      69
 i =      346, E =      -582.6261180727
  O        24.1087535004       21.3399695226       17.3055423232
  O        23.8449505086       18.4571453195       17.5193708013
  O        18.1105778746       17.6487195315       17.5765653557
  O        18.1133758396       25.3961603820       17.5039549907
  O        18.1177400094       22.4916435386       17.2438413655
  O        19.9883760119       16.3591784229       19.3920979284
  O        19.5915131365       23.9802807884       19.7953786473
  O        25.1872996777       20.1313152860       19.7322180236
  O        21.4915560921       20.2069030845       17.7933540802
  O        15.9021002627       15.6876636787       18.2515495139
  O        17.7160678748       14.3402569335       20.1316523017
  O        17.3088671871       17.1754776785       20.4739087132
  O        18.3972845617       14.6164131200       17.3110124700
  O        15.8909904507       23.1013872046       18.1172390112
  O        17.5220816250       22.2933955761       20.4047739999
  O        16.7094472009       25.0501151348       20.3301412943
  O        22.4863719950       18.7288405835       20.2658222960
  O        22.7599714723       21.7421152395       20.0629012134
  O        20.8071494675       26.3290125549       20.3290869318
 Mg        17.9784166045       16.0250294822       18.8547060461
 Mg        17.6431168622       23.8385962383       18.8559708141
 Mg        23.3001161888       20.0678722507       18.8547376673
  H        23.9098341399       17.5084263458       17.7347318096
  H        23.6167888328       21.8832281526       16.6622764631
  H        25.0093420857       21.7151757531       17.3345554796
  H        24.4155752257       18.5935624701       16.7382166818
  H        17.8479040730       17.8135987744       16.6536739424
  H        18.3368865262       25.1215541945       16.5937705707
  H        18.4988955171       21.6068109809       17.3557241071
  H        21.4114726875       19.7143006452       16.9563437163
  H        20.1721280657       17.3124938486       19.5740915025
  H        20.0044470319       24.8824575635       19.9555688094
  H        25.9867595209       19.5949896680       19.5856351024
  H        20.6620483155       20.0174819930       18.3200409384
  H        18.3459350889       18.5078458419       18.0175225160
  H        17.6191614865       26.2325485345       17.4117883099
  H        17.0810479868       22.4257593139       17.3261219543
  H        20.4701239820       15.8439013154       20.0656342645
  H        19.3646474101       23.6443146736       20.6855933662
  H        25.3531599753       20.7091681921       20.5307730080
  H        15.3129143450       16.2568080129       17.7214465785
  H        15.3329313235       14.9686943646       18.5884046494
  H        17.5195260536       14.3553848560       21.0880391985
  H        17.8367455899       13.3995217197       19.8976988745
  H        16.3863869950       17.2754009648       20.7752782001
  H        17.7545338133       18.0442522691       20.6156815202
  H        17.7097395437       14.2024659096       16.7543108456
  H        19.2514715050       14.3185151501       16.9454386002
  H        15.2945699963       23.5604385798       17.5005618383
  H        15.0849332636       22.9734474527       19.5035521447
  H        16.5680217567       22.2896969577       20.7126772510
  H        17.8000383006       21.3690811966       20.2663952560
  H        15.8790458457       24.5759598159       20.6223420241
  H        16.6180652951       25.9888415285       20.5649627887
  H        21.5878774917       19.0146735225       20.5397196119
  H        22.9576323557       18.4584291906       21.1163216625
  H        22.1456466938       22.4698283350       19.8495579239
  H        23.3754283354       22.0631267365       20.7641551164
  H        20.9108522739       27.0576621022       19.6905885656
  H        20.8118174109       26.7589481814       21.2033722141
  O        23.7065779351       18.0503615548       22.5545423790
  H        24.4135845591       17.3826432618       22.6289758251
  H        23.2768256759       18.0568278196       23.4296649581
  O        25.0506689401       21.8934719773       21.7526048245
  H        25.0410486962       21.5762813631       22.6774318627
  H        25.6569899414       22.6620139217       21.7654659255
  O        15.0152638801       23.0281151171       20.5299801183
  H        14.0989879689       22.8634729299       20.8144023322
 Cl        19.2813518489       19.4663006911       19.6967814817
