116
energy: -546.186498
C       2.911003        -0.299134       -1.556153
C       1.061108        2.805147        -0.547440
C       0.079433        -0.155235       0.902143
C       1.926088        -2.201246       -0.859802
C       1.908415        -1.337560       1.474341
C       1.499446        1.819722        1.429121
C       1.063917        1.745595        0.206683
C       1.745182        0.032075        -1.084022
C       3.173409        -0.111545       0.949740
C       -1.900428       -0.780396       0.033036
C       0.234680        0.593069        1.953190
C       -1.978959       2.304565        0.259378
C       -2.134019       1.555687        -0.792421
C       -1.145524       2.397995        -0.734515
C       0.075817        0.903543        0.148802
C       0.083067        -1.214051       1.655574
C       -1.748792       1.026720        0.330674
C       -2.289693       0.806822        -1.844134
C       1.900431        0.780398        -0.033066
C       1.918855        -0.082072       -2.367670
C       2.914621        -1.358931       -0.802053
C       0.072222        1.962411        -0.604543
C       -1.071151       0.372067        -1.713458
C       -1.223129       -1.435652       -2.011880
C       -0.083039       1.214046        -1.655581
C       -0.156852       3.240714        -0.676892
C       3.169782        0.948254        0.195650
C       0.916109        -1.120637       0.662591
C       0.750613        1.308563        -2.649303
C       1.503065        0.760508        2.182776
C       -0.908720       -0.997298       0.844333
C       1.753082        -2.086345       0.422716
C       -0.312005       2.492032        -1.728279
C       1.922163        -1.141654       -1.613728
C       1.496168        2.879312        0.675314
C       -0.753399       -0.248906       1.895302
C       -0.912258       0.061580        0.090922
C       2.737162        -0.184752       -0.272802
C       -2.060106       -0.469917       -1.771986
C       0.926742        0.134683        -3.179313
C       -1.227365       -0.376852       -2.765157
C       -0.238338       0.465780        -2.706815
C       2.340161        -0.205410       1.943173
C       -1.745169       -0.032074       1.084016
C       -0.760634       1.868754        0.388559
C       1.904044        -0.278401       0.720307
C       -1.456533       0.900704        -2.837640
C       -0.467484       1.743472        -2.779702
C       0.662544        2.785556        1.669361
C       -0.058835       -1.767281       -2.483505
C       -0.231095       -1.651932       -1.199782
C       0.665991        1.726294        2.422997
C       2.733960        0.874945        -1.026888
C       -1.067784       -0.686896       -0.960270
C       1.748798        -1.026719       -0.330648
C       0.227484        2.710992        0.446472
C       2.332915        1.913770        0.435318
C       -0.072197       -1.962420       0.604541
C       -0.062312       -0.708087       -3.237242
C       -0.075815       -0.903545       -0.148808
C       -0.079431       0.155235        -0.902151
C       1.742225        1.091143        -1.838183
C       0.231066        1.651937        1.199789
C       -0.990499       3.146962        0.317135
C       -1.594175       1.775812        1.382031
C       1.071144        -0.372071       1.713457
C       0.757080        -0.809964       -1.141981
C       -0.606065       2.617670        1.440516
C       -1.904046       0.278399        -0.720303
C       -0.915957       1.120462        -0.662478
C       -0.601845       1.558855        2.193775
C       0.905253        2.056880        -1.598301
C       -1.300834       1.649390        -1.785894
C       0.760636        -1.868755       -0.388528
C       -0.757203       0.810090        1.142164
C       0.753403        0.248907        -1.895313
C       0.912262        -0.061580       -0.090928
C       -1.063921       -1.745598       -0.206709
C       1.067605        0.686793        0.960111
C       2.741201        -1.244501       0.481207
C       -0.234707       -0.593065       -1.953192
C       0.933666        -1.983957       -1.671622
C       0.930054        -0.924750       -2.425291
C       2.336230        0.854215        1.189293
C       1.897573        1.839928        -0.786562
C       0.908878        0.997445        -0.844487
C       -2.056479       -1.529385       -1.018172
C       -1.590550       0.716344        2.135849
C       -2.737153       0.184751        0.272814
C       -2.892974       -0.564201       -0.779041
C       -2.582187       0.933754        1.324756
C       -3.122912       0.713263        -0.850645
C       -2.967514       1.462293        0.201328
C       -2.124363       -1.268244       1.216838
C       -2.961481       -0.302591       1.457070
C       -1.969311       -0.519332       2.268614
C       -1.132270       -1.485147       2.028391
C       -3.116886       -1.051619       0.405104
C       -1.287590       -2.233774       0.977016
C       -2.280056       -2.017086       0.165103
C       0.238324        -0.465780       2.706811
C       -0.598837       0.500134        2.947171
C       0.919713        -2.180075       1.416412
C       1.075557        -1.431843       2.467294
C       0.669773        0.667072        3.176692
C       1.507029        -0.298980       2.936730
C       -0.227484       -2.710996       -0.446471
C       -1.220122       -2.494390       -1.258511
C       0.765088        -2.928420       0.365429
C       -0.055061       -2.826566       -1.729900
C       0.937603        -3.043592       -0.917884
C       -0.295146       -2.451050       1.788800
C       -0.977253       -0.736401       3.080206
C       -0.140003       -1.702455       2.840254
C       -1.443279       -2.982682       -0.074583
C       -0.450614       -3.199711       0.737437
