           3
        1020
 O      6.614354      6.365748      6.614711
 H      7.339046      7.058840      6.612842
 H      5.859254      7.017700      6.616641
           3
        1040
 O      6.614623      6.372061      6.614710
 H      7.334681      7.005706      6.612853
 H      5.859344      6.971224      6.616643
           3
        1060
 O      6.614062      6.379140      6.614711
 H      7.424229      6.954214      6.612622
 H      5.778693      6.910140      6.616851
           3
        1080
 O      6.614339      6.379989      6.614711
 H      7.379101      6.944637      6.612738
 H      5.819414      6.905700      6.616747
           3
        1100
 O      6.614473      6.367316      6.614711
 H      7.356086      7.045317      6.612795
 H      5.840295      7.006215      6.616692
           3
        1120
 O      6.614490      6.370022      6.614710
 H      7.315188      7.022548      6.612899
 H      5.880919      6.986611      6.616589
           3
        1140
 O      6.614356      6.375937      6.614711
 H      7.410785      6.978513      6.612652
 H      5.787437      6.936839      6.616831
           3
        1160
 O      6.614075      6.382052      6.614711
 H      7.387006      6.929521      6.612714
 H      5.815672      6.888253      6.616759
           3
        1180
 O      6.614597      6.370516      6.614710
 H      7.379465      7.019184      6.612731
 H      5.814910      6.981497      6.616760
           3
        1200
 O      6.614337      6.369097      6.614711
 H      7.307001      7.031183      6.612916
 H      5.891498      6.992440      6.616564
           3
        1220
 O      6.614651      6.371979      6.614710
 H      7.387723      7.008269      6.612707
 H      5.805770      6.969956      6.616786
           3
        1240
 O      6.613896      6.382392      6.614712
 H      7.389814      6.927764      6.612702
 H      5.815665      6.884847      6.616762
           3
        1260
 O      6.614655      6.374535      6.614710
 H      7.401260      6.987286      6.612671
 H      5.792160      6.949610      6.616822
           3
        1280
 O      6.614221      6.369396      6.614711
 H      7.312744      7.029725      6.612898
 H      5.887558      6.988915      6.616576
           3
        1300
 O      6.614825      6.368464      6.614710
 H      7.360983      7.034578      6.612772
 H      5.829719      6.999433      6.616726
           3
        1320
 O      6.613877      6.380926      6.614712
 H      7.387078      6.939799      6.612705
 H      5.818667      6.896282      6.616757
           3
        1340
 O      6.614593      6.378221      6.614710
 H      7.415667      6.958589      6.612630
 H      5.778708      6.919924      6.616860
           3
        1360
 O      6.614185      6.370911      6.614711
 H      7.330768      7.017680      6.612848
 H      5.870078      6.976750      6.616624
           3
        1380
 O      6.614830      6.366326      6.614710
 H      7.339007      7.050915      6.612824
 H      5.851586      7.016927      6.616672
           3
        1400
 O      6.614044      6.377916      6.614711
 H      7.377555      6.963356      6.612725
 H      5.825506      6.920648      6.616742
           3
        1420
 O      6.614431      6.380432      6.614710
 H      7.420240      6.941816      6.612614
 H      5.776675      6.901785      6.616869
           3
        1440
 O      6.614254      6.373438      6.614711
 H      7.355546      6.997015      6.612780
 H      5.844174      6.957252      6.616693
           3
        1460
 O      6.614696      6.366052      6.614710
 H      7.329181      7.053889      6.612846
 H      5.863509      7.018133      6.616643
           3
        1480
 O      6.614342      6.374025      6.614711
 H      7.361595      6.993020      6.612762
 H      5.836701      6.952772      6.616715
           3
        1500
 O      6.614235      6.380578      6.614711
 H      7.415065      6.941465      6.612623
 H      5.784925      6.900028      6.616850
           3
        1520
 O      6.614388      6.376453      6.614710
 H      7.380511      6.972575      6.612712
 H      5.817052      6.933882      6.616767
           3
        1540
 O      6.614470      6.367644      6.614710
 H      7.333705      7.042884      6.612830
 H      5.862546      7.003672      6.616648
           3
        1560
 O      6.614639      6.370183      6.614710
 H      7.343439      7.021657      6.612804
 H      5.850109      6.985018      6.616682
           3
        1580
 O      6.614074      6.378880      6.614711
 H      7.401011      6.955635      6.612655
 H      5.801504      6.913018      6.616810
           3
        1600
 O      6.614496      6.379159      6.614710
 H      7.401082      6.951005      6.612654
 H      5.794720      6.912634      6.616828
           3
        1620
 O      6.614215      6.370719      6.614711
 H      7.348391      7.019809      6.612789
 H      5.851869      6.977778      6.616678
           3
        1640
 O      6.614817      6.367268      6.614710
 H      7.330317      7.043237      6.612834
 H      5.860368      7.009559      6.616657
           3
        1660
 O      6.614016      6.376098      6.614711
 H      7.379156      6.978062      6.612707
 H      5.824246      6.934878      6.616753
           3
        1680
 O      6.614521      6.380654      6.614710
 H      7.414945      6.939435      6.612614
 H      5.780421      6.900689      6.616868
           3
        1700
 O      6.614036      6.374608      6.614711
 H      7.365616      6.989334      6.612741
 H      5.837451      6.946441      6.616719
           3
        1720
 O      6.614840      6.365915      6.614709
 H      7.329171      7.053763      6.612833
 H      5.861123      7.020320      6.616657
           3
        1740
 O      6.614106      6.373123      6.614711
 H      7.352239      7.001345      6.612772
 H      5.849692      6.958866      6.616689
           3
        1760
 O      6.614463      6.380218      6.614710
 H      7.420574      6.943446      6.612595
 H      5.775690      6.903812      6.616884
           3
        1780
 O      6.614013      6.378419      6.614711
 H      7.378798      6.958708      6.612703
 H      5.824605      6.916622      6.616756
           3
        1800
 O      6.614713      6.366467      6.614710
 H      7.342857      7.050753      6.612793
 H      5.849415      7.014416      6.616689
           3
        1820
 O      6.614311      6.370708      6.614711
 H      7.326150      7.019163      6.612836
 H      5.872486      6.979292      6.616631
           3
        1840
 O      6.614348      6.377749      6.614710
 H      7.416383      6.963744      6.612601
 H      5.781673      6.922898      6.616870
           3
        1860
 O      6.614129      6.381243      6.614711
 H      7.385399      6.935570      6.612682
 H      5.816124      6.895072      6.616781
           3
        1880
 O      6.614461      6.368855      6.614710
 H      7.367665      7.033872      6.612725
 H      5.828584      6.993290      6.616747
           3
        1900
 O      6.614533      6.369329      6.614710
 H      7.308469      7.028057      6.612878
 H      5.886610      6.992103      6.616596
           3
        1920
 O      6.614226      6.373952      6.614711
 H      7.401687      6.994607      6.612634
 H      5.798255      6.952394      6.616829
           3
        1940
 O      6.614302      6.382471      6.614710
 H      7.386443      6.925080      6.612675
 H      5.812293      6.886278      6.616794
           3
        1960
 O      6.614163      6.372520      6.614711
 H      7.394940      7.006463      6.612650
 H      5.805990      6.962501      6.616809
           3
        1980
 O      6.614689      6.369160      6.614710
 H      7.304632      7.027757      6.612885
 H      5.887934      6.994852      6.616595
           3
        2000
 O      6.614171      6.370007      6.614711
 H      7.378836      7.026506      6.612689
 H      5.821950      6.983134      6.616769
           3
        2020
 O      6.614448      6.381885      6.614710
 H      7.383495      6.929175      6.612679
 H      5.812874      6.891703      6.616796
           3
        2040
 O      6.613948      6.376466      6.614711
 H      7.415934      6.975957      6.612592
 H      5.788384      6.930442      6.616859
           3
        2060
 O      6.614730      6.370208      6.614710
 H      7.315714      7.019275      6.612852
 H      5.876172      6.986493      6.616628
           3
        2080
 O      6.614220      6.367026      6.614711
 H      7.354318      7.050147      6.612748
 H      5.845643      7.006728      6.616708
           3
        2100
 O      6.614505      6.379600      6.614710
 H      7.376665      6.947088      6.612692
 H      5.818761      6.910244      6.616783
           3
        2120
 O      6.613898      6.379488      6.614711
 H      7.425636      6.951985      6.612562
 H      5.779434      6.906604      6.616886
           3
        2140
 O      6.614616      6.372353      6.614710
 H      7.338418      7.003617      6.612789
 H      5.855243      6.967993      6.616685
           3
        2160
 O      6.614344      6.365750      6.614711
 H      7.336876      7.059272      6.612790
 H      5.861089      7.017721      6.616670
           3
        2180
 O      6.614450      6.376085      6.614710
 H      7.365377      6.975206      6.612716
 H      5.830879      6.937989      6.616753
           3
        2200
 O      6.614016      6.380644      6.614711
 H      7.423309      6.942194      6.612564
 H      5.779838      6.898255      6.616888
