100
energy: -462.471506
C       -0.132650       -2.147507       -1.824331
C       1.820545        0.038609        -0.833964
C       -2.240287       -0.554425       -0.612279
C       2.782823        -0.835760       -0.801966
C       -1.278897       -1.428258       -0.579560
C       0.114950        0.069658        -1.518012
C       -2.056093       -0.398688       -1.889717
C       -2.023932       0.631909        -1.097948
C       -0.534506       -0.585200       0.071745
C       0.747542        -2.719128       0.070706
C       -0.846324       0.943725        -1.550623
C       0.426743        -1.459253       0.104427
C       -0.223330       0.788820        1.827371
C       1.171094        -0.616234       0.755825
C       3.030942        0.413095        -0.540136
C       0.314058        -2.187537       1.175274
C       -1.495825       0.288779        0.039070
C       1.262014        -0.649030       -2.763174
C       -1.094232       -1.272935       -1.856756
C       2.068802        1.287405        -0.572568
C       -0.750890       -1.771161       0.557222
C       -1.712066       -0.897246       0.524545
C       -1.062610       -0.242299       -1.065165
C       -0.102071       1.786662        -0.899312
C       1.076293        -0.804324       -1.485275
C       1.635444        1.818646        0.532046
C       -0.430784       -3.031335       0.523801
C       0.954098        1.100743        1.374575
C       2.254820        -0.492855       -1.938736
C       0.859288        0.912691        -0.866621
C       -0.439608       -0.397031       2.313077
C       -0.751479       1.131801        0.690464
C       0.642975        -0.273263       -0.381069
C       -1.279490       1.474743        -0.446517
C       0.860159        -1.990336       -0.999910
C       -0.101325       -1.116309       -1.032490
C       2.348791        -0.304345       0.302819
C       0.300087        0.225506        -2.795820
C       -1.184195       -1.240303       1.661468
C       0.426074        1.443756        0.237619
C       1.925862        -2.407012       -0.382467
C       -0.317783       -2.302395       -0.546921
C       1.604297        -1.147226       -0.348490
C       2.670459        -1.563699       0.269134
C       0.737847        -0.085097       1.860050
C       1.045676        -1.835403       -2.277477
C       2.597392        0.944494        0.564785
C       0.209789        0.257761        0.723093
C       -0.318244       0.600688        -0.413743
C       -0.877885       -0.086563       -2.342441
C       1.107186        2.161715        -0.605253
C       0.083728        -0.960872       -2.309755
C       -1.310958       -2.459719       -1.371210
C       1.915447        0.226868        1.407415
C       -0.967760       -0.054178       1.175988
C       2.502690        0.756160        -1.677431
C       0.331097        1.255796        -2.003609
C       2.236907        -1.032332       1.374075
C       1.058670        -1.344245       1.826902
C       -1.929255       -2.084082       1.010116
C       -1.496084       -2.615078       -0.093969
C       1.492033        -1.875468       0.722272
C       1.387364        0.569738        0.270295
C       -0.119295       -1.656538       2.280176
C       2.038579        -1.678679       -1.453259
C       1.540768        1.630701        -1.710061
C       1.292685        0.381522        -1.970929
C       -0.864161       -2.500093       1.628405
C       -0.006476       -0.928195       1.208672
C       -2.457255       -1.741170       -0.126651
C       -2.272570       -1.585407       -1.403905
C       -2.249581       0.143384        1.088124
C       -2.778189       0.486533        -0.049145
C       -2.994675       -0.700193       0.436650
C       -2.466433       -1.043267       1.573947
C       -1.721590       -0.199688       2.225703
C       -2.033224       1.329763        0.602438
C       -1.504984       0.986687        1.739740
C       -0.535300       2.317897        0.204781
C       -0.007063       1.974838        1.342060
C       -1.839739       0.788040        -2.375560
C       -0.661784       1.100100        -2.828562
C       -1.808040       1.818673        -1.584017
C       -0.630633       2.130587        -2.036808
C       0.578883        2.505279        -1.742824
C       -1.063796       2.661598        -0.932722
C       0.673948        2.693310        0.499407
C       0.145520        3.036531        -0.638216
C       -1.288826       2.173333        1.254223
C       -2.561825       1.673252        -0.535013
C       -1.817229       2.516564        0.116592
C       0.625502        -0.812993       2.932045
C       1.803468        -0.500927       2.479046
C       2.163961        1.475874        1.669759
C       1.482459        0.758280        2.512601
C       0.305039        0.446359        2.965392
C       1.202351        2.350186        1.637068
C       0.521292        1.632187        2.479924
C       -0.976779       0.643830        2.877570
C       -0.760427       1.830206        2.391884
