     8 ccl4-h2o-ix3.0
     1 Cl      0.296423    1.445045   -0.782906        402    5   
     2 Cl      0.112756   -0.003855    1.705841        402    5
     3 Cl      0.294119   -1.442822   -0.788729        402    5
     4 Cl     -2.113435    0.001650   -0.131462        402    5
     5  C     -0.355905    0.000041    0.006841        401    1  2  3  4
     6  O      2.726335   -0.000288    0.021379         33    7  8
     7  H      2.149613    0.755517   -0.127691         34    6     
     8  H      2.147460   -0.753787   -0.131029         34    6
     8 ccl4-h2o-ix3.2
     1 Cl      0.271239    1.445170   -0.783893        402    5   
     2 Cl      0.091153   -0.003649    1.705162        402    5
     3 Cl      0.269668   -1.442698   -0.789566        402    5
     4 Cl     -2.137407    0.001191   -0.129268        402    5
     5  C     -0.379700    0.000039    0.006767        401    1  2  3  4
     6  O      2.902506   -0.000247    0.021801         33    7  8
     7  H      2.325398    0.755403   -0.126564         34    6     
     8  H      2.323628   -0.753902   -0.129822         34    6
     8 ccl4-h2o-ix3.4
     1 Cl      0.246201    1.445279   -0.784777        402    5   
     2 Cl      0.069328   -0.003468    1.704551        402    5
     3 Cl      0.245273   -1.442589   -0.790318        402    5
     4 Cl     -2.161359    0.000788   -0.127294        402    5
     5  C     -0.403496    0.000037    0.006703        401    1  2  3  4
     6  O      3.078679   -0.000212    0.022168         33    7  8
     7  H      2.501230    0.755302   -0.125562         34    6     
     8  H      2.499795   -0.754003   -0.128750         34    6
     8 ccl4-h2o-ix3.6
     1 Cl      0.221286    1.445376   -0.785572        402    5   
     2 Cl      0.047310   -0.003307    1.703998        402    5
     3 Cl      0.220928   -1.442493   -0.790996        402    5
     4 Cl     -2.185296    0.000431   -0.125509        402    5
     5  C     -0.427293    0.000036    0.006647        401    1  2  3  4
     6  O      3.254854   -0.000181    0.022490         33    7  8
     7  H      2.677100    0.755212   -0.124664         34    6     
     8  H      2.675963   -0.754094   -0.127790         34    6
     8 ccl4-h2o-ix3.8
     1 Cl      0.196476    1.445461   -0.786291        402    5   
     2 Cl      0.025126   -0.003162    1.703495        402    5
     3 Cl      0.196627   -1.442407   -0.791611        402    5
     4 Cl     -2.209220    0.000112   -0.123888        402    5
     5  C     -0.451092    0.000035    0.006596        401    1  2  3  4
     6  O      3.431031   -0.000154    0.022776         33    7  8
     7  H      2.853003    0.755131   -0.123856         34    6     
     8  H      2.852131   -0.754175   -0.126927         34    6
     8 ccl4-h2o-ix4.0
     1 Cl      0.171759    1.445538   -0.786943        402    5   
     2 Cl      0.002797   -0.003032    1.703037        402    5
     3 Cl      0.172366   -1.442331   -0.792171        402    5
     4 Cl     -2.233132   -0.000173   -0.122409        402    5
     5  C     -0.474891    0.000034    0.006551        401    1  2  3  4
     6  O      3.607210   -0.000130    0.023031         33    7  8
     7  H      3.028934    0.755058   -0.123125         34    6     
     8  H      3.028301   -0.754249   -0.126147         34    6
     8 ccl4-h2o-ix4.2
     1 Cl      0.147121    1.445607   -0.787539        402    5   
     2 Cl     -0.019658   -0.002915    1.702617        402    5
     3 Cl      0.148139   -1.442262   -0.792683        402    5
     4 Cl     -2.257034   -0.000431   -0.121056        402    5
     5  C     -0.498691    0.000033    0.006510        401    1  2  3  4
     6  O      3.783390   -0.000109    0.023259         33    7  8
     7  H      3.204890    0.754991   -0.122460         34    6     
     8  H      3.204471   -0.754315   -0.125437         34    6
     8 ccl4-h2o-ix4.4
     1 Cl      0.122553    1.445670   -0.788084        402    5   
     2 Cl     -0.042224   -0.002808    1.702230        402    5
     3 Cl      0.123944   -1.442199   -0.793152        402    5
     4 Cl     -2.280927   -0.000664   -0.119812        402    5
     5  C     -0.522493    0.000032    0.006473        401    1  2  3  4
     6  O      3.959571   -0.000090    0.023465         33    7  8
     7  H      3.380866    0.754931   -0.121853         34    6     
     8  H      3.380642   -0.754375   -0.124790         34    6
     8 ccl4-h2o-ix4.5
     1 Cl      0.110292    1.445699   -0.788340        402    5   
     2 Cl     -0.053544   -0.002758    1.702049        402    5
     3 Cl      0.111858   -1.442170   -0.793373        402    5
     4 Cl     -2.292871   -0.000773   -0.119228        402    5
     5  C     -0.534394    0.000032    0.006456        401    1  2  3  4
     6  O      4.047661   -0.000081    0.023560         33    7  8
     7  H      3.468861    0.754903   -0.121568         34    6     
     8  H      3.468728   -0.754404   -0.124487         34    6
     8 ccl4-h2o-ix4.6
     1 Cl      0.098046    1.445727   -0.788585        402    5   
     2 Cl     -0.064888   -0.002710    1.701874        402    5
     3 Cl      0.099778   -1.442142   -0.793585        402    5
     4 Cl     -2.304813   -0.000877   -0.118667        402    5
     5  C     -0.546295    0.000032    0.006439        401    1  2  3  4
     6  O      4.135752   -0.000072    0.023651         33    7  8
     7  H      3.556861    0.754876   -0.121296         34    6     
     8  H      3.556814   -0.754431   -0.124197         34    6
     8 ccl4-h2o-ix4.7
     1 Cl      0.085813    1.445753   -0.788820        402    5   
     2 Cl     -0.076254   -0.002665    1.701706        402    5
     3 Cl      0.087704   -1.442116   -0.793788        402    5
     4 Cl     -2.316754   -0.000977   -0.118127        402    5
     5  C     -0.558196    0.000032    0.006423        401    1  2  3  4
     6  O      4.223844   -0.000064    0.023738         33    7  8
     7  H      3.644864    0.754850   -0.121035         34    6     
     8  H      3.644901   -0.754456   -0.123918         34    6
     8 ccl4-h2o-ix4.8
     1 Cl      0.073593    1.445779   -0.789047        402    5   
     2 Cl     -0.087640   -0.002621    1.701545        402    5
     3 Cl      0.075636   -1.442090   -0.793984        402    5
     4 Cl     -2.328693   -0.001072   -0.117607        402    5
     5  C     -0.570097    0.000031    0.006408        401    1  2  3  4
     6  O      4.311935   -0.000057    0.023821         33    7  8
     7  H      3.732871    0.754825   -0.120784         34    6     
     8  H      3.732988   -0.754481   -0.123651         34    6
     8 ccl4-h2o-ix4.9
     1 Cl      0.061385    1.445803   -0.789265        402    5   
     2 Cl     -0.099045   -0.002579    1.701389        402    5
     3 Cl      0.063574   -1.442066   -0.794172        402    5
     4 Cl     -2.340631   -0.001163   -0.117107        402    5
     5  C     -0.581998    0.000031    0.006394        401    1  2  3  4
     6  O      4.400026   -0.000050    0.023901         33    7  8
     7  H      3.820882    0.754801   -0.120543         34    6     
     8  H      3.821075   -0.754505   -0.123395         34    6
     8 ccl4-h2o-ix5.0
     1 Cl      0.049188    1.445826   -0.789474        402    5   
     2 Cl     -0.110469   -0.002539    1.701239        402    5
     3 Cl      0.051518   -1.442042   -0.794353        402    5
     4 Cl     -2.352567   -0.001251   -0.116626        402    5
     5  C     -0.593900    0.000031    0.006380        401    1  2  3  4
     6  O      4.488118   -0.000043    0.023976         33    7  8
     7  H      3.908896    0.754779   -0.120312         34    6     
     8  H      3.909162   -0.754528   -0.123148         34    6
     8 ccl4-h2o-ix5.2
     1 Cl      0.024827    1.445870   -0.789870        402    5   
     2 Cl     -0.133367   -0.002462    1.700955        402    5
     3 Cl      0.027420   -1.441998   -0.794697        402    5
     4 Cl     -2.376436   -0.001416   -0.115713        402    5
     5  C     -0.617704    0.000030    0.006354        401    1  2  3  4
     6  O      4.664302   -0.000030    0.024119         33    7  8
     7  H      4.084934    0.754735   -0.119874         34    6     
     8  H      4.085337   -0.754571   -0.122682         34    6
     8 ccl4-h2o-ix5.4
     1 Cl      0.000503    1.445911   -0.790239        402    5   
     2 Cl     -0.156329   -0.002392    1.700690        402    5
     3 Cl      0.003340   -1.441958   -0.795016        402    5
     4 Cl     -2.400300   -0.001568   -0.114862        402    5
     5  C     -0.641508    0.000030    0.006330        401    1  2  3  4
     6  O      4.840487   -0.000018    0.024250         33    7  8
     7  H      4.260982    0.754695   -0.119468         34    6     
     8  H      4.261513   -0.754611   -0.122250         34    6
     8 ccl4-h2o-ix5.6
     1 Cl     -0.023785    1.445948   -0.790582        402    5   
     2 Cl     -0.179346   -0.002327    1.700443        402    5
     3 Cl     -0.020722   -1.441920   -0.795315        402    5
     4 Cl     -2.424160   -0.001710   -0.114068        402    5
     5  C     -0.665312    0.000030    0.006308        401    1  2  3  4
     6  O      5.016671   -0.000007    0.024371         33    7  8
     7  H      4.437041    0.754658   -0.119090         34    6     
     8  H      4.437689   -0.754648   -0.121848         34    6
     8 ccl4-h2o-ix5.8
     1 Cl     -0.048042    1.445983   -0.790903        402    5   
     2 Cl     -0.202415   -0.002266    1.700211        402    5
     3 Cl     -0.044769   -1.441885   -0.795594        402    5
     4 Cl     -2.448017   -0.001841   -0.113324        402    5
     5  C     -0.689116    0.000029    0.006287        401    1  2  3  4
     6  O      5.192857    0.000003    0.024484         33    7  8
     7  H      4.613108    0.754624   -0.118737         34    6     
     8  H      4.613867   -0.754683   -0.121473         34    6
     8 ccl4-h2o-ix6.0
     1 Cl     -0.072271    1.446016   -0.791204        402    5   
     2 Cl     -0.225529   -0.002209    1.699993        402    5
     3 Cl     -0.068802   -1.441852   -0.795855        402    5
     4 Cl     -2.471870   -0.001964   -0.112627        402    5
     5  C     -0.712921    0.000029    0.006268        401    1  2  3  4
     6  O      5.369042    0.000013    0.024588         33    7  8
     7  H      4.789184    0.754591   -0.118407         34    6     
     8  H      4.790045   -0.754716   -0.121122         34    6
     8 ccl4-h2o-ix6.2
     1 Cl     -0.096475    1.446046   -0.791486        402    5   
     2 Cl     -0.248686   -0.002155    1.699788        402    5
     3 Cl     -0.092822   -1.441822   -0.796101        402    5
     4 Cl     -2.495721   -0.002078   -0.111971        402    5
     5  C     -0.736727    0.000029    0.006250        401    1  2  3  4
     6  O      5.545228    0.000021    0.024685         33    7  8
     7  H      4.965267    0.754561   -0.118098         34    6     
     8  H      4.966223   -0.754746   -0.120793         34    6
