 123
Energy of minimum      0=    -947.5069277356
  O       3.4935526208     -0.5538933579      2.9533207667
  H       4.3450317631     -0.6359091279      3.3828420381
  H       3.2253107304     -1.4558649610      2.7780342746
  O       4.2824135712     -0.4368867586      0.3888121822
  H       3.7839895764     -1.1297649140     -0.0444605058
  H       4.0244834310     -0.4950748301      1.3087676322
  O       3.4003283436      1.9917246915     -0.2841308535
  H       4.1800679650      2.5391291959     -0.1914687241
  H       3.6946533470      1.1125449923     -0.0461231060
  O       6.5887789002     -0.1536634468     -2.8187639668
  H       5.7685646760      0.3397538892     -2.8232134396
  H       7.2710714043      0.5143577261     -2.8855209166
  O       3.0921374773     -2.4960526578     -0.8804199859
  H       2.8795579138     -2.1125465567     -1.7312812193
  H       3.9235865646     -2.9486380347     -1.0221617606
  O       3.0012229476     -1.2667679464     -3.3608586856
  H       2.3892904545     -1.4810480686     -4.0650280488
  H       3.8025245782     -1.7388502073     -3.5873225338
  O       4.1784651425      1.1785472522     -2.7762090306
  H       3.7614370290      1.4949055084     -1.9748122218
  H       3.6428573463      0.4329632830     -3.0472453242
  O       5.9819822043      3.3567152002     -2.7686817703
  H       5.8248405324      3.6061456843     -1.8580101679
  H       5.2719182695      2.7496133836     -2.9771726133
  O       6.0860440431     -0.6634698444      3.8699359298
  H       6.4608347982      0.1528066415      3.5390939323
  H       6.3557939604     -0.6967531120      4.7877371310
  O       7.1002037180      1.6195721598      2.8595380424
  H       6.5426791672      2.3970382403      2.8902741429
  H       7.4907339952      1.6386965967      1.9858377521
  O       7.7139893267      1.4927767786      0.1278592618
  H       7.4710459118      0.5702953141      0.0488764546
  H       8.1194260023      1.7069609375     -0.7123657599
  O       5.3950621408     -4.5253717214      1.4893591391
  H       5.6821318067     -5.3431553084      1.8956261089
  H       6.0265607071     -3.8726286054      1.7916302495
  O       5.3134112073      3.7266447468      2.7147545764
  H       4.5057991712      3.2128437835      2.7165456977
  H       5.1295454737      4.4647683829      3.2957870442
  O       8.2931476401      2.0045119184     -2.5509082059
  H       8.9883367620      2.3964096068     -3.0794534977
  H       7.5341363886      2.5694571843     -2.6957205172
  O       3.0660737788     -3.0561307644      1.8944834068
  H       2.7850672661     -2.9753310706      0.9830347860
  H       3.8162502783     -3.6498063371      1.8626028053
  O       6.7895172968     -1.0652425910     -0.2879477510
  H       6.8110089541     -0.8005272089     -1.2075649072
  H       5.9132016063     -0.8227065227      0.0111824966
  O       3.1158612158      2.1943342789      2.4772957805
  H       3.1008181129      1.2757681393      2.7460741115
  H       2.9832244614      2.1693030657      1.5296604241
  O       7.0871099890     -2.5308813525      2.1182809938
  H       7.2431156066     -2.0034565087      1.3348799980
  H       6.7854677661     -1.9026127657      2.7744230449
  O       5.3696589575     -2.5022946725     -3.6901487016
  H       5.5390458021     -3.0600813898     -2.9309294225
  H       5.9534389363     -1.7529154793     -3.5724049116
  O       5.6359081311     -3.4709579916     -1.0583839077
  H       6.1600863128     -2.7179602547     -0.7855039323
  H       5.5866152364     -4.0242167417     -0.2788283901
  O       5.7191510762      3.3632068623      0.0090179622
  H       5.6133145145      3.6882915332      0.9030819520
  H       6.4243358525      2.7188126558      0.0698651220
  C      -0.1759577775      0.3260908220      2.3966490847
  C      -1.2040517026      1.0496301468      3.0126966018
  C      -2.3827125573      0.3605063629      3.5037226323
  C      -1.4263907002     -1.7778288643      2.7229961053
  C      -0.2891137859     -1.1129008836      2.2492104815
  C       0.2837982503     -1.4787025421      0.9673366508
  C       0.7510333659     -0.2657886990      0.3225336640
  C       0.4668885149      0.8496349481      1.2058973284
  C      -5.3631408783     -0.2356290172     -2.4187006075
  C      -4.3350469532     -0.9591683420     -3.0347481246
  C      -3.1563860985     -0.2700445581     -3.5257741550
  C      -5.2499848699      1.2033626884     -2.2712620043
  C      -3.0472031092      1.1184227474     -3.3835122617
  C      -5.8228969061      1.5691643469     -0.9893881736
  C      -6.2901320217      0.3562505038     -0.3445851867
  C      -6.0059871707     -0.7591731432     -1.2279488511
  C      -1.6267102565      2.3230421946      2.4604094791
  C      -3.7561625745     -1.6194425294      2.9652057925
  C      -2.4918955466     -1.0279609426      3.3614607389
  C      -1.4793429874     -3.1857123127      0.6952823240
  C       0.0116342000     -1.1682728580     -1.8535578160
  C      -0.0794437796      2.2363246660     -0.7626492422
  C      -3.9123883993     -2.2325803897     -2.4824610019
  C      -1.7829360813      1.7099043342     -2.9872573153
  C      -1.0064349231      2.8282041734      1.3114661751
  C      -3.1927894999      3.5440876320      0.4148461574
  C      -4.7537009497      0.6373024035      2.8725642388
  C      -4.3085438598     -2.9933729884      0.9894140671
  C      -2.4725101976     -2.3304685284     -2.6321548204
  C      -2.3463091559     -3.4536258272     -0.4368976802
  C      -5.5507328558      1.2587346628      1.8315062932
  C      -0.7853977061     -0.5468405987     -2.8946157616
  C      -1.2305547960      3.0838347932     -1.0114655899
  C      -3.0665884582      2.4209303332      2.6101032977
  C      -5.4596548762     -2.1458628612      0.7405977194
  C      -4.0597556684      3.2761741175     -0.7173338468
  C      -3.5338235737      1.2080164901      3.2549062845
  C      -5.5981685790     -1.9878744468     -0.6950530643
  C       0.0590699232      2.0783362516      0.6730015415
  C      -0.3006821327     -2.4965885288      0.2042562936
  C       0.6173830216     -0.1133474209     -1.0627100236
  C      -3.8356357954      3.0205435114      1.6055979216
  C      -6.1564816774      0.2038092257      1.0406585008
  C      -1.7034628604     -2.9300817066     -1.6276494444
  C      -0.6722417009      0.8921511123     -2.7471771506
  C      -1.8034668291      3.4496364463      0.2704082329
  C      -3.4720177267     -2.7348661711      2.0818421359
  C      -4.8668569549     -0.8016893075      2.7251256278
  C      -3.7356318267     -3.3591746415     -0.2924597557
  C      -2.0052750821     -1.1175546853     -3.2769578073
  C      -2.0670809291      2.8253279759     -2.1038936587
  C      -5.7338231235     -1.0696028220      1.5929456235
  C      -5.2384165232      2.5870503336     -0.2263078164
  C      -4.5326637327     -2.7377423686     -1.3335176979
  C      -4.1127079556      1.8682906691     -2.7450476281
  C      -2.0321395250     -2.8327543097      1.9321483174
  C      -0.4391958387     -2.3386001227     -1.2313944857
  C       0.1947244677      1.1600646268     -1.6149971463
  C      -3.5069591308      2.9232161145     -1.9541998402
  C      -5.0999028171      2.4290619275      1.2093429629
