          60
 QM XYZ file for CP2K
     O          3.371660604         10.685276371          5.467366232
     H          2.958491234         11.050274134          6.240961976
     H          4.244514820         10.378244128          5.762239051
     O          2.561056341          2.711826033          7.315810477
     H          3.162613167          3.346481694          6.938419514
     H          1.866343830          3.281785504          7.564559031
     O          1.678842123          7.110458006          1.106161249
     H          1.922511753          7.356130176          1.990390608
     H          2.089959529          6.184689704          1.031974127
     O          2.382432407          4.346724741          1.491398614
     H          2.914893369          4.658368559          2.220938866
     H          2.997599531          4.205728823          0.754145547
     O          1.164532608          5.405955299          7.216648406
     H          2.091307502          5.802179798          7.118974781
     H          0.599212774          6.132265871          7.513459588
     O          9.074420028          5.616768670          0.316443385
     H          8.601508504          6.494126410          0.278000789
     H          9.939567184          5.826556819          0.671616777
     O          7.537896804          6.879358729          6.449543767
     H          8.350347027          7.357567977          6.186112419
     H          7.796032539          5.930409681          6.361221069
     O          4.484589912          9.315001842          1.301867369
     H          3.934408292          9.910045058          0.781257067
     H          5.312265654          9.853199589          1.325478342
     O          6.576819510          6.686036179          3.774648729
     H          6.734193137          7.658133915          3.777761131
     H          6.822890578          6.446278123          4.696779434
     O          7.474090724          7.740399269         10.385283270
     H          7.417928228          8.243503278         11.149286888
     H          7.487315466          8.417461566          9.641445375
     O          8.329719026          4.154486534          6.005785670
     H          7.528866521          3.830917887          6.443703961
     H          9.042394416          3.906263555          6.682731085
     O          8.322347068          2.088173744          2.546675812
     H          9.273291121          2.257335544          2.405774065
     H          7.972027465          2.995985025          2.744201973
     O          9.732750292          0.381388195          7.583193081
     H         10.528345118         -0.135537928          7.773159570
     H          9.687097952          0.454300245          6.638869261
     O          4.946546807          3.626913366         -0.436438486
     H          5.286562768          4.507546246         -0.220233428
     H          5.092481787          3.501792158         -1.412110846
     O          2.656717698          8.502696943          3.486713947
     H          3.271874059          8.724253244          2.783302934
     H          2.763993679          9.081726386          4.235024104
     O          9.060517814          3.070515507          8.559222648
     H          9.284670893          2.223500487          8.876266005
     H          9.112321355          3.663148875          9.396569123
     O          1.308246576          1.973971686          2.477152652
     H          1.607672203          1.412575339          1.732494528
     H          1.734357877          2.815015633          2.079289559
     O          7.244311086         -0.392242118          8.308157531
     H          8.144670483         -0.067206426          8.023207970
     H          6.850032603          0.308460142          8.823134221
     O          2.767306568          1.573163443          9.930575454
     H          2.891111372          2.259632384          9.273076964
     H          2.630153283          0.889579287          9.289832293
     O          0.314407233          1.060624855          4.977254309
     H          1.039613282          1.487143023          4.442030082
     H         -0.421384854          1.663888244          4.694517027
