 81
Energy of minimum   2442=    -263.2332312298
  O      -7.8373180361      0.5703114666     -0.3071368239
  H      -7.2194629777      0.7626178828     -1.0124773147
  H      -7.4236306955      0.9280173558      0.4784464753
  O      -5.1229118927     -1.6245425208     -1.1484015876
  H      -4.9054673772     -1.4752505932     -0.2282594019
  H      -5.9663058687     -2.0766366719     -1.1253946591
  O      -5.3705677773     -1.2471239990      1.5619351417
  H      -6.1890092384     -1.6584243654      1.2840549119
  H      -5.6105825868     -0.3405615070      1.7536880509
  O      -7.6550058836     -2.0831822930      0.1299425968
  H      -8.5220939705     -2.4583259954      0.2837518650
  H      -7.8220999055     -1.1576684219     -0.0482020107
  O      -4.7296410972      2.6142383798     -0.1097927405
  H      -3.7736020050      2.6014691908     -0.1551583758
  H      -5.0124722961      2.0898160002     -0.8589386005
  O      -5.6565724692      0.8660469216     -2.0270349250
  H      -5.5827801636      0.8693499271     -2.9813805777
  H      -5.3933229163     -0.0173364229     -1.7690322538
  O      -6.2125795112      1.3926650701      1.7824336621
  H      -6.3544376514      1.9878749040      2.5185269719
  H      -5.6533197491      1.8840704771      1.1807850243
  C       4.4102446486     -0.4802109656      1.0962220019
  C       4.6063848292     -0.0853917185     -0.2325547319
  C       4.3098774390      1.2764148375     -0.6360467816
  C       3.6243630837      1.7864016118      1.6805339976
  C       3.9104598106      0.4724094153      2.0698590381
  C       3.0108738005     -0.2312693337      2.9647449531
  C       2.9546839113     -1.6187870905      2.5441778278
  C       3.8195426596     -1.7726414844      1.3893671320
  C      -2.2802942762      0.4531175763     -1.0890873777
  C      -2.4764344568      0.0582983291      0.2396893561
  C      -2.1799270666     -1.3035082268      0.6431814059
  C      -1.7805094382     -0.4995028047     -2.0627244139
  C      -1.6976901591     -2.2226811762     -0.2962702874
  C      -0.8809234281      0.2041759444     -2.9576103289
  C      -0.8247335388      1.5916937011     -2.5370432036
  C      -1.6895922872      1.7455480950     -1.3822325078
  C       4.2189602881     -0.9686360622     -1.3165386878
  C       2.7571795100      3.1066065666     -0.0563138014
  C       3.8276405315      2.1955877868      0.3034049116
  C       1.5602690210      1.7655575242      3.0353934561
  C       0.5502761202     -1.6644396458      3.1039116316
  C       2.1934376881     -3.3542642180      0.4142696495
  C      -2.0890099156      0.9415426729      1.3236733120
  C      -0.6272291376     -3.1336999560      0.0634484256
  C       3.6489984194     -2.2156880856     -1.0336861660
  C       2.0052162772     -1.9049036987     -2.8497137681
  C       2.7063251697      2.1138452449     -2.3164911736
  C       0.5071888682      3.3687724394      0.9262207269
  C      -1.5530609935      0.1256111406      2.3971042834
  C       0.1247340952      1.8778103094      2.8568483923
  C       1.5796742522      1.6373462564     -3.0967770074
  C      -0.5763747973     -2.1409386342      2.3236257978
  C       1.6227615042     -3.3958658288     -0.9190861026
  C       3.6830113660     -0.1527045300     -2.3899696591
  C      -0.0634873156      3.3271708287     -0.4071350253
  C       0.5696813514     -1.7926509135     -3.0282588319
  C       3.7392012552      1.2348132267     -1.9694025338
  C      -1.3157705992      2.5977808713     -0.3363082957
  C       3.4457209716     -2.6248742606      0.3434429199
  C       1.8567764112      0.4037509682      3.4388855059
  C       1.7463695141     -2.3225674546      2.6125177738
  C       2.5959182726     -0.6124731780     -3.1428589056
  C       0.3835808583      2.2954740653     -2.6053831496
  C      -0.4659679002      0.5853797886      3.1499935298
  C      -0.0765899528     -3.0935590132      1.3499887541
  C       2.5223475080     -2.6921870817     -1.8139720102
  C       1.8923207681      3.2604609625      1.0984968870
  C       2.2065403253      3.0664656239     -1.3428541299
  C      -0.3923971355      2.6650936923      1.8211066344
  C      -1.6092508828     -1.2619066161      1.9765371580
  C       0.2376296044     -3.2875543519     -1.0913622628
  C       0.7710053995      3.1787184090     -1.5213991937
  C       0.2731739612     -0.4308443576     -3.4317508817
  C      -1.5190480470      2.1885946963      1.0408207903
  C      -1.4944127112     -1.8134950012     -1.6733993734
  C       2.4282696902      2.4445294303      2.1719278583
  C       0.6044931281     -0.3256389796      3.5097122384
  C       1.3589449730     -3.2058117984      1.5285338179
  C      -0.2983193177     -2.4716228196     -2.1647932341
  C       1.5254572444      0.2985455903     -3.5025776142
