  117
---
 O   4.77801418631903        1.65512399676657        3.30863195199125     
 H   4.85404511865735        2.59160417414779        3.12572210103689     
 H   5.66582682911395        1.31566186620072        3.19555670234953     
 O   2.76368813536111        4.68581583264792        6.24753706628384     
 H   3.17041879600314        3.82648873862725        6.13636623354408     
 H   3.34359523661511        5.14945750289364        6.85166949746370     
 O  0.198061967342051        1.64250896596749        3.18860437019375     
 H  0.977754916567740        1.09849271220652        3.07744205891886     
 H -0.534639421557536        1.04605290750753        3.03491414959603     
 O  -4.20283913748776        2.20529806673060        5.89696998217546     
 H  -4.99550299917649        2.35858770169880        6.41118601562868     
 H  -3.69684118489985        3.01252664628874        5.98959790020093     
 O  3.249314810114261E-002   4.37018360334769        3.27610695430734     
 H -0.892104336486190        4.55912015665631        3.11593732798892     
 H  0.116666165296590        3.43028128036441        3.11570008006815     
 O  -2.69263561235641        4.69926597374853        3.14040161738284     
 H  -3.17738568306211        5.24039856749180        2.51716432403797     
 H  -3.08223315867216        3.82898642667027        3.05638316275321     
 O  -3.79440961082741        2.23425147924038        3.15428849440087     
 H  -4.07757399960162        2.16316612911290        4.06587866591641     
 H  -3.26046298333102        1.45353447474314        3.00727217982855     
 O  -2.03944237192141       7.572255442458554E-002   3.23215946741816     
 H  -2.18997801127878       8.672440630746761E-002   4.17738421287015     
 H  -1.86816715010087      -0.843434822050117        3.02710738979199     
 O   2.20935389732474       6.080683633921091E-002   6.02910121499067     
 H   1.40987479556010       0.576288562107804        6.13560752990477     
 H   1.93292076978217      -0.843823844211246        6.17559318296229     
 O   1.29692439916159       -2.53591516736985        6.05656878766659     
 H  0.340241739152855       -2.50622424013330        6.06698875670649     
 H   1.52104435678559       -3.25756395009935        6.64412739568455     
 O  -1.38287769956548       -2.42065292679280        5.85093447545787     
 H  -1.81239007767971       -1.58155293228122        6.01725391248698     
 H  -1.50630314982604       -2.57185343531270        4.91384515029850     
 O   3.89731351775501        2.25087723124093        5.87845700946771     
 H   4.28040268174048        2.06964052656573        5.02018677918372     
 H   3.40351709441873        1.45939778164632        6.09283334222405     
 O   1.36248103646404       -2.42168567532853        3.28053263896610     
 H   1.82373105939982       -1.59835525746151        3.12050989610433     
 H   1.46064699936506       -2.57297905646317        4.22058880506944     
 O  -2.32736904326569       0.194233094944061        5.92576533039565     
 H  -3.04424914542936       0.818259199328664        6.03937069578273     
 H  -1.53429927034843       0.711913767193234        6.06461379362428     
 O   2.59506887014460        5.40780042406595        3.58118232002031     
 H   2.64217439034361        5.25570166929778        4.52504612250513     
 H   1.71073173956174        5.13402149755818        3.33782090617442     
 O -1.561878603692693E-002   1.61673583730844        5.87539677420799     
 H -4.667780223257360E-003   2.54177834334712        6.12117772621544     
 H  6.186444489113951E-002   1.62097660170152        4.92134740246738     
 O   2.46106210341274       0.124679775582616        3.32096363535570     
 H   3.25790667006629       0.622243885355602        3.13738658848742     
 H   2.42411338874000       7.458497793617527E-002   4.27613751618010     
 O   5.00412336183183        4.32803686964471        3.02317464392877     
 H   4.14782509246939        4.72697490409349        3.17755585209022     
 H   5.48485617495638        4.98095894489190        2.51443053839378     
 O  -2.75053599503397        4.47902435637234        5.89958651814109     
 H  -1.82447416166278        4.52488397764842        6.13736417643967     
 H  -2.77223750358770        4.71570590827078        4.97236339159938     
 O  3.571085060520278E-002   4.33780762473863        6.00898987209967     
 H  0.937546181369264        4.53507669702786        6.26199142976319     
 H  3.095393609784913E-002   4.41833596543662        5.05519513685253     
 O  -1.32471014109480       -2.57007800933396        3.08423591689876     
 H -0.368050189702088       -2.54285702114871        3.06713053529340     
 H  -1.55758065820005       -3.23325652621373        2.43446871559615     
 C  -4.91902429349561        1.42000000000000       0.000000000000000E+000
 C  -4.91902429349561        2.84000000000000       0.000000000000000E+000
 C  -3.68926822012171        3.55000000000000       0.000000000000000E+000
 C  -3.68926822012171        4.97000000000000       0.000000000000000E+000
 C  -2.45951214674781        5.68000000000000       0.000000000000000E+000
 C  -2.45951214674781        7.10000000000000       0.000000000000000E+000
 C  -1.22975607337390        7.81000000000000       0.000000000000000E+000
 C  -3.68926822012171      -0.710000000000000       0.000000000000000E+000
 C  -3.68926822012171       0.710000000000000       0.000000000000000E+000
 C  -2.45951214674781        1.42000000000000       0.000000000000000E+000
 C  -2.45951214674781        2.84000000000000       0.000000000000000E+000
 C  -1.22975607337390        3.55000000000000       0.000000000000000E+000
 C  -1.22975607337390        4.97000000000000       0.000000000000000E+000
 C -2.220446049250313E-016   5.68000000000000       0.000000000000000E+000
 C  0.000000000000000E+000   7.10000000000000       0.000000000000000E+000
 C   1.22975607337390        7.81000000000000       0.000000000000000E+000
 C  -2.45951214674781       -2.84000000000000       0.000000000000000E+000
 C  -2.45951214674781       -1.42000000000000       0.000000000000000E+000
 C  -1.22975607337390      -0.710000000000000       0.000000000000000E+000
 C  -1.22975607337390       0.710000000000000       0.000000000000000E+000
 C -2.220446049250313E-016   1.42000000000000       0.000000000000000E+000
 C  0.000000000000000E+000   2.84000000000000       0.000000000000000E+000
 C   1.22975607337390        3.55000000000000       0.000000000000000E+000
 C   1.22975607337390        4.97000000000000       0.000000000000000E+000
 C   2.45951214674781        5.68000000000000       0.000000000000000E+000
 C   2.45951214674781        7.10000000000000       0.000000000000000E+000
 C   3.68926822012171        7.81000000000000       0.000000000000000E+000
 C  -1.22975607337390       -3.55000000000000       0.000000000000000E+000
 C -2.220446049250313E-016  -2.84000000000000       0.000000000000000E+000
 C  0.000000000000000E+000  -1.42000000000000       0.000000000000000E+000
 C   1.22975607337390      -0.710000000000000       0.000000000000000E+000
 C   1.22975607337390       0.710000000000000       0.000000000000000E+000
 C   2.45951214674781        1.42000000000000       0.000000000000000E+000
 C   2.45951214674781        2.84000000000000       0.000000000000000E+000
 C   3.68926822012171        3.55000000000000       0.000000000000000E+000
 C   3.68926822012171        4.97000000000000       0.000000000000000E+000
 C   4.91902429349561        5.68000000000000       0.000000000000000E+000
 C   4.91902429349561        7.10000000000000       0.000000000000000E+000
 C   1.22975607337390       -3.55000000000000       0.000000000000000E+000
 C   2.45951214674781       -2.84000000000000       0.000000000000000E+000
 C   2.45951214674781       -1.42000000000000       0.000000000000000E+000
 C   3.68926822012171      -0.710000000000000       0.000000000000000E+000
 C   3.68926822012171       0.710000000000000       0.000000000000000E+000
 C   4.91902429349561        1.42000000000000       0.000000000000000E+000
 C   4.91902429349561        2.84000000000000       0.000000000000000E+000
 C   6.14878036686951        3.55000000000000       0.000000000000000E+000
 C   6.14878036686951        4.97000000000000       0.000000000000000E+000
 C   3.68926822012171       -3.55000000000000       0.000000000000000E+000
 C   4.91902429349561       -2.84000000000000       0.000000000000000E+000
 C   4.91902429349561       -1.42000000000000       0.000000000000000E+000
 C   6.14878036686951      -0.710000000000000       0.000000000000000E+000
 C   6.14878036686951       0.710000000000000       0.000000000000000E+000
 C   7.37853644024342        1.42000000000000       0.000000000000000E+000
 C   7.37853644024342        2.84000000000000       0.000000000000000E+000
