 99
Energy of minimum    547=    -559.2707975393
  O      -4.3584190254      2.8494621426      1.3121353644
  H      -5.2725752079      3.0632615130      1.4987905068
  H      -4.2831585875      1.9175730290      1.5174409546
  O      -7.1301168510      3.1208160470      1.4088695350
  H      -7.7016979875      3.8294023825      1.7045589809
  H      -7.1673917139      3.1652600331      0.4534287176
  O      -3.4028663215     -3.8658343600      0.0418446327
  H      -3.7956955023     -3.4064411690     -0.7003648860
  H      -2.8366019687     -4.5263877928     -0.3572113582
  O      -4.5931742154     -2.4784763209     -1.9408134666
  H      -5.5435196554     -2.5712752871     -1.8740022740
  H      -4.4376331452     -1.5374940887     -1.8596269343
  O      -4.4900316393      0.2193783895     -1.2975263524
  H      -4.4416910212      0.1371921540     -0.3450871437
  H      -4.2784244683      1.1367695482     -1.4702912390
  O      -4.5078927488     -2.5580642486      2.1343405780
  H      -4.0849037987     -3.0453367967      1.4273203161
  H      -4.2170909872     -2.9953669656      2.9346108499
  O      -7.3282149256     -2.5542995783     -1.4461805724
  H      -7.2870202046     -2.5928007095     -0.4906427674
  H      -7.9414703733     -3.2482880523     -1.6881094727
  O      -7.1431221399     -2.4315228491      1.2448076653
  H      -6.2676916987     -2.5558867543      1.6113959910
  H      -7.3654663713     -1.5249379734      1.4567009046
  O      -4.6716321931      0.0917497142      1.4241315453
  H      -5.6245557382      0.1748115644      1.4597585732
  H      -4.4957521393     -0.7931853951      1.7437999640
  O      -7.3601474762      0.3624317098      1.2611132655
  H      -7.4271960921      1.2930050512      1.4750515238
  H      -7.4222244545      0.3305793264      0.3064595516
  O      -4.2544357172      2.9628458356     -1.3766517454
  H      -4.2068102813      3.0035661267     -0.4215048904
  H      -3.5785201885      3.5705480679     -1.6767651135
  O      -7.1891958670      0.2184091074     -1.4550031728
  H      -7.4299940640     -0.6939108673     -1.6160010954
  H      -6.2329853251      0.2253981677     -1.4979495500
  O      -7.0380376220      3.0140893566     -1.2782619866
  H      -6.1048297781      3.0912616429     -1.4767548003
  H      -7.2640798234      2.1191392181     -1.5316411724
  C       3.9379702893     -1.8713286550     -2.1424009655
  C       4.7533338160     -0.7683205127     -1.8621222223
  C       5.2933128210     -0.5857197971     -0.5278361903
  C       4.1539356266     -2.6556836093      0.1888453101
  C       3.6329158163     -2.8318730273     -1.0985926352
  C       2.2578619486     -3.2611800930     -1.2722643844
  C       1.7130864013     -2.5659620809     -2.4234077527
  C       2.7514504609     -1.7069866494     -2.9611817389
  C      -0.2652325991      1.9247113908      2.1393224967
  C      -1.0805961259      0.8217032485      1.8590437535
  C      -1.6205751309      0.6391025329      0.5247577214
  C       0.0398218738      2.8852557631      1.0955141664
  C      -1.3262314144      1.5659212573     -0.4824014807
  C       1.4148757416      3.3145628288      1.2691859155
  C       1.9596512889      2.6193448167      2.4203292839
  C       0.9212872293      1.7603693852      2.9581032700
  C       4.4118474656      0.5391665808     -2.3904252939
  C       4.6861536614     -1.0527423606      1.8194623916
  C       4.9989691045     -1.5125385215      0.4793230119
  C       1.9920863880     -3.3166236343      1.1818856320
  C      -0.4533909692     -2.3799044481     -1.2536550979
  C       1.0421036190      0.0031049598     -3.4614646716
  C      -0.7391097754     -0.4857838450      2.3873468251
  C      -1.0134159712      1.1061250964     -1.8225408604
  C       3.2669875020      0.6977383763     -3.1804578751
  C       2.7267763270      2.8086412590     -2.0190691272
  C       4.9837196623      1.2782730108      1.0615806244
  C       2.6383950451     -1.3700627620      3.1620551612
  C      -1.0680386095     -1.4764560172      1.3795700482
  C       0.9459613632     -2.7552585232      2.0159906584
  C       4.1261286593      2.4332871839      1.2505766291
  C      -1.3109819722     -1.2248902750     -1.0646590932
  C       1.0343426450      1.4234454978     -3.1651336301
  C       4.7407762997      1.5298387530     -1.3826485171
  C       2.6306340711      0.0502777760      3.4583862028
  C       1.6806513021      3.3700063702     -1.1849641008
  C       5.2855518470      0.8346207409     -0.2315051487
  C       1.2507836661      0.4987894474      3.4678571081
  C       2.4219540241     -0.4454067116     -3.4709355769
  C       1.4521073830     -3.4992243499     -0.1524004000
  C       0.3816838848     -2.1331981026     -2.4142693796
  C       3.9132961641      2.6442992581     -1.2002883552
  C       3.2910538054      2.1865808384      2.4111909107
  C      -0.2405584740     -2.5909165223      1.1972098863
  C      -1.0059274905     -0.2643458980     -2.1084674247
  C       2.4093965040      1.8527525588     -2.9914618796
  C       3.6477896105     -1.9117177873      2.3572363765
  C       4.6786651807      0.3177286338      2.1053889559
  C       1.2633411861     -1.7993698230      2.9883834108
  C      -1.6128141569     -0.7812380051      0.2284266799
  C       0.0249480797      1.9651005232     -2.3603148453
  C       3.6325401558      0.8790937450      2.9394939823
  C       2.2206303071      3.5526070857      0.1493219312
  C       0.4057501881     -0.6443556404      3.1773794063
  C      -0.4811979364      2.7090663451     -0.1919237789
  C       3.3188607764     -2.9023899596      1.3494595996
  C       0.0722569817     -3.0507126833     -0.1429294868
  C       0.0401975344     -0.8257110092     -2.9425724511
  C       0.3538769138      2.9557726954     -1.3525380685
  C       3.6004807084      3.1040954191      0.1398510180
