 51
*****   Energy =     -723.8077531390  kJ/mol
O    4.4279056   1.3480206  -1.6921554
H    4.2857451   0.8006134  -0.9199069
H    5.2878392   1.7439158  -1.5506871
O    0.3788360  -1.6738495  -0.5472800
H   -0.0928516  -1.4758762  -1.3563223
H    1.2202459  -2.0242533  -0.8396473
O   -1.0377329   2.9210381  -3.6911322
H   -1.3210569   3.6371778  -4.2595542
H   -0.7969752   3.3480737  -2.8689957
O    1.7929865   2.1005716  -1.5622207
H    2.7443400   2.0173121  -1.6272319
H    1.4579392   1.6245444  -2.3220716
O    0.7545668   0.7644508  -3.7043777
H    0.1818644   1.4978709  -3.9287412
H    0.1561472   0.0411279  -3.5174820
O   -3.1566985  -0.2400492   1.3532874
H   -2.7138503  -1.0665432   1.1608686
H   -3.4955076  -0.3504785   2.2416825
O    3.7087886  -0.2535208   0.3474680
H    3.4990645  -1.0655229  -0.1139434
H    2.8682972   0.0531047   0.6877427
O    3.2345737  -0.5232401  -3.3792483
H    3.7468564   0.1674745  -2.9588773
H    2.4426593  -0.0817206  -3.6861099
O   -1.1122404  -1.0501652  -2.7300208
H   -1.6181808  -0.2652135  -2.5200039
H   -1.7415955  -1.7677607  -2.6579040
O   -4.4324701  -0.4977033  -1.1053638
H   -4.1782181  -0.3838463  -0.1895994
H   -3.9560328   0.1877804  -1.5737136
O    2.9173368  -2.2955170  -1.3729692
H    3.0349780  -1.7360333  -2.1406740
H    3.3674345  -3.1097272  -1.5981488
O   -0.3627035   3.7876696  -1.2341242
H   -0.8217186   3.3165666  -0.5387113
H    0.5077392   3.3902579  -1.2591327
O   -1.9820598  -2.5401814   0.5787922
H   -2.4113088  -2.7848191  -0.2410430
H   -1.0764140  -2.3557215   0.3297694
O   -1.4289263   1.6940752   0.3658971
H   -0.5640976   1.3558550   0.5980834
H   -2.0421170   1.1229121   0.8285004
O   -3.1793577  -2.7383662  -1.9221897
H   -3.8075077  -3.3741263  -2.2649268
H   -3.7125129  -1.9817067  -1.6783783
O   -2.4792503   1.1897562  -2.1091328
H   -2.1268798   1.8392289  -2.7176163
H   -2.1175769   1.4371406  -1.2581185
O    1.0909834   0.6560696   0.6196962
H    0.8199075  -0.1839263   0.2493494
H    1.3565417   1.1777478  -0.1376431
