.716751   -0.978455  
 O:    7.630020    1.874924   -1.471970  
 O:    7.630051    3.223450    0.863602  
 C:  -15.259949    3.717285   -0.978317 
 S:  -18.607986    3.717346   -0.978302 
 S:  -11.911911    3.717255   -0.978317 
 B:  -24.483078    3.717422   -0.978271 
 B:   -6.036804    3.717163   -0.978348 
 B:  -23.442352    3.717407   -0.978287 
 B:   -7.077530    3.717178   -0.978348 
 U:  -28.859665    3.717500   -0.978256 
 U:   -1.660233    3.717102   -0.978363 
 O:  -28.859695    1.875458   -1.471817  
 O:   -1.660263    1.875061   -1.471924  
 O:  -28.859680    2.796463   -1.225037  
 O:   -1.660248    2.796066   -1.225143  
 O:  -26.704956    3.717468   -0.978256  
 O:   -3.814957    3.717133   -0.978348  
 O:  -21.516556    3.717392   -0.978287  
 O:   -9.003342    3.717209   -0.978333  
 O:  -22.889984    1.875381   -1.471848  
 O:  -22.889954    3.223907    0.863724  
 C:   15.260040    2.729843    2.705612 
 S:   11.912018    2.729889    2.705627 
 S:   18.608063    2.729782    2.705597 
 B:    6.036911    2.729980    2.705658 
 B:   24.483170    2.729721    2.705582 
 B:    7.077637    2.729965    2.705658 
 B:   23.442444    2.729736    2.705582 
 U:    1.660339    2.730042    2.705673 
 U:   28.859741    2.729645    2.705566 
 O:    1.660309    0.887985    2.212158  
 O:   28.859711    0.887589    2.212051  
 O:    1.660324    1.809036    2.458954  
 O:   28.859726    1.808640    2.458847  
 O:    3.815048    2.730011    2.705658  
 O:   26.705032    2.729675    2.705566  
 O:    9.003448    2.729935    2.705643  
 O:   21.516632    2.729752    2.705597  
 O:    7.630020    0.887894    2.212128  
 O:    7.630051    2.236435    4.547684  
 C:  -15.259949    2.730286    2.705734 
 S:  -18.607986    2.730347    2.705750 
 S:  -11.911911    2.730240    2.705719 
 B:  -24.483078    2.730423    2.705780 
 B:   -6.036804    2.730164    2.705704 
 B:  -23.442352    2.730408    2.705765 
 B:   -7.077530    2.730179    2.705704 
 U:  -28.859665    2.730500    2.705795 
 U:   -1.660233    2.730103    2.705688 
 O:  -28.859695    0.888443    2.212280  
 O:   -1.660263    0.888046    2.212173  
 O:  -28.859680    1.809494    2.459076  
 O:   -1.660248    1.809097    2.458969  
 O:  -26.704956    2.730469    2.705780  
 O:   -3.814957    2.730133    2.705688  
 O:  -21.516556    2.730392    2.705765  
 O:   -9.003342    2.730194    2.705719  
 O:  -22.889984    0.888351    2.212250  
 O:  -22.889954    2.236893    4.547806  
 C:   15.260040    1.742828    6.389664 
 S:   11.912018    1.742874    6.389679 
 S:   18.608063    1.742767    6.389648 
 B:    6.036911    1.742966    6.389709 
 B:   24.483170    1.742691    6.389633 
 B:    7.077637    1.742950    6.389694 
 B:   23.442444    1.742706    6.389633 
 U:    1.660339    1.743027    6.389725 
 U:   28.859741    1.742630    6.389618 
 O:    1.660309   -0.099045    5.896225  
 O:   28.859711   -0.099442    5.896118  
 O:    1.660324    0.821991    6.143005  
 O:   28.859726    0.821594    6.142900  
 O:    3.815048    1.742996    6.389709  
 O:   26.705032    1.742645    6.389618  
 O:    9.003448    1.742920    6.389694  
 O:   21.516632    1.742722    6.389633  
 O:    7.630020   -0.099136    5.896210  
 C:  -15.259949    1.743271    6.389786 
 S:  -18.607986    1.743332    6.389800 
 S:  -11.911911    1.743225    6.389771 
 B:  -24.483078    1.743408    6.389816 
 B:   -6.036804    1.743134    6.389755 
 B:  -23.442352    1.743393    6.389816 
 B:   -7.077530    1.743149    6.389755 
 U:  -28.859665    1.743484    6.389847 
 U:  -1.660233    1.743073    6.389740 
 O:  -28.859695   -0.098587    5.896347  
 O:   -1.660263   -0.098984    5.896240  
 O:  -28.859680    0.822449    6.143127  
 O:   -1.660248    0.822052    6.143021  
 O:  -26.704956    1.743454    6.389832  
 O:   -3.814957    1.743103    6.389740  
 O:  -21.516556    1.743378    6.389816  
 O:   -9.003342    1.743179    6.389755  
 O:  -22.889984   -0.098679    5.896332  
 C:   15.259995    1.019806   -5.649521 
 S:   11.911972    1.019852   -5.649506 
 S:   18.608017    1.019760   -5.649536 
 B:    6.036865    1.019943   -5.649475 
 B:   24.483124    1.019684   -5.649551 
 B:    7.077591    1.019928   -5.649490 
 B:   23.442398    1.019700   -5.649551 
 U:    1.660294    1.020004   -5.649460 
 U:   28.859695    1.019608   -5.649567 
 O:    1.660263   -0.822098   -6.142960  
 O:   28.859665   -0.822495   -6.143066  
 O:    1.660278    0.098984   -5.896194  
 O:   28.859680    0.098587   -5.896300  
 O:    3.815002    1.019974   -5.649475  
 O:   26.704987    1.019638   -5.649567  
 O:    9.003403    1.019897   -5.649490  
 O:   21.516586    1.019714   -5.649536  
 O:    7.629974   -0.822174   -6.142990  
 O:    7.630005    0.526398   -3.807465  
 C:  -15.259995    1.020248   -5.649400 
 S:  -18.608032    1.020309   -5.649384 
 S:  -11.911957    1.020203   -5.649414 
 B:  -24.483124    1.020386   -5.649368 
 B:   -6.036850    1.020126   -5.649429 
 B:  -23.442398    1.020370   -5.649368 
 B:   -7.077576    1.020142   -5.649429 
 U:  -28.859711    1.020462   -5.649338 
 U:   -1.660278    1.020065   -5.649445 
 O:  -28.859741   -0.821640   -6.142838  
 O:   -1.660309   -0.822037   -6.142944  
 O:  -28.859726    0.099442   -5.896072  
 O:   -1.660294    0.099045   -5.896179  
 O:  -26.705002    1.020432   -5.649353  
 O:   -3.815002    1.020096   -5.649445  
 O:  -21.516602    1.020355   -5.649368  
 O:   -9.003387    1.020172   -5.649414  
 O:  -22.890030   -0.821716   -6.142868  
 O:  -22.890000    0.526855   -3.807343  
 C:   15.259995    0.032776   -1.965454 
 S:   11.911972    0.032822   -1.965439 
 S:   18.608017    0.032715   -1.965469 
 B:    6.036865    0.032913   -1.965424 
 B:   24.483124    0.032639   -1.965485 
 B:    7.077591    0.032898   -1.965424 
 B:   23.442398    0.032654   -1.965485 
 U:    1.660294    0.032974   -1.965408 
 U:   28.859695    0.032578   -1.965515 
 O:    1.660263   -1.809036   -2.458923  
 O:   28.859665   -1.809433   -2.459030  
 O:    1.660278   -0.888046   -2.212158  
 O:   28.859680   -0.888443   -2.212265  
 O:    3.815002    0.032944   -1.965408  
 O:   26.704987    0.032608   -1.965500  
 O:    9.003403    0.032867   -1.965439  
 O:   21.516586    0.032669   -1.965485  
 O:    7.629974   -1.809128   -2.458954  
 O:    7.630005   -0.460602   -0.123398  
 C:  -15.259995    0.033218   -1.965332 
 S:  -18.608032    0.033279   -1.965317 
 S:  -11.911957    0.033173   -1.965347 
 B:  -24.483124    0.033356   -1.965302 
 B:   -6.036850    0.033081   -1.965378 
 B:  -23.442398    0.033340   -1.965302 
 B:   -7.077576    0.033096   -1.965363 
 U:  -28.859711    0.033432   -1.965286 
 U:   -1.660278    0.033035   -1.965393 
 O:  -28.859741   -1.808578   -2.458800  
 O:   -1.660309   -1.808975   -2.458908  
 O:  -28.859726   -0.887589   -2.212036  
 O:   -1.660294   -0.887985   -2.212143  
 O:  -26.705002    0.033400   -1.965286  
 O:   -3.815002    0.033066   -1.965378  
 O:  -21.516602    0.033325   -1.965302  
 O:   -9.003387    0.033127   -1.965363  
 O:  -22.890030   -1.808670   -2.458832  
 O:  -22.890000   -0.460144   -0.123276  
 C:   15.259995   -0.954254    1.718643 
 S:    11.911972   -0.954208    1.718658 
 S:   18.608017   -0.954315    1.718628 
 B:    6.036865   -0.954117    1.718689 
 B:   24.483124   -0.954391    1.718613 
 B:    7.077591   -0.954132    1.718689 
 B:   23.442398   -0.954376    1.718613 
 U:    1.660294   -0.954056    1.718704 
 U:   28.859695   -0.954468    1.718597 
 O:    1.660263   -2.796082    1.225174  
 O:   28.859665   -2.796478    1.225067  
 O:    1.660278   -1.875031    1.471939  
 O:   28.859680   -1.875427    1.471832  
 O:    3.815002   -0.954086    1.718689  
 O:   26.704987   -0.954437    1.718597  
 O:    9.003403   -0.954163    1.718674  
 O:   21.516586   -0.954361    1.718628  
 O:    7.629974   -2.796173    1.225159  
 O:    7.630005   -1.447600    3.560684  
 C:  -15.259995   -0.953812    1.718765 
 S:  -18.608032   -0.953751    1.718781 
 S:  -11.911957   -0.953857    1.718750 
 B:  -24.483124   -0.953674    1.718811 
 B:   -6.036850   -0.953949    1.718735 
 B:  -23.442398   -0.953690    1.718796 
 B:   -7.077576   -0.953934    1.718735 
 U:  -28.859711   -0.953613    1.718826 
 U:   -1.660278   -0.954010    1.718719 
 O:  -28.859741   -2.795624    1.225296  
 O:   -1.660309   -2.796021    1.225189  
 O:  -28.859726   -1.874573    1.472061  
 O:   -1.660294   -1.874985    1.471954  
 O:  -26.705002   -0.953629    1.718811  
 O:   -3.815002   -0.953979    1.718719  
 O:  -21.516602   -0.953705    1.718796  
 O:   -9.003387   -0.953903    1.718750  
 O:  -22.890030   -2.795715    1.225281  
 O:  -22.890000   -1.447159    3.560806  
 C:   15.259995   -1.941238    5.402679 
 S:   11.911972   -1.941193    5.402679 
 S:   18.608017   -1.941300    5.402664 
 B:    6.036865   -1.941116    5.402710 
 B:   24.483124   -1.941376    5.402634 
 B:    7.077591   -1.941132    5.402710 
 B:   23.442398   -1.941360    5.402634 
 U:    1.660294   -1.941055    5.402725 
 U:   28.859695   -1.941452    5.402618 
 O:    1.660263   -3.783081    4.909225  
 O:   28.859665   -3.783478    4.909119  
 O:    1.660278   -2.862106    5.155975  
 O:   28.859680   -2.862518    5.155869  
 O:    3.815002   -1.941086    5.402710  
 O:   26.704987   -1.941422    5.402618  
 O:    9.003403   -1.941147    5.402695  
 O:   21.516586   -1.941345    5.402649  
 O:    7.629974   -3.783173    4.909210  
 C:  -15.259995   -1.940796    5.402786 
 S:  -18.608032   -1.940735    5.402802 
 S:  -11.911957   -1.940842    5.402786 
 B:  -24.483124   -1.940674    5.402832 
 B:   -6.036850   -1.940933    5.402756 
 B:  -23.442398   -1.940689    5.402817 
 B:   -7.077576   -1.940918    5.402756 
 U:  -28.859711   -1.940598    5.402847 
 U:   -1.660278   -1.940994    5.402740 
 O:  -28.859741   -3.782623    4.909348  
 O:   -1.660309   -3.783035    4.909241  
 O:  -28.859726   -2.861664    5.156097  
 O:   -1.660294   -2.862061    5.155991  
 O:  -26.705002   -1.940628    5.402832  
 O:   -3.815002   -1.940964    5.402740  
 O:  -21.516602   -1.940704    5.402817  
 O:   -9.003387   -1.940887    5.402771  
 O:  -22.890030   -3.782715    4.909332  
 C:   15.259933   -2.664291   -6.636520 
 S:   11.911911   -2.664246   -6.636505 
 S:   18.607956   -2.664352   -6.636536 
 B:    6.036804   -2.664154   -6.636490 
 B:   24.483063   -2.664429   -6.636551 
 B:    7.077530   -2.664169   -6.636490 
 B:   23.442337   -2.664413   -6.636551 
 U:    1.660233   -2.664093   -6.636459 
 U:   28.859634   -2.664490   -6.636566 
 O:    3.814941   -2.664124   -6.636475  
 O:   26.704926   -2.664459   -6.636566  
 O:    9.003342   -2.664200   -6.636490  
 O:   21.516525   -2.664398   -6.636551  
 O:    7.629944   -3.157654   -4.794510  
 C:  -15.260056   -2.663849   -6.636398 
 S:  -18.608093   -2.663788   -6.636383 
 S:  -11.912018   -2.663895   -6.636414 
 B:  -24.483185   -2.663712   -6.636368 
 B:   -6.036911   -2.663986   -6.636429 
 B:  -23.442459   -2.663727   -6.636368 
 B:   -7.077637   -2.663971   -6.636429 
 U:  -28.859772   -2.663635   -6.636337 
 U:   -1.660339   -2.664032   -6.636444 
 O:  -26.705063   -2.663666   -6.636353  
 O:   -3.815063   -2.664000   -6.636444  
 O:  -21.516663   -2.663742   -6.636368  
 O:   -9.003448   -2.663940   -6.636429  
 O:  -22.890060   -3.157196   -4.794388  
 C:   15.259933   -3.651276   -2.952484 
 S:   11.911911   -3.651230   -2.952469 
 S:   18.607956   -3.651337   -2.952500 
 B:    6.036804   -3.651138   -2.952438 
 B:   24.483063   -3.651413   -2.952515 
 B:    7.077530   -3.651154   -2.952454 
 B:   23.442337   -3.651398   -2.952515 
 U:    1.660233   -3.651093   -2.952423 
 U:   28.859634   -3.651489   -2.952530 
 O:    3.814941   -3.651108   -2.952438  
 O:   26.704926   -3.651459   -2.952530  
 O:    9.003342   -3.651184   -2.952454  
 O:   21.516525   -3.651382   -2.952515  
 O:    7.629944   -4.144669   -1.110413  
 C:  -15.260056   -3.650833   -2.952362 
 S:  -18.608093   -3.650772   -2.952347 
 S:  -11.912018   -3.650879   -2.952377 
 B:  -24.483185   -3.650696   -2.952332 
 B:   -6.036911   -3.650970   -2.952393 
 B:  -23.442459   -3.650711   -2.952332 
 B:   -7.077637   -3.650955   -2.952393 
 U:  -28.859772   -3.650635   -2.952300 
 U:   -1.660339   -3.651031   -2.952408 
 O:  -26.705063   -3.650665   -2.952316  
 O:   -3.815063   -3.651000   -2.952408  
 O:  -21.516663   -3.650726   -2.952332  
 O:   -9.003448   -3.650925   -2.952393  
 O:  -22.890060   -4.144211   -1.110291  
 C:   15.259933   -4.638275    0.731567 
 S:   11.911911   -4.638229    0.731583 
 S:   18.607956   -4.638336    0.731552 
 B:    6.036804   -4.638153    0.731613 
 B:   24.483063   -4.638412    0.731537 
 B:    7.077530   -4.638168    0.731598 
 B:   23.442337   -4.638397    0.731537 
 U:    1.660233   -4.638092    0.731628 
 U:   28.859634   -4.638489    0.731522 
 O:    3.814941   -4.638123    0.731613  
 O:   26.704926   -4.638458    0.731522  
 O:    9.003342   -4.638200    0.731598  
 O:   21.516525   -4.638382    0.731537  
 O:    7.629944   -5.131700    2.573669  
 C:  -15.260056   -4.637833    0.731689 
 S:  -18.608093   -4.637787    0.731705 
 S:  -11.912018   -4.637878    0.731674 
 B:  -24.483185   -4.637711    0.731720 
 B:   -6.036911   -4.637970    0.731659 
 B:  -23.442459   -4.637726    0.731720 
 B:   -7.077637   -4.637955    0.731659 
 U:  -28.859772   -4.637634    0.731750 
 U:   -1.660339   -4.638031    0.731644 
 O:  -26.705063   -4.637665    0.731735  
 O:   -3.815063   -4.638000    0.731644  
 O:  -21.516663   -4.637741    0.731720  
 O:   -9.003448   -4.637924    0.731674  
 O:  -22.890060   -5.131241    2.573792  
 C:   15.259933   -5.625320    4.415680 
 S:   11.911911   -5.625275    4.415695 
 S:   18.607956   -5.625366    4.415665 
 B:    6.036804   -5.625183    4.415710 
 B:   24.483063   -5.625443    4.415649 
 B:    7.077530   -5.625198    4.415710 
 B:   23.442337   -5.625427    4.415649 
 U:    1.660233   -5.625122    4.415726 
 U:   28.859634   -5.625519    4.415619 
 O:    3.814941   -5.625153    4.415726  
 O:   26.704926   -5.625488    4.415634  
 O:    9.003342   -5.625229    4.415695  
 O:   21.516525   -5.625412    4.415649  
 C:  -15.260056   -5.624878    4.415802 
 S:  -18.608093   -5.624817    4.415817 
 S:  -11.912018   -5.624924    4.415787 
 B:  -24.483185   -5.624741    4.415833 
 B:   -6.036911   -5.625000    4.415756 
 B:  -23.442459   -5.624756    4.415833 
 B:   -7.077637   -5.624985    4.415771 
 U:  -28.859772   -5.624664    4.415848 
 U:   -1.660339   -5.625061    4.415741 
 O:  -26.705063   -5.624695    4.415848  
 O:    -3.815063   -5.625031    4.415756  
 O:   -21.516663   -5.624771    4.415817  
 O:   -9.003448   -5.624954    4.415771