16
E =    88.000000000000
C       -1.8145296847     0.2836709597    -0.0447817984  0.00    0.0000000    0.0000000    0.0000000
O       -0.9096969830     1.0439835393     0.1815376146  0.00    0.0000000    0.0000000    0.0000000
O       -1.6291264652    -1.0477554694    -0.0728871400  0.00    0.0000000    0.0000000    0.0000000
C       -3.2400004120     0.6395427011    -0.3157467754  0.00    0.0000000    0.0000000    0.0000000
H       -3.6428982807     1.1256761539     0.5711331676  0.00    0.0000000    0.0000000    0.0000000
H       -3.2655023134     1.3524463992    -1.1368948258  0.00    0.0000000    0.0000000    0.0000000
H       -3.8322185195    -0.2365608385    -0.5586320561  0.00    0.0000000    0.0000000    0.0000000
O       -0.2942931496    -1.4141438165     0.1908251694  0.00    0.0000000    0.0000000    0.0000000
H        0.1628759417    -0.5571313257     0.3321495321  0.00    0.0000000    0.0000000    0.0000000
C        2.3882559880     0.5679019276    -0.0770654292  0.00    0.0000000    0.0000000    0.0000000
C        2.2304383358     0.2347421591     1.1985578837  0.00    0.0000000    0.0000000    0.0000000
H        1.5497125444     0.8028853798     1.8144108355  0.00    0.0000000    0.0000000    0.0000000
H        2.7763555220    -0.5857929082     1.6469210134  0.00    0.0000000    0.0000000    0.0000000
H        1.8452347615     1.3857529941    -0.5331799560  0.00    0.0000000    0.0000000    0.0000000
O        3.2061230790    -0.0367446782    -0.9707753384  0.00    0.0000000    0.0000000    0.0000000
H        3.6790288126    -0.7623891024    -0.5478335727  0.00    0.0000000    0.0000000    0.0000000
16
E =    87.000000000000
C       -1.8131755889     0.2837600199    -0.0461630519  0.00    0.0000000    0.0000000    0.0000000
O       -0.9092540080     1.0444186368     0.1827828394  0.00    0.0000000    0.0000000    0.0000000
O       -1.6275396445    -1.0477055237    -0.0722585779  0.00    0.0000000    0.0000000    0.0000000
C       -3.2376400758     0.6392145845    -0.3228457040  0.00    0.0000000    0.0000000    0.0000000
H       -3.6445164064     1.1243663382     0.5627637361  0.00    0.0000000    0.0000000    0.0000000
H       -3.2600127433     1.3528390927    -1.1434563810  0.00    0.0000000    0.0000000    0.0000000
H       -3.8284277830    -0.2369632110    -0.5689527932  0.00    0.0000000    0.0000000    0.0000000
O       -0.2936933964    -1.4136404538     0.1970474325  0.00    0.0000000    0.0000000    0.0000000
H        0.1632098853    -0.5563113277     0.3374305288  0.00    0.0000000    0.0000000    0.0000000
C        2.3871288713     0.5691239165    -0.0738481524  0.00    0.0000000    0.0000000    0.0000000
C        2.2351166097     0.2296661291     1.2008516968  0.00    0.0000000    0.0000000    0.0000000
H        1.5602619495     0.7973064308     1.8235819633  0.00    0.0000000    0.0000000    0.0000000
H        2.7800912833    -0.5954654271     1.6419634316  0.00    0.0000000    0.0000000    0.0000000
H        1.8448456089     1.3916712711    -0.5224030121  0.00    0.0000000    0.0000000    0.0000000
O        3.1972541223    -0.0339437796    -0.9755911754  0.00    0.0000000    0.0000000    0.0000000
H        3.6695996883    -0.7639317296    -0.5595413945  0.00    0.0000000    0.0000000    0.0000000
16
E =    86.000000000000
C       -1.8117640232     0.2838620640    -0.0474674092  0.00    0.0000000    0.0000000    0.0000000
O       -0.9092177511     1.0450949943     0.1849230465  0.00    0.0000000    0.0000000    0.0000000
O       -1.6253780912    -1.0475276463    -0.0718947274  0.00    0.0000000    0.0000000    0.0000000
C       -3.2351230784     0.6384742082    -0.3308154674  0.00    0.0000000    0.0000000    0.0000000
H       -3.6462315881     1.1241047028     0.5525658435  0.00    0.0000000    0.0000000    0.0000000
H       -3.2540779103     1.3514900890    -1.1520310853  0.00    0.0000000    0.0000000    0.0000000
H       -3.8243825851    -0.2381345878    -0.5789765814  0.00    0.0000000    0.0000000    0.0000000
O       -0.2925579070    -1.4125951646     0.2035118655  0.00    0.0000000    0.0000000    0.0000000
H        0.1637235905    -0.5548446270     0.3434151221  0.00    0.0000000    0.0000000    0.0000000
C        2.3861995376     0.5705871129    -0.0703138448  0.00    0.0000000    0.0000000    0.0000000
C        2.2401345027     0.2242910934     1.2031760890  0.00    0.0000000    0.0000000    0.0000000
H        1.5724974130     0.7920460711     1.8334479977  0.00    0.0000000    0.0000000    0.0000000
H        2.7830049075    -0.6065246650     1.6361138011  0.00    0.0000000    0.0000000    0.0000000
H        1.8458036342     1.3988184111    -0.5105463775  0.00    0.0000000    0.0000000    0.0000000
O        3.1870649318    -0.0315960500    -0.9807631422  0.00    0.0000000    0.0000000    0.0000000
H        3.6580073608    -0.7666419284    -0.5721678000  0.00    0.0000000    0.0000000    0.0000000
16
E =    85.000000000000
C       -1.8106711609     0.2840344175    -0.0487828349  0.00    0.0000000    0.0000000    0.0000000
O       -0.9103851087     1.0467262536     0.1875359048  0.00    0.0000000    0.0000000    0.0000000
O       -1.6220366538    -1.0470865796    -0.0721268879  0.00    0.0000000    0.0000000    0.0000000
C       -3.2332850163     0.6363294388    -0.3388545865  0.00    0.0000000    0.0000000    0.0000000
H       -3.6491436963     1.1220692533     0.5422423783  0.00    0.0000000    0.0000000    0.0000000
H       -3.2495194836     1.3486539243    -1.1607194424  0.00    0.0000000    0.0000000    0.0000000
H       -3.8201175494    -0.2413336699    -0.5890788771  0.00    0.0000000    0.0000000    0.0000000
O       -0.2898303841    -1.4098626229     0.2093838168  0.00    0.0000000    0.0000000    0.0000000
H        0.1647751778    -0.5512401924     0.3494962349  0.00    0.0000000    0.0000000    0.0000000
C        2.3866881839     0.5728025835    -0.0659009929  0.00    0.0000000    0.0000000    0.0000000
C        2.2453697661     0.2187470959     1.2059581689  0.00    0.0000000    0.0000000    0.0000000
H        1.5879719735     0.7890262438     1.8448844972  0.00    0.0000000    0.0000000    0.0000000
H        2.7822127475    -0.6210151059     1.6292298598  0.00    0.0000000    0.0000000    0.0000000
H        1.8520880785     1.4099249089    -0.4964218672  0.00    0.0000000    0.0000000    0.0000000
O        3.1749618365    -0.0312685950    -0.9862316230  0.00    0.0000000    0.0000000    0.0000000
H        3.6412577481    -0.7740726371    -0.5862718519  0.00    0.0000000    0.0000000    0.0000000
16
E =    84.000000000000
C       -1.8096697753     0.2842631760    -0.0500252091  0.00    0.0000000    0.0000000    0.0000000
O       -0.9122147289     1.0489772068     0.1904652600  0.00    0.0000000    0.0000000    0.0000000
O       -1.6178105580    -1.0464080973    -0.0729593347  0.00    0.0000000    0.0000000    0.0000000
C       -3.2318128613     0.6332557781    -0.3463355073  0.00    0.0000000    0.0000000    0.0000000
H       -3.6529958556     1.1172041318     0.5332065938  0.00    0.0000000    0.0000000    0.0000000
H       -3.2460662311     1.3462130110    -1.1677025241  0.00    0.0000000    0.0000000    0.0000000
H       -3.8152564297    -0.2456990197    -0.5999584769  0.00    0.0000000    0.0000000    0.0000000
O       -0.2860032666    -1.4060250052     0.2143251093  0.00    0.0000000    0.0000000    0.0000000
H        0.1662641554    -0.5462497288     0.3552243996  0.00    0.0000000    0.0000000    0.0000000
C        2.3877939136     0.5751140970    -0.0613380708  0.00    0.0000000    0.0000000    0.0000000
C        2.2503305060     0.2137568306     1.2088978230  0.00    0.0000000    0.0000000    0.0000000
H        1.6045100914     0.7878338921     1.8561789802  0.00    0.0000000    0.0000000    0.0000000
H        2.7789495472    -0.6359706601     1.6226356938  0.00    0.0000000    0.0000000    0.0000000
H        1.8612584188     1.4221583853    -0.4823060218  0.00    0.0000000    0.0000000    0.0000000
O        3.1618070588    -0.0325781828    -0.9913398100  0.00    0.0000000    0.0000000    0.0000000
H        3.6211190268    -0.7842852943    -0.6000073370  0.00    0.0000000    0.0000000    0.0000000
16
E =    83.000000000000
C       -1.8090865852     0.2845696815    -0.0514913086  0.00    0.0000000    0.0000000    0.0000000
O       -0.9145148145     1.0518245068     0.1915317939  0.00    0.0000000    0.0000000    0.0000000
O       -1.6133489794    -1.0455652454    -0.0737033209  0.00    0.0000000    0.0000000    0.0000000
C       -3.2313777320     0.6293593679    -0.3519485066  0.00    0.0000000    0.0000000    0.0000000
H       -3.6568579370     1.1111627071     0.5266943784  0.00    0.0000000    0.0000000    0.0000000
H       -3.2453703243     1.3429729214    -1.1727278232  0.00    0.0000000    0.0000000    0.0000000
H       -3.8112259400    -0.2512337356    -0.6081018364  0.00    0.0000000    0.0000000    0.0000000
O       -0.2813555997    -1.4011940663     0.2175882226  0.00    0.0000000    0.0000000    0.0000000
H        0.1680176784    -0.5400401393     0.3594583530  0.00    0.0000000    0.0000000    0.0000000
C        2.3896632763     0.5772570274    -0.0561484319  0.00    0.0000000    0.0000000    0.0000000
C        2.2556663497     0.2089033724     1.2124582674  0.00    0.0000000    0.0000000    0.0000000
H        1.6222154923     0.7873316952     1.8680194882  0.00    0.0000000    0.0000000    0.0000000
H        2.7749430145    -0.6511730311     1.6167258363  0.00    0.0000000    0.0000000    0.0000000
H        1.8724027647     1.4346367185    -0.4677055735  0.00    0.0000000    0.0000000    0.0000000
O        3.1484396373    -0.0348974348    -0.9956955464  0.00    0.0000000    0.0000000    0.0000000
H        3.5997674161    -0.7958199756    -0.6127794230  0.00    0.0000000    0.0000000    0.0000000
16
E =    82.000000000000
C       -1.8088853382     0.2847791157    -0.0531468436  0.00    0.0000000    0.0000000    0.0000000
O       -0.9168039338     1.0546315961     0.1907064900  0.00    0.0000000    0.0000000    0.0000000
O       -1.6094920157    -1.0448471964    -0.0738650748  0.00    0.0000000    0.0000000    0.0000000
C       -3.2316338521     0.6254209322    -0.3561237031  0.00    0.0000000    0.0000000    0.0000000
H       -3.6601647083     1.1056080049     0.5219249112  0.00    0.0000000    0.0000000    0.0000000
H       -3.2462992182     1.3392967069    -1.1766712697  0.00    0.0000000    0.0000000    0.0000000
H       -3.8083848254    -0.2568199560    -0.6135772018  0.00    0.0000000    0.0000000    0.0000000
O       -0.2770148679    -1.3964209060     0.2200471954  0.00    0.0000000    0.0000000    0.0000000
H        0.1695611261    -0.5338724571     0.3623974052  0.00    0.0000000    0.0000000    0.0000000
C        2.3927355119     0.5796640543    -0.0506340750  0.00    0.0000000    0.0000000    0.0000000
C        2.2609490525     0.2038814177     1.2160274123  0.00    0.0000000    0.0000000    0.0000000
H        1.6404323705     0.7866507627     1.8798360206  0.00    0.0000000    0.0000000    0.0000000
H        2.7693818234    -0.6669662812     1.6106051642  0.00    0.0000000    0.0000000    0.0000000
H        1.8863908451     1.4477994046    -0.4526915051  0.00    0.0000000    0.0000000    0.0000000
O        3.1359954801    -0.0369436996    -0.9994338444  0.00    0.0000000    0.0000000    0.0000000
H        3.5778121246    -0.8075050340    -0.6250252891  0.00    0.0000000    0.0000000    0.0000000
16
E =    81.000000000000
C       -1.8087918482     0.2849069831    -0.0549060210  0.00    0.0000000    0.0000000    0.0000000
O       -0.9188379011     1.0571687285     0.1890538342  0.00    0.0000000    0.0000000    0.0000000
O       -1.6061741302    -1.0443013808    -0.0736439056  0.00    0.0000000    0.0000000    0.0000000
C       -3.2320231647     0.6218554410    -0.3599030316  0.00    0.0000000    0.0000000    0.0000000
H       -3.6629766291     1.1009175094     0.5175451612  0.00    0.0000000    0.0000000    0.0000000
H       -3.2474010640     1.3356810741    -1.1803908945  0.00    0.0000000    0.0000000    0.0000000
H       -3.8061684895    -0.2618271081    -0.6180882732  0.00    0.0000000    0.0000000    0.0000000
O       -0.2731704927    -1.3921644686     0.2225063037  0.00    0.0000000    0.0000000    0.0000000
H        0.1708704442    -0.5282899504     0.3649617814  0.00    0.0000000    0.0000000    0.0000000
C        2.3961228704     0.5823008492    -0.0449959227  0.00    0.0000000    0.0000000    0.0000000
C        2.2662628687     0.1987832726     1.2195090048  0.00    0.0000000    0.0000000    0.0000000
H        1.6586499840     0.7856212592     1.8918108233  0.00    0.0000000    0.0000000    0.0000000
H        2.7638224426    -0.6828948488     1.6040275873  0.00    0.0000000    0.0000000    0.0000000
H        1.9008018331     1.4612309396    -0.4373534770  0.00    0.0000000    0.0000000    0.0000000
O        3.1242270247    -0.0384401065    -1.0030478517  0.00    0.0000000    0.0000000    0.0000000
H        3.5563738317    -0.8187027713    -0.6373341834  0.00    0.0000000    0.0000000    0.0000000
16
E =    80.000000000000
C       -1.8083386141     0.2850711991    -0.0568000799  0.00    0.0000000    0.0000000    0.0000000
O       -0.9205685984     1.0595135472     0.1881555929  0.00    0.0000000    0.0000000    0.0000000
O       -1.6028242825    -1.0437367180    -0.0734114607  0.00    0.0000000    0.0000000    0.0000000
C       -3.2316566611     0.6185717281    -0.3650358817  0.00    0.0000000    0.0000000    0.0000000
H       -3.6665146695     1.0940371662     0.5124844184  0.00    0.0000000    0.0000000    0.0000000
H       -3.2468742032     1.3344971909    -1.1836846737  0.00    0.0000000    0.0000000    0.0000000
H       -3.8024786657    -0.2661679653    -0.6269586356  0.00    0.0000000    0.0000000    0.0000000
O       -0.2697701676    -1.3882455338     0.2263988395  0.00    0.0000000    0.0000000    0.0000000
H        0.1720034820    -0.5231821536     0.3687704622  0.00    0.0000000    0.0000000    0.0000000
C        2.3987609528     0.5845068644    -0.0396175653  0.00    0.0000000    0.0000000    0.0000000
C        2.2720945452     0.1932502575     1.2228843200  0.00    0.0000000    0.0000000    0.0000000
H        1.6770754559     0.7830384523     1.9037546720  0.00    0.0000000    0.0000000    0.0000000
H        2.7600546435    -0.6980641572     1.5973737927  0.00    0.0000000    0.0000000    0.0000000
H        1.9131553510     1.4730831180    -0.4221964027  0.00    0.0000000    0.0000000    0.0000000
O        3.1117667783    -0.0389965053    -1.0071918509  0.00    0.0000000    0.0000000    0.0000000
H        3.5349665940    -0.8282465603    -0.6503813708  0.00    0.0000000    0.0000000    0.0000000
16
E =    79.000000000000
C       -1.8075124286     0.2852281442    -0.0587239008  0.00    0.0000000    0.0000000    0.0000000
O       -0.9218499779     1.0616361507     0.1875946452  0.00    0.0000000    0.0000000    0.0000000
O       -1.5994880233    -1.0432198446    -0.0730455287  0.00    0.0000000    0.0000000    0.0000000
C       -3.2306994401     0.6156441777    -0.3709045622  0.00    0.0000000    0.0000000    0.0000000
H       -3.6698913414     1.0872562265     0.5066306898  0.00    0.0000000    0.0000000    0.0000000
H       -3.2451607264     1.3339825583    -1.1874824627  0.00    0.0000000    0.0000000    0.0000000
H       -3.7981808833    -0.2700253045    -0.6371787563  0.00    0.0000000    0.0000000    0.0000000
O       -0.2666485276    -1.3847533702     0.2311063927  0.00    0.0000000    0.0000000    0.0000000
H        0.1731287963    -0.5186306810     0.3732519745  0.00    0.0000000    0.0000000    0.0000000
C        2.4008139070     0.5865496531    -0.0343968884  0.00    0.0000000    0.0000000    0.0000000
C        2.2778286765     0.1874281741     1.2260277438  0.00    0.0000000    0.0000000    0.0000000
H        1.6950703441     0.7794760087     1.9154310970  0.00    0.0000000    0.0000000    0.0000000
H        2.7568238227    -0.7128744720     1.5904540009  0.00    0.0000000    0.0000000    0.0000000
H        1.9242423095     1.4841594224    -0.4070241043  0.00    0.0000000    0.0000000    0.0000000
O        3.0988924287    -0.0388100335    -1.0115706878  0.00    0.0000000    0.0000000    0.0000000
H        3.5135033248    -0.8365891997    -0.6638536797  0.00    0.0000000    0.0000000    0.0000000
16
E =    78.000000000000
C       -1.8063464298     0.2853957085    -0.0607138778  0.00    0.0000000    0.0000000    0.0000000
O       -0.9227089259     1.0635961932     0.1871905896  0.00    0.0000000    0.0000000    0.0000000
O       -1.5960805959    -1.0427253411    -0.0725918706  0.00    0.0000000    0.0000000    0.0000000
C       -3.2292456895     0.6129192221    -0.3771982961  0.00    0.0000000    0.0000000    0.0000000
H       -3.6735110870     1.0786749302     0.5009689106  0.00    0.0000000    0.0000000    0.0000000
H       -3.2427170666     1.3352898277    -1.1902021370  0.00    0.0000000    0.0000000    0.0000000
H       -3.7928816229    -0.2732674620    -0.6498864315  0.00    0.0000000    0.0000000    0.0000000
O       -0.2636815420    -1.3815596706     0.2364471736  0.00    0.0000000    0.0000000    0.0000000
H        0.1742749202    -0.5144585211     0.3782426088  0.00    0.0000000    0.0000000    0.0000000
C        2.4026032018     0.5885460596    -0.0293096472  0.00    0.0000000    0.0000000    0.0000000
C        2.2831806062     0.1814843592     1.2288845747  0.00    0.0000000    0.0000000    0.0000000
H        1.7127934754     0.7754708662     1.9267030029  0.00    0.0000000    0.0000000    0.0000000
H        2.7529363125    -0.7275399890     1.5832054208  0.00    0.0000000    0.0000000    0.0000000
H        1.9352162387     1.4949003390    -0.3918963500  0.00    0.0000000    0.0000000    0.0000000
O        3.0855246757    -0.0382075870    -1.0160428833  0.00    0.0000000    0.0000000    0.0000000
H        3.4917541047    -0.8440232002    -0.6774338350  0.00    0.0000000    0.0000000    0.0000000
16
E =    77.000000000000
C       -1.8049697127     0.2855653946    -0.0627836300  0.00    0.0000000    0.0000000    0.0000000
O       -0.9233919714     1.0654609339     0.1870966441  0.00    0.0000000    0.0000000    0.0000000
O       -1.5925149207    -1.0422675196    -0.0724196663  0.00    0.0000000    0.0000000    0.0000000
C       -3.2275374890     0.6103526507    -0.3835671978  0.00    0.0000000    0.0000000    0.0000000
H       -3.6778950842     1.0667800898     0.4967401629  0.00    0.0000000    0.0000000    0.0000000
H       -3.2398340901     1.3397927702    -1.1904109114  0.00    0.0000000    0.0000000    0.0000000
H       -3.7865995232    -0.2758669416    -0.6662158482  0.00    0.0000000    0.0000000    0.0000000
O       -0.2607107773    -1.3785910352     0.2420589615  0.00    0.0000000    0.0000000    0.0000000
H        0.1754902241    -0.5105108417     0.3835077439  0.00    0.0000000    0.0000000    0.0000000
C        2.4041988991     0.5906056649    -0.0244103314  0.00    0.0000000    0.0000000    0.0000000
C        2.2882832323     0.1760235831     1.2316484734  0.00    0.0000000    0.0000000    0.0000000
H        1.7304018705     0.7721888297     1.9377252236  0.00    0.0000000    0.0000000    0.0000000
H        2.7486689663    -0.7415711490     1.5761444201  0.00    0.0000000    0.0000000    0.0000000
H        1.9461053646     1.5055487944    -0.3772105736  0.00    0.0000000    0.0000000    0.0000000
O        3.0718091155    -0.0378776028    -1.0205125152  0.00    0.0000000    0.0000000    0.0000000
H        3.4697486348    -0.8514516977    -0.6907109143  0.00    0.0000000    0.0000000    0.0000000
16
E =    76.000000000000
C       -1.8031463751     0.2858028307    -0.0649558510  0.00    0.0000000    0.0000000    0.0000000
O       -0.9234793301     1.0669202212     0.1877824131  0.00    0.0000000    0.0000000    0.0000000
O       -1.5892499175    -1.0418331591    -0.0720828714  0.00    0.0000000    0.0000000    0.0000000
C       -3.2249718027     0.6084091352    -0.3911936831  0.00    0.0000000    0.0000000    0.0000000
H       -3.6839775196     1.0485061042     0.4929129507  0.00    0.0000000    0.0000000    0.0000000
H       -3.2355955401     1.3500751909    -1.1865686463  0.00    0.0000000    0.0000000    0.0000000
H       -3.7774700738    -0.2763091278    -0.6906760665  0.00    0.0000000    0.0000000    0.0000000
O       -0.2587218243    -1.3763785475     0.2495924929  0.00    0.0000000    0.0000000    0.0000000
H        0.1763498087    -0.5076169068     0.3903499173  0.00    0.0000000    0.0000000    0.0000000
C        2.4046029640     0.5921492071    -0.0203454240  0.00    0.0000000    0.0000000    0.0000000
C        2.2931972594     0.1703189846     1.2337183575  0.00    0.0000000    0.0000000    0.0000000
H        1.7461773148     0.7672544017     1.9476654029  0.00    0.0000000    0.0000000    0.0000000
H        2.7465268311    -0.7542064451     1.5688818723  0.00    0.0000000    0.0000000    0.0000000
H        1.9533355179     1.5139793219    -0.3638082590  0.00    0.0000000    0.0000000    0.0000000
O        3.0587161121    -0.0363660606    -1.0253917845  0.00    0.0000000    0.0000000    0.0000000
H        3.4508879314    -0.8560308436    -0.7038919473  0.00    0.0000000    0.0000000    0.0000000
16
E =    75.000000000000
C       -1.8013809216     0.2860727921    -0.0670940382  0.00    0.0000000    0.0000000    0.0000000
O       -0.9239439046     1.0687162079     0.1886911111  0.00    0.0000000    0.0000000    0.0000000
O       -1.5854376395    -1.0412480184    -0.0723763843  0.00    0.0000000    0.0000000    0.0000000
C       -3.2226529227     0.6059833794    -0.3983362391  0.00    0.0000000    0.0000000    0.0000000
H       -3.6897859542     1.0308186346     0.4891655970  0.00    0.0000000    0.0000000    0.0000000
H       -3.2322077094     1.3588480628    -1.1831310063  0.00    0.0000000    0.0000000    0.0000000
H       -3.7686014694    -0.2775316968    -0.7132287403  0.00    0.0000000    0.0000000    0.0000000
O       -0.2559594970    -1.3735099571     0.2559882765  0.00    0.0000000    0.0000000    0.0000000
H        0.1774243882    -0.5039257870     0.3969120580  0.00    0.0000000    0.0000000    0.0000000
C        2.4049868865     0.5934107038    -0.0160423352  0.00    0.0000000    0.0000000    0.0000000
C        2.2987403880     0.1653441490     1.2363516981  0.00    0.0000000    0.0000000    0.0000000
H        1.7634655697     0.7637294676     1.9579323817  0.00    0.0000000    0.0000000    0.0000000
H        2.7446880060    -0.7659068457     1.5627118155  0.00    0.0000000    0.0000000    0.0000000
H        1.9608853371     1.5219629951    -0.3506117968  0.00    0.0000000    0.0000000    0.0000000
O        3.0444542113    -0.0359941274    -1.0299146307  0.00    0.0000000    0.0000000    0.0000000
H        3.4304671902    -0.8616405528    -0.7164449162  0.00    0.0000000    0.0000000    0.0000000
16
E =    74.000000000000
C       -1.8001622875     0.2863939454    -0.0689369239  0.00    0.0000000    0.0000000    0.0000000
O       -0.9252224835     1.0708377501     0.1897441409  0.00    0.0000000    0.0000000    0.0000000
O       -1.5814188691    -1.0404739202    -0.0735311531  0.00    0.0000000    0.0000000    0.0000000
C       -3.2213514879     0.6029910245    -0.4036670586  0.00    0.0000000    0.0000000    0.0000000
H       -3.6965976156     1.0091143758     0.4881959637  0.00    0.0000000    0.0000000    0.0000000
H       -3.2314224881     1.3689572969    -1.1753926016  0.00    0.0000000    0.0000000    0.0000000
H       -3.7596887847    -0.2786496045    -0.7361020538  0.00    0.0000000    0.0000000    0.0000000
O       -0.2526318203    -1.3699131003     0.2603442141  0.00    0.0000000    0.0000000    0.0000000
H        0.1785688944    -0.4993862527     0.4020500370  0.00    0.0000000    0.0000000    0.0000000
C        2.4062429211     0.5944016322    -0.0122479053  0.00    0.0000000    0.0000000    0.0000000
C        2.3038122789     0.1620848686     1.2390119247  0.00    0.0000000    0.0000000    0.0000000
H        1.7802734493     0.7632262137     1.9667535912  0.00    0.0000000    0.0000000    0.0000000
H        2.7413351659    -0.7754919796     1.5584582331  0.00    0.0000000    0.0000000    0.0000000
H        1.9703917338     1.5293004844    -0.3397829131  0.00    0.0000000    0.0000000    0.0000000
O        3.0313107181    -0.0376369102    -1.0332970586  0.00    0.0000000    0.0000000    0.0000000
H        3.4103555230    -0.8688373993    -0.7261445511  0.00    0.0000000    0.0000000    0.0000000
16
E =    73.000000000000
C       -1.7993052037     0.2867405158    -0.0705628315  0.00    0.0000000    0.0000000    0.0000000
O       -0.9270103730     1.0732465047     0.1908142222  0.00    0.0000000    0.0000000    0.0000000
O       -1.5771833357    -1.0395999131    -0.0752517026  0.00    0.0000000    0.0000000    0.0000000
C       -3.2207639271     0.5995608295    -0.4076905557  0.00    0.0000000    0.0000000    0.0000000
H       -3.7034413872     0.9872337615     0.4885778632  0.00    0.0000000    0.0000000    0.0000000
H       -3.2322376313     1.3781529183    -1.1666076981  0.00    0.0000000    0.0000000    0.0000000
H       -3.7515361738    -0.2803377422    -0.7568081266  0.00    0.0000000    0.0000000    0.0000000
O       -0.2486941566    -1.3657800284     0.2630454848  0.00    0.0000000    0.0000000    0.0000000
H        0.1799292150    -0.4941764171     0.4060171016  0.00    0.0000000    0.0000000    0.0000000
C        2.4081364507     0.5954085683    -0.0085335229  0.00    0.0000000    0.0000000    0.0000000
C        2.3084850252     0.1599026716     1.2418350179  0.00    0.0000000    0.0000000    0.0000000
H        1.7970644422     0.7649398002     1.9750835168  0.00    0.0000000    0.0000000    0.0000000
H        2.7364959511    -0.7842337709     1.5552770111  0.00    0.0000000    0.0000000    0.0000000
H        1.9816299309     1.5368577989    -0.3299756507  0.00    0.0000000    0.0000000    0.0000000
O        3.0186136729    -0.0407656760    -1.0359712778  0.00    0.0000000    0.0000000    0.0000000
H        3.3900412270    -0.8775041632    -0.7342149188  0.00    0.0000000    0.0000000    0.0000000
16
E =    72.000000000000
C       -1.7992588361     0.2870862879    -0.0717497678  0.00    0.0000000    0.0000000    0.0000000
O       -0.9302230497     1.0761894604     0.1926005603  0.00    0.0000000    0.0000000    0.0000000
O       -1.5725821858    -1.0385048771    -0.0777018120  0.00    0.0000000    0.0000000    0.0000000
C       -3.2212926235     0.5952487452    -0.4107211125  0.00    0.0000000    0.0000000    0.0000000
H       -3.7101014394     0.9677297617     0.4887425611  0.00    0.0000000    0.0000000    0.0000000
H       -3.2349987138     1.3835540175    -1.1594153144  0.00    0.0000000    0.0000000    0.0000000
H       -3.7449986401    -0.2836252441    -0.7729071124  0.00    0.0000000    0.0000000    0.0000000
O       -0.2439393311    -1.3604764501     0.2640189554  0.00    0.0000000    0.0000000    0.0000000
H        0.1812653296    -0.4875079687     0.4089146736  0.00    0.0000000    0.0000000    0.0000000
C        2.4116726110     0.5962752290    -0.0049949296  0.00    0.0000000    0.0000000    0.0000000
C        2.3128566069     0.1584669602     1.2446342943  0.00    0.0000000    0.0000000    0.0000000
H        1.8143966461     0.7685141033     1.9826100679  0.00    0.0000000    0.0000000    0.0000000
H        2.7289240111    -0.7926823700     1.5528963414  0.00    0.0000000    0.0000000    0.0000000
H        1.9971907316     1.5448214035    -0.3211804350  0.00    0.0000000    0.0000000    0.0000000
O        3.0068126301    -0.0455209753    -1.0379501716  0.00    0.0000000    0.0000000    0.0000000
H        3.3675932265    -0.8886272921    -0.7410825417  0.00    0.0000000    0.0000000    0.0000000
16
E =    71.000000000000
C       -1.7994248218     0.2874561623    -0.0727474501  0.00    0.0000000    0.0000000    0.0000000
O       -0.9338871785     1.0793236634     0.1947223095  0.00    0.0000000    0.0000000    0.0000000
O       -1.5676789867    -1.0372763002    -0.0806992452  0.00    0.0000000    0.0000000    0.0000000
C       -3.2222164622     0.5906248515    -0.4130634526  0.00    0.0000000    0.0000000    0.0000000
H       -3.7167144109     0.9479203019     0.4894722785  0.00    0.0000000    0.0000000    0.0000000
H       -3.2387322619     1.3883265101    -1.1515406585  0.00    0.0000000    0.0000000    0.0000000
H       -3.7387785509    -0.2871389817    -0.7879033846  0.00    0.0000000    0.0000000    0.0000000
O       -0.2386627689    -1.3546865716     0.2638648458  0.00    0.0000000    0.0000000    0.0000000
H        0.1827199157    -0.4802805876     0.4112021878  0.00    0.0000000    0.0000000    0.0000000
C        2.4153951051     0.5969414410    -0.0016687125  0.00    0.0000000    0.0000000    0.0000000
C        2.3172320191     0.1578533008     1.2475575425  0.00    0.0000000    0.0000000    0.0000000
H        1.8318634857     0.7733461926     1.9896679165  0.00    0.0000000    0.0000000    0.0000000
H        2.7210797991    -0.8000268493     1.5514344711  0.00    0.0000000    0.0000000    0.0000000
H        2.0133114643     1.5522690177    -0.3135648170  0.00    0.0000000    0.0000000    0.0000000
O        2.9950132970    -0.0513679228    -1.0393462190  0.00    0.0000000    0.0000000    0.0000000
H        3.3448829123    -0.9005202751    -0.7463526640  0.00    0.0000000    0.0000000    0.0000000
16
E =    70.000000000000
C       -1.7998094944     0.2877476383    -0.0736533591  0.00    0.0000000    0.0000000    0.0000000
O       -0.9375839204     1.0822997353     0.1964425773  0.00    0.0000000    0.0000000    0.0000000
O       -1.5630852119    -1.0361371123    -0.0835936673  0.00    0.0000000    0.0000000    0.0000000
C       -3.2234257109     0.5860443064    -0.4146716745  0.00    0.0000000    0.0000000    0.0000000
H       -3.7227221268     0.9293331167     0.4906935817  0.00    0.0000000    0.0000000    0.0000000
H       -3.2430602859     1.3921812314    -1.1437760199  0.00    0.0000000    0.0000000    0.0000000
H       -3.7334117732    -0.2906644114    -0.8008312275  0.00    0.0000000    0.0000000    0.0000000
O       -0.2335744878    -1.3490196954     0.2631824498  0.00    0.0000000    0.0000000    0.0000000
H        0.1840224259    -0.4731580975     0.4127314894  0.00    0.0000000    0.0000000    0.0000000
C        2.4200657612     0.5978283787     0.0015399777  0.00    0.0000000    0.0000000    0.0000000
C        2.3209494321     0.1574765164     1.2502272349  0.00    0.0000000    0.0000000    0.0000000
H        1.8489150767     0.7785405089     1.9960629537  0.00    0.0000000    0.0000000    0.0000000
H        2.7109802306    -0.8072747993     1.5499861803  0.00    0.0000000    0.0000000    0.0000000
H        2.0320884543     1.5600930425    -0.3063768311  0.00    0.0000000    0.0000000    0.0000000
O        2.9840468062    -0.0572069667    -1.0403353425  0.00    0.0000000    0.0000000    0.0000000
H        3.3209287373    -0.9127155189    -0.7509930918  0.00    0.0000000    0.0000000    0.0000000
16
E =    69.000000000000
C       -1.8004333583     0.2879777370    -0.0742072163  0.00    0.0000000    0.0000000    0.0000000
O       -0.9411720522     1.0849397434     0.1982146075  0.00    0.0000000    0.0000000    0.0000000
O       -1.5590268724    -1.0350461875    -0.0867496821  0.00    0.0000000    0.0000000    0.0000000
C       -3.2250775142     0.5818161446    -0.4147438528  0.00    0.0000000    0.0000000    0.0000000
H       -3.7289545689     0.9086580361     0.4944409308  0.00    0.0000000    0.0000000    0.0000000
H       -3.2483398672     1.3981893680    -1.1323920214  0.00    0.0000000    0.0000000    0.0000000
H       -3.7283608828    -0.2929933079    -0.8141601859  0.00    0.0000000    0.0000000    0.0000000
O       -0.2288498580    -1.3437499549     0.2612958604  0.00    0.0000000    0.0000000    0.0000000
H        0.1851670017    -0.4665913206     0.4132396167  0.00    0.0000000    0.0000000    0.0000000
C        2.4247988219     0.5986904940     0.0037912312  0.00    0.0000000    0.0000000    0.0000000
C        2.3231313886     0.1585564188     1.2523943943  0.00    0.0000000    0.0000000    0.0000000
H        1.8622970363     0.7856081476     2.0002894713  0.00    0.0000000    0.0000000    0.0000000
H        2.6999698839    -0.8122821727     1.5499508930  0.00    0.0000000    0.0000000    0.0000000
H        2.0503223209     1.5671034907    -0.3020876634  0.00    0.0000000    0.0000000    0.0000000
O        2.9757420421    -0.0637964915    -1.0404565108  0.00    0.0000000    0.0000000    0.0000000
H        3.2997219246    -0.9251301958    -0.7531359373  0.00    0.0000000    0.0000000    0.0000000
16
E =    68.000000000000
C       -1.8026920857     0.2883138706    -0.0738018441  0.00    0.0000000    0.0000000    0.0000000
O       -0.9465381122     1.0879260142     0.2006507899  0.00    0.0000000    0.0000000    0.0000000
O       -1.5557632574    -1.0337593369    -0.0907611207  0.00    0.0000000    0.0000000    0.0000000
C       -3.2289476955     0.5772154159    -0.4118828758  0.00    0.0000000    0.0000000    0.0000000
H       -3.7355920712     0.8889613368     0.5009771850  0.00    0.0000000    0.0000000    0.0000000
H       -3.2572341112     1.4022964403    -1.1191167944  0.00    0.0000000    0.0000000    0.0000000
H       -3.7261913753    -0.2958584088    -0.8223009678  0.00    0.0000000    0.0000000    0.0000000
O       -0.2242752703    -1.3379244505     0.2563525879  0.00    0.0000000    0.0000000    0.0000000
H        0.1858882982    -0.4593621465     0.4108475137  0.00    0.0000000    0.0000000    0.0000000
C        2.4310054432     0.5986050659     0.0044288020  0.00    0.0000000    0.0000000    0.0000000
C        2.3237447756     0.1617725551     1.2537349883  0.00    0.0000000    0.0000000    0.0000000
H        1.8707739168     0.7956249517     2.0005956731  0.00    0.0000000    0.0000000    0.0000000
H        2.6882567598    -0.8132291666     1.5528525638  0.00    0.0000000    0.0000000    0.0000000
H        2.0691350010     1.5712520916    -0.3029955817  0.00    0.0000000    0.0000000    0.0000000
O        2.9734334274    -0.0723917009    -1.0387857269  0.00    0.0000000    0.0000000    0.0000000
H        3.2859554873    -0.9374758390    -0.7502585438  0.00    0.0000000    0.0000000    0.0000000
16
E =    67.000000000000
C       -1.8058926579     0.2886428644    -0.0727377008  0.00    0.0000000    0.0000000    0.0000000
O       -0.9529806213     1.0910012706     0.2038345083  0.00    0.0000000    0.0000000    0.0000000
O       -1.5528784831    -1.0322393938    -0.0955801297  0.00    0.0000000    0.0000000    0.0000000
C       -3.2340801852     0.5722466526    -0.4070867980  0.00    0.0000000    0.0000000    0.0000000
H       -3.7422851187     0.8705712206     0.5094761684  0.00    0.0000000    0.0000000    0.0000000
H       -3.2680417209     1.4048487935    -1.1051963614  0.00    0.0000000    0.0000000    0.0000000
H       -3.7259797721    -0.2995854996    -0.8266134623  0.00    0.0000000    0.0000000    0.0000000
O       -0.2196628055    -1.3315085100     0.2491311615  0.00    0.0000000    0.0000000    0.0000000
H        0.1863854733    -0.4515662756     0.4066862481  0.00    0.0000000    0.0000000    0.0000000
C        2.4380585467     0.5980178166     0.0040695659  0.00    0.0000000    0.0000000    0.0000000
C        2.3232978531     0.1666885442     1.2546166573  0.00    0.0000000    0.0000000    0.0000000
H        1.8762337719     0.8082241868     1.9984324805  0.00    0.0000000    0.0000000    0.0000000
H        2.6758262294    -0.8114584759     1.5577341530  0.00    0.0000000    0.0000000    0.0000000
H        2.0884121999     1.5738926781    -0.3072549025  0.00    0.0000000    0.0000000    0.0000000
O        2.9745741466    -0.0826779321    -1.0358905968  0.00    0.0000000    0.0000000    0.0000000
H        3.2761693362    -0.9505178560    -0.7440890851  0.00    0.0000000    0.0000000    0.0000000
16
E =    66.000000000000
C       -1.8094925646     0.2889930286    -0.0713741755  0.00    0.0000000    0.0000000    0.0000000
O       -0.9601638551     1.0940434594     0.2082757757  0.00    0.0000000    0.0000000    0.0000000
O       -1.5501025262    -1.0305148895    -0.1008750731  0.00    0.0000000    0.0000000    0.0000000
C       -3.2394902765     0.5670947523    -0.4025188456  0.00    0.0000000    0.0000000    0.0000000
H       -3.7496926636     0.8504603198     0.5175440311  0.00    0.0000000    0.0000000    0.0000000
H       -3.2792224697     1.4077986608    -1.0902996703  0.00    0.0000000    0.0000000    0.0000000
H       -3.7254844638    -0.3028931699    -0.8324421696  0.00    0.0000000    0.0000000    0.0000000
O       -0.2153463877    -1.3248505181     0.2420259075  0.00    0.0000000    0.0000000    0.0000000
H        0.1865547584    -0.4435926042     0.4027262120  0.00    0.0000000    0.0000000    0.0000000
C        2.4456135218     0.5971913900     0.0030516556  0.00    0.0000000    0.0000000    0.0000000
C        2.3226328816     0.1720813322     1.2549096481  0.00    0.0000000    0.0000000    0.0000000
H        1.8808382042     0.8214380270     1.9950072422  0.00    0.0000000    0.0000000    0.0000000
H        2.6632725839    -0.8087247929     1.5627381662  0.00    0.0000000    0.0000000    0.0000000
H        2.1081651970     1.5757889498    -0.3129258409  0.00    0.0000000    0.0000000    0.0000000
O        2.9771566430    -0.0934426456    -1.0328556608  0.00    0.0000000    0.0000000    0.0000000
H        3.2680006203    -0.9635378395    -0.7370541702  0.00    0.0000000    0.0000000    0.0000000
16
E =    65.000000000000
C       -1.8131958261     0.2893307096    -0.0698080652  0.00    0.0000000    0.0000000    0.0000000
O       -0.9676471928     1.0970679042     0.2135507103  0.00    0.0000000    0.0000000    0.0000000
O       -1.5472932899    -1.0287730568    -0.1064451398  0.00    0.0000000    0.0000000    0.0000000
C       -3.2448996609     0.5619496030    -0.3981769996  0.00    0.0000000    0.0000000    0.0000000
H       -3.7573139196     0.8305370753     0.5252198751  0.00    0.0000000    0.0000000    0.0000000
H       -3.2901586776     1.4106750015    -1.0757580271  0.00    0.0000000    0.0000000    0.0000000
H       -3.7249424819    -0.3062173845    -0.8385031777  0.00    0.0000000    0.0000000    0.0000000
O       -0.2110625331    -1.3181800324     0.2349233708  0.00    0.0000000    0.0000000    0.0000000
H        0.1866215433    -0.4356061207     0.3990358601  0.00    0.0000000    0.0000000    0.0000000
C        2.4533621503     0.5963645860     0.0016862258  0.00    0.0000000    0.0000000    0.0000000
C        2.3216700776     0.1778058680     1.2549333287  0.00    0.0000000    0.0000000    0.0000000
H        1.8849671341     0.8352539669     1.9909665560  0.00    0.0000000    0.0000000    0.0000000
H        2.6501809887    -0.8056393269     1.5678844694  0.00    0.0000000    0.0000000    0.0000000
H        2.1283309834     1.5776632215    -0.3193492802  0.00    0.0000000    0.0000000    0.0000000
O        2.9802183719    -0.1045116145    -1.0297983384  0.00    0.0000000    0.0000000    0.0000000
H        3.2600673903    -0.9768426028    -0.7297178892  0.00    0.0000000    0.0000000    0.0000000
16
E =    64.000000000000
C       -1.8174934466     0.2896890719    -0.0680757747  0.00    0.0000000    0.0000000    0.0000000
O       -0.9760719528     1.1004318932     0.2190872652  0.00    0.0000000    0.0000000    0.0000000
O       -1.5444110411    -1.0267489138    -0.1123080081  0.00    0.0000000    0.0000000    0.0000000
C       -3.2510094060     0.5561961558    -0.3934959685  0.00    0.0000000    0.0000000    0.0000000
H       -3.7649961816     0.8117430106     0.5326751656  0.00    0.0000000    0.0000000    0.0000000
H       -3.3021766789     1.4113647441    -1.0623652580  0.00    0.0000000    0.0000000    0.0000000
H       -3.7253701098    -0.3107116567    -0.8423377495  0.00    0.0000000    0.0000000    0.0000000
O       -0.2064980979    -1.3106536009     0.2270559901  0.00    0.0000000    0.0000000    0.0000000
H        0.1865330687    -0.4266892177     0.3948523781  0.00    0.0000000    0.0000000    0.0000000
C        2.4616869298     0.5950770443     0.0003162890  0.00    0.0000000    0.0000000    0.0000000
C        2.3213419844     0.1836052702     1.2549647412  0.00    0.0000000    0.0000000    0.0000000
H        1.8897436951     0.8491371687     1.9866955711  0.00    0.0000000    0.0000000    0.0000000
H        2.6378515955    -0.8020844735     1.5732594078  0.00    0.0000000    0.0000000    0.0000000
H        2.1490335740     1.5786634336    -0.3260680126  0.00    0.0000000    0.0000000    0.0000000
O        2.9839095045    -0.1162086706    -1.0263766880  0.00    0.0000000    0.0000000    0.0000000
H        3.2527945205    -0.9904005384    -0.7216564461  0.00    0.0000000    0.0000000    0.0000000
16
E =    63.000000000000
C       -1.8219761146     0.2899759245    -0.0661914061  0.00    0.0000000    0.0000000    0.0000000
O       -0.9848903138     1.1036466181     0.2253433722  0.00    0.0000000    0.0000000    0.0000000
O       -1.5415926786    -1.0246905421    -0.1183543366  0.00    0.0000000    0.0000000    0.0000000
C       -3.2571439841     0.5504000936    -0.3892242517  0.00    0.0000000    0.0000000    0.0000000
H       -3.7727416233     0.7940648853     0.5392911614  0.00    0.0000000    0.0000000    0.0000000
H       -3.3137894265     1.4113113593    -1.0502392042  0.00    0.0000000    0.0000000    0.0000000
H       -3.7260245581    -0.3154429159    -0.8458744835  0.00    0.0000000    0.0000000    0.0000000
O       -0.2020844863    -1.3030210205     0.2192538525  0.00    0.0000000    0.0000000    0.0000000
H        0.1862390397    -0.4176663250     0.3907629273  0.00    0.0000000    0.0000000    0.0000000
C        2.4705626859     0.5938484059    -0.0011550628  0.00    0.0000000    0.0000000    0.0000000
C        2.3212443181     0.1896124154     1.2547889653  0.00    0.0000000    0.0000000    0.0000000
H        1.8951368623     0.8633246788     1.9822242232  0.00    0.0000000    0.0000000    0.0000000
H        2.6252186734    -0.7982995232     1.5783490981  0.00    0.0000000    0.0000000    0.0000000
H        2.1710350019     1.5797302414    -0.3328584625  0.00    0.0000000    0.0000000    0.0000000
O        2.9877177159    -0.1280547437    -1.0229863693  0.00    0.0000000    0.0000000    0.0000000
H        3.2449872260    -1.0041122943    -0.7136288083  0.00    0.0000000    0.0000000    0.0000000
16
E =    62.000000000000
C       -1.8261073001     0.2901994290    -0.0641977425  0.00    0.0000000    0.0000000    0.0000000
O       -0.9934574961     1.1065148342     0.2324392750  0.00    0.0000000    0.0000000    0.0000000
O       -1.5384286704    -1.0224651528    -0.1248861314  0.00    0.0000000    0.0000000    0.0000000
C       -3.2627599139     0.5447113845    -0.3852166317  0.00    0.0000000    0.0000000    0.0000000
H       -3.7800761968     0.7761196768     0.5453835821  0.00    0.0000000    0.0000000    0.0000000
H       -3.3247378337     1.4114138577    -1.0379623489  0.00    0.0000000    0.0000000    0.0000000
H       -3.7260750707    -0.3196833028    -0.8500908135  0.00    0.0000000    0.0000000    0.0000000
O       -0.1974525371    -1.2954019863     0.2112363288  0.00    0.0000000    0.0000000    0.0000000
H        0.1860709986    -0.4088613643     0.3871855115  0.00    0.0000000    0.0000000    0.0000000
C        2.4788214682     0.5925528147    -0.0028343128  0.00    0.0000000    0.0000000    0.0000000
C        2.3210924640     0.1964200409     1.2546221294  0.00    0.0000000    0.0000000    0.0000000
H        1.9006664601     0.8785142901     1.9774599522  0.00    0.0000000    0.0000000    0.0000000
H        2.6127778457    -0.7932298292     1.5838677290  0.00    0.0000000    0.0000000    0.0000000
H        2.1921797657     1.5802020743    -0.3403211900  0.00    0.0000000    0.0000000    0.0000000
O        2.9905601804    -0.1403980445    -1.0194366616  0.00    0.0000000    0.0000000    0.0000000
H        3.2359222926    -1.0179859737    -0.7050446819  0.00    0.0000000    0.0000000    0.0000000
16
E =    61.000000000000
C       -1.8298654345     0.2904234478    -0.0622365288  0.00    0.0000000    0.0000000    0.0000000
O       -1.0015912690     1.1093685200     0.2394683537  0.00    0.0000000    0.0000000    0.0000000
O       -1.5349854783    -1.0203054739    -0.1315138914  0.00    0.0000000    0.0000000    0.0000000
C       -3.2679941724     0.5391409144    -0.3810974899  0.00    0.0000000    0.0000000    0.0000000
H       -3.7869024975     0.7582210212     0.5516839186  0.00    0.0000000    0.0000000    0.0000000
H       -3.3352885732     1.4117317735    -1.0254754086  0.00    0.0000000    0.0000000    0.0000000
H       -3.7258489951    -0.3237136526    -0.8542728370  0.00    0.0000000    0.0000000    0.0000000
O       -0.1925165204    -1.2879325579     0.2028802293  0.00    0.0000000    0.0000000    0.0000000
H        0.1860881416    -0.4002554272     0.3839072238  0.00    0.0000000    0.0000000    0.0000000
C        2.4864294187     0.5912978006    -0.0044344693  0.00    0.0000000    0.0000000    0.0000000
C        2.3208359070     0.2035597893     1.2546736541  0.00    0.0000000    0.0000000    0.0000000
H        1.9062356230     0.8941335417     1.9728534873  0.00    0.0000000    0.0000000    0.0000000
H        2.6005481832    -0.7877112852     1.5898302322  0.00    0.0000000    0.0000000    0.0000000
H        2.2123281839     1.5806003059    -0.3479308705  0.00    0.0000000    0.0000000    0.0000000
O        2.9924268885    -0.1529303505    -1.0157586269  0.00    0.0000000    0.0000000    0.0000000
H        3.2255956541    -1.0321451376    -0.6962320604  0.00    0.0000000    0.0000000    0.0000000
16
E =    60.000000000000
C       -1.8335174738     0.2906262284    -0.0604045024  0.00    0.0000000    0.0000000    0.0000000
O       -1.0094797845     1.1122669150     0.2455456418  0.00    0.0000000    0.0000000    0.0000000
O       -1.5313625069    -1.0179656989    -0.1380091055  0.00    0.0000000    0.0000000    0.0000000
C       -3.2733614092     0.5332344103    -0.3762539240  0.00    0.0000000    0.0000000    0.0000000
H       -3.7930529033     0.7410595274     0.5587351769  0.00    0.0000000    0.0000000    0.0000000
H       -3.3464836368     1.4108855381    -1.0131218762  0.00    0.0000000    0.0000000    0.0000000
H       -3.7261720756    -0.3284504887    -0.8564201393  0.00    0.0000000    0.0000000    0.0000000
O       -0.1871204383    -1.2799595978     0.1936859567  0.00    0.0000000    0.0000000    0.0000000
H        0.1864106953    -0.3912329897     0.3799364498  0.00    0.0000000    0.0000000    0.0000000
C        2.4938163286     0.5897927483    -0.0055611894  0.00    0.0000000    0.0000000    0.0000000
C        2.3208130253     0.2106460426     1.2551209951  0.00    0.0000000    0.0000000    0.0000000
H        1.9125347706     0.9095876756     1.9688049768  0.00    0.0000000    0.0000000    0.0000000
H        2.5883462961    -0.7820032743     1.5959523536  0.00    0.0000000    0.0000000    0.0000000
H        2.2323014170     1.5804041136    -0.3548445303  0.00    0.0000000    0.0000000    0.0000000
O        2.9934558207    -0.1656264172    -1.0117456019  0.00    0.0000000    0.0000000    0.0000000
H        3.2143171761    -1.0461047638    -0.6872523932  0.00    0.0000000    0.0000000    0.0000000
16
E =    59.000000000000
C       -1.8371438125     0.2909001461    -0.0588610905  0.00    0.0000000    0.0000000    0.0000000
O       -1.0174371194     1.1154558203     0.2508395769  0.00    0.0000000    0.0000000    0.0000000
O       -1.5275648788    -1.0154444993    -0.1441440117  0.00    0.0000000    0.0000000    0.0000000
C       -3.2787665735     0.5268400260    -0.3716410588  0.00    0.0000000    0.0000000    0.0000000
H       -3.7993019079     0.7222166457     0.5655048902  0.00    0.0000000    0.0000000    0.0000000
H       -3.3582667319     1.4098696359    -1.0001365682  0.00    0.0000000    0.0000000    0.0000000
H       -3.7260388001    -0.3333739802    -0.8595249762  0.00    0.0000000    0.0000000    0.0000000
O       -0.1815507477    -1.2714054033     0.1849666328  0.00    0.0000000    0.0000000    0.0000000
H        0.1867758043    -0.3815980112     0.3761026241  0.00    0.0000000    0.0000000    0.0000000
C        2.5011115421     0.5880577987    -0.0062302458  0.00    0.0000000    0.0000000    0.0000000
C        2.3215729180     0.2167354102     1.2558550401  0.00    0.0000000    0.0000000    0.0000000
H        1.9202958889     0.9236114688     1.9656948256  0.00    0.0000000    0.0000000    0.0000000
H        2.5770336389    -0.7775152153     1.6015479897  0.00    0.0000000    0.0000000    0.0000000
H        2.2519126857     1.5801530153    -0.3605647788  0.00    0.0000000    0.0000000    0.0000000
O        2.9935890703    -0.1779091544    -1.0079766245  0.00    0.0000000    0.0000000    0.0000000
H        3.2029296778    -1.0596278941    -0.6790394271  0.00    0.0000000    0.0000000    0.0000000
16
E =    58.000000000000
C       -1.8409137676     0.2910810656    -0.0575849371  0.00    0.0000000    0.0000000    0.0000000
O       -1.0255036532     1.1185403406     0.2556545626  0.00    0.0000000    0.0000000    0.0000000
O       -1.5241663678    -1.0130525805    -0.1494136992  0.00    0.0000000    0.0000000    0.0000000
C       -3.2840363252     0.5204263037    -0.3681852052  0.00    0.0000000    0.0000000    0.0000000
H       -3.8056901488     0.7040172255     0.5706244952  0.00    0.0000000    0.0000000    0.0000000
H       -3.3694925607     1.4082849459    -0.9888652513  0.00    0.0000000    0.0000000    0.0000000
H       -3.7257561445    -0.3384009201    -0.8634150746  0.00    0.0000000    0.0000000    0.0000000
O       -0.1766661038    -1.2630084268     0.1781382148  0.00    0.0000000    0.0000000    0.0000000
H        0.1866819020    -0.3719807697     0.3728725516  0.00    0.0000000    0.0000000    0.0000000
C        2.5099350823     0.5867440023    -0.0064181563  0.00    0.0000000    0.0000000    0.0000000
C        2.3224164619     0.2212167665     1.2561662118  0.00    0.0000000    0.0000000    0.0000000
H        1.9298257334     0.9353604839     1.9634817102  0.00    0.0000000    0.0000000    0.0000000
H        2.5630263271    -0.7756654641     1.6047319878  0.00    0.0000000    0.0000000    0.0000000
H        2.2759018342     1.5813608012    -0.3637443391  0.00    0.0000000    0.0000000    0.0000000
O        2.9936252519    -0.1886518028    -1.0051296945  0.00    0.0000000    0.0000000    0.0000000
H        3.1893546006    -1.0724107495    -0.6735400307  0.00    0.0000000    0.0000000    0.0000000
16
E =    57.000000000000
C       -1.8447504992     0.2911703104    -0.0563789531  0.00    0.0000000    0.0000000    0.0000000
O       -1.0335717767     1.1214280268     0.2605157343  0.00    0.0000000    0.0000000    0.0000000
O       -1.5211655496    -1.0109411308    -0.1541163972  0.00    0.0000000    0.0000000    0.0000000
C       -3.2891182802     0.5143099299    -0.3657389232  0.00    0.0000000    0.0000000    0.0000000
H       -3.8121928943     0.6878524237     0.5742763249  0.00    0.0000000    0.0000000    0.0000000
H       -3.3796697566     1.4061918650    -0.9799318645  0.00    0.0000000    0.0000000    0.0000000
H       -3.7255915038    -0.3435816028    -0.8673185500  0.00    0.0000000    0.0000000    0.0000000
O       -0.1724217346    -1.2550751087     0.1726677557  0.00    0.0000000    0.0000000    0.0000000
H        0.1862044691    -0.3627423313     0.3703291450  0.00    0.0000000    0.0000000    0.0000000
C        2.5197639118     0.5859240485    -0.0064494142  0.00    0.0000000    0.0000000    0.0000000
C        2.3232059757     0.2247720490     1.2560544949  0.00    0.0000000    0.0000000    0.0000000
H        1.9401607038     0.9458330583     1.9616179328  0.00    0.0000000    0.0000000    0.0000000
H        2.5472556667    -0.7755549107     1.6063146534  0.00    0.0000000    0.0000000    0.0000000
H        2.3027229074     1.5839404441    -0.3655694489  0.00    0.0000000    0.0000000    0.0000000
O        2.9938467443    -0.1982612212    -1.0029386579  0.00    0.0000000    0.0000000    0.0000000
H        3.1742556336    -1.0848957754    -0.6698492001  0.00    0.0000000    0.0000000    0.0000000
16
E =    56.000000000000
C       -1.8488041233     0.2912191162    -0.0551817892  0.00    0.0000000    0.0000000    0.0000000
O       -1.0421714756     1.1242458178     0.2659968963  0.00    0.0000000    0.0000000    0.0000000
O       -1.5181488519    -1.0086622928    -0.1589759566  0.00    0.0000000    0.0000000    0.0000000
C       -3.2942236650     0.5080336637    -0.3640466977  0.00    0.0000000    0.0000000    0.0000000
H       -3.8189037778     0.6721796299     0.5767538843  0.00    0.0000000    0.0000000    0.0000000
H       -3.3896161463     1.4034390361    -0.9723236540  0.00    0.0000000    0.0000000    0.0000000
H       -3.7253378501    -0.3490532158    -0.8715569891  0.00    0.0000000    0.0000000    0.0000000
O       -0.1683481894    -1.2469270641     0.1677369695  0.00    0.0000000    0.0000000    0.0000000
H        0.1854433907    -0.3533344942     0.3683216765  0.00    0.0000000    0.0000000    0.0000000
C        2.5300274437     0.5849005661    -0.0064278674  0.00    0.0000000    0.0000000    0.0000000
C        2.3248323873     0.2282328278     1.2559730793  0.00    0.0000000    0.0000000    0.0000000
H        1.9518928949     0.9560271539     1.9600662119  0.00    0.0000000    0.0000000    0.0000000
H        2.5323520749    -0.7751777188     1.6076508889  0.00    0.0000000    0.0000000    0.0000000
H        2.3301298183     1.5859596853    -0.3669723933  0.00    0.0000000    0.0000000    0.0000000
O        2.9938232400    -0.2077822519    -1.0010799894  0.00    0.0000000    0.0000000    0.0000000
H        3.1589760082    -1.0969397305    -0.6668895209  0.00    0.0000000    0.0000000    0.0000000
16
E =    55.000000000000
C       -1.8521585177     0.2912781137    -0.0541600094  0.00    0.0000000    0.0000000    0.0000000
O       -1.0501395581     1.1270504934     0.2713767619  0.00    0.0000000    0.0000000    0.0000000
O       -1.5143882580    -1.0062951910    -0.1640455531  0.00    0.0000000    0.0000000    0.0000000
C       -3.2986040795     0.5016616446    -0.3625016416  0.00    0.0000000    0.0000000    0.0000000
H       -3.8246804140     0.6569693390     0.5789881715  0.00    0.0000000    0.0000000    0.0000000
H       -3.3989232696     1.4001391318    -0.9653661435  0.00    0.0000000    0.0000000    0.0000000
H       -3.7244587417    -0.3548411407    -0.8753755974  0.00    0.0000000    0.0000000    0.0000000
O       -0.1636167284    -1.2386770475     0.1627173612  0.00    0.0000000    0.0000000    0.0000000
H        0.1852169937    -0.3438606783     0.3665662898  0.00    0.0000000    0.0000000    0.0000000
C        2.5392934023     0.5837542855    -0.0060367592  0.00    0.0000000    0.0000000    0.0000000
C        2.3265147764     0.2318372080     1.2564149342  0.00    0.0000000    0.0000000    0.0000000
H        1.9647117920     0.9663817886     1.9593468152  0.00    0.0000000    0.0000000    0.0000000
H        2.5173137548    -0.7744200935     1.6093800403  0.00    0.0000000    0.0000000    0.0000000
H        2.3566009321     1.5876390440    -0.3677837537  0.00    0.0000000    0.0000000    0.0000000
O        2.9913785271    -0.2174249380    -0.9993303494  0.00    0.0000000    0.0000000    0.0000000
H        3.1413511746    -1.1089586244    -0.6642376286  0.00    0.0000000    0.0000000    0.0000000
16
E =    54.000000000000
C       -1.8543660869     0.2912902852    -0.0533228846  0.00    0.0000000    0.0000000    0.0000000
O       -1.0568817289     1.1297502124     0.2762846850  0.00    0.0000000    0.0000000    0.0000000
O       -1.5095870238    -1.0039042062    -0.1691104905  0.00    0.0000000    0.0000000    0.0000000
C       -3.3018441704     0.4952851047    -0.3609206058  0.00    0.0000000    0.0000000    0.0000000
H       -3.8288804402     0.6429579809     0.5812069370  0.00    0.0000000    0.0000000    0.0000000
H       -3.4070184815     1.3961722949    -0.9592963854  0.00    0.0000000    0.0000000    0.0000000
H       -3.7228863179    -0.3609644772    -0.8781362181  0.00    0.0000000    0.0000000    0.0000000
O       -0.1577080491    -1.2302283732     0.1572191186  0.00    0.0000000    0.0000000    0.0000000
H        0.1858767410    -0.3343449429     0.3651128414  0.00    0.0000000    0.0000000    0.0000000
C        2.5468038447     0.5824771868    -0.0051997925  0.00    0.0000000    0.0000000    0.0000000
C        2.3277462193     0.2355598050     1.2575376962  0.00    0.0000000    0.0000000    0.0000000
H        1.9780626227     0.9765989764     1.9596240602  0.00    0.0000000    0.0000000    0.0000000
H        2.5016914616    -0.7732369692     1.6115704133  0.00    0.0000000    0.0000000    0.0000000
H        2.3813428063     1.5888021334    -0.3679806381  0.00    0.0000000    0.0000000    0.0000000
O        2.9855375936    -0.2271465666    -0.9975197398  0.00    0.0000000    0.0000000    0.0000000
H        3.1194234007    -1.1208391683    -0.6617226345  0.00    0.0000000    0.0000000    0.0000000
16
E =    53.000000000000
C       -1.8559695636     0.2912770071    -0.0526504625  0.00    0.0000000    0.0000000    0.0000000
O       -1.0627756634     1.1324736845     0.2803931984  0.00    0.0000000    0.0000000    0.0000000
O       -1.5044285294    -1.0016902441    -0.1735948800  0.00    0.0000000    0.0000000    0.0000000
C       -3.3044704893     0.4890785278    -0.3594108871  0.00    0.0000000    0.0000000    0.0000000
H       -3.8323963677     0.6295234651     0.5833824509  0.00    0.0000000    0.0000000    0.0000000
H       -3.4142737394     1.3922548669    -0.9535505578  0.00    0.0000000    0.0000000    0.0000000
H       -3.7209384409    -0.3669807360    -0.8807151199  0.00    0.0000000    0.0000000    0.0000000
O       -0.1512958215    -1.2218627086     0.1517259598  0.00    0.0000000    0.0000000    0.0000000
H        0.1868662208    -0.3249833195     0.3641574315  0.00    0.0000000    0.0000000    0.0000000
C        2.5532952501     0.5813325917    -0.0040315234  0.00    0.0000000    0.0000000    0.0000000
C        2.3286108475     0.2387595073     1.2589209830  0.00    0.0000000    0.0000000    0.0000000
H        1.9909886042     0.9857922882     1.9606642104  0.00    0.0000000    0.0000000    0.0000000
H        2.4860785645    -0.7728159567     1.6133496811  0.00    0.0000000    0.0000000    0.0000000
H        2.4047083417     1.5902855337    -0.3673939227  0.00    0.0000000    0.0000000    0.0000000
O        2.9782413809    -0.2363946230    -0.9958114893  0.00    0.0000000    0.0000000    0.0000000
H        3.0950318191    -1.1326699879    -0.6598772833  0.00    0.0000000    0.0000000    0.0000000
16
E =    52.000000000000
C       -1.8576239416     0.2913494531    -0.0523229968  0.00    0.0000000    0.0000000    0.0000000
O       -1.0687759741     1.1354429142     0.2836832708  0.00    0.0000000    0.0000000    0.0000000
O       -1.4994180148    -0.9994133201    -0.1772994731  0.00    0.0000000    0.0000000    0.0000000
C       -3.3070574703     0.4826932290    -0.3587016958  0.00    0.0000000    0.0000000    0.0000000
H       -3.8363435062     0.6141133791     0.5846665546  0.00    0.0000000    0.0000000    0.0000000
H       -3.4218091484     1.3888640924    -0.9473014961  0.00    0.0000000    0.0000000    0.0000000
H       -3.7182541346    -0.3725946881    -0.8854431519  0.00    0.0000000    0.0000000    0.0000000
O       -0.1452722887    -1.2134171414     0.1479413975  0.00    0.0000000    0.0000000    0.0000000
H        0.1877737919    -0.3154246431     0.3635603859  0.00    0.0000000    0.0000000    0.0000000
C        2.5599648264     0.5798754532    -0.0025756771  0.00    0.0000000    0.0000000    0.0000000
C        2.3299410769     0.2403516162     1.2602237569  0.00    0.0000000    0.0000000    0.0000000
H        2.0045939729     0.9922754084     1.9625255994  0.00    0.0000000    0.0000000    0.0000000
H        2.4709538848    -0.7738963122     1.6139261946  0.00    0.0000000    0.0000000    0.0000000
H        2.4281315312     1.5913616943    -0.3652956216  0.00    0.0000000    0.0000000    0.0000000
O        2.9709856478    -0.2442800062    -0.9948911891  0.00    0.0000000    0.0000000    0.0000000
H        3.0715031938    -1.1428427184    -0.6598011087  0.00    0.0000000    0.0000000    0.0000000
16
E =    51.000000000000
C       -1.8596748561     0.2914714078    -0.0523687449  0.00    0.0000000    0.0000000    0.0000000
O       -1.0749531255     1.1385470560     0.2857722099  0.00    0.0000000    0.0000000    0.0000000
O       -1.4952303132    -0.9973037391    -0.1799830724  0.00    0.0000000    0.0000000    0.0000000
C       -3.3099597816     0.4764005765    -0.3585985869  0.00    0.0000000    0.0000000    0.0000000
H       -3.8407332372     0.5979784810     0.5852723323  0.00    0.0000000    0.0000000    0.0000000
H       -3.4297399944     1.3858544192    -0.9410631606  0.00    0.0000000    0.0000000    0.0000000
H       -3.7156631178    -0.3777794628    -0.8913625614  0.00    0.0000000    0.0000000    0.0000000
O       -0.1403120307    -1.2054209119     0.1459121419  0.00    0.0000000    0.0000000    0.0000000
H        0.1881452912    -0.3061723248     0.3632121668  0.00    0.0000000    0.0000000    0.0000000
C        2.5676439645     0.5784744004    -0.0007828076  0.00    0.0000000    0.0000000    0.0000000
C        2.3320148300     0.2402753049     1.2613516292  0.00    0.0000000    0.0000000    0.0000000
H        2.0190145029     0.9959850821     1.9651646701  0.00    0.0000000    0.0000000    0.0000000
H        2.4563256591    -0.7768986867     1.6130382277  0.00    0.0000000    0.0000000    0.0000000
H        2.4528345052     1.5927849705    -0.3614168187  0.00    0.0000000    0.0000000    0.0000000
O        2.9648579802    -0.2503939569    -0.9947662917  0.00    0.0000000    0.0000000    0.0000000
H        3.0492827314    -1.1513987290    -0.6618269924  0.00    0.0000000    0.0000000    0.0000000
16
E =    50.000000000000
C       -1.8623183733     0.2916079879    -0.0526232857  0.00    0.0000000    0.0000000    0.0000000
O       -1.0813372702     1.1416711564     0.2866496140  0.00    0.0000000    0.0000000    0.0000000
O       -1.4921237127    -0.9954000966    -0.1818678669  0.00    0.0000000    0.0000000    0.0000000
C       -3.3134864255     0.4702166392    -0.3583113216  0.00    0.0000000    0.0000000    0.0000000
H       -3.8453204819     0.5820122098     0.5861393171  0.00    0.0000000    0.0000000    0.0000000
H       -3.4385031709     1.3827766645    -0.9346494039  0.00    0.0000000    0.0000000    0.0000000
H       -3.7139234766    -0.3828061329    -0.8968358043  0.00    0.0000000    0.0000000    0.0000000
O       -0.1365248612    -1.1978865077     0.1446829916  0.00    0.0000000    0.0000000    0.0000000
H        0.1878097388    -0.2973163034     0.3625365618  0.00    0.0000000    0.0000000    0.0000000
C        2.5768282689     0.5771236743     0.0012703349  0.00    0.0000000    0.0000000    0.0000000
C        2.3343981082     0.2392335021     1.2621977836  0.00    0.0000000    0.0000000    0.0000000
H        2.0337803079     0.9979152064     1.9680481898  0.00    0.0000000    0.0000000    0.0000000
H        2.4410964562    -0.7808089014     1.6109528632  0.00    0.0000000    0.0000000    0.0000000
H        2.4799538753     1.5942296621    -0.3562805043  0.00    0.0000000    0.0000000    0.0000000
O        2.9606596348    -0.2551808535    -0.9949762927  0.00    0.0000000    0.0000000    0.0000000
H        3.0288093554    -1.1584976370    -0.6649967257  0.00    0.0000000    0.0000000    0.0000000
16
E =    49.000000000000
C       -1.8655859310     0.2917761994    -0.0529346846  0.00    0.0000000    0.0000000    0.0000000
O       -1.0881524431     1.1450319710     0.2865425534  0.00    0.0000000    0.0000000    0.0000000
O       -1.4897435770    -0.9935583159    -0.1832367343  0.00    0.0000000    0.0000000    0.0000000
C       -3.3178237293     0.4638581820    -0.3573958436  0.00    0.0000000    0.0000000    0.0000000
H       -3.8501862712     0.5665631218     0.5878480125  0.00    0.0000000    0.0000000    0.0000000
H       -3.4484168875     1.3791061421    -0.9281856287  0.00    0.0000000    0.0000000    0.0000000
H       -3.7133085849    -0.3884132901    -0.9008278807  0.00    0.0000000    0.0000000    0.0000000
O       -0.1332986238    -1.1902811350     0.1433862616  0.00    0.0000000    0.0000000    0.0000000
H        0.1870228504    -0.2883037769     0.3612720863  0.00    0.0000000    0.0000000    0.0000000
C        2.5871528986     0.5757680454     0.0035012098  0.00    0.0000000    0.0000000    0.0000000
C        2.3368676494     0.2374991290     1.2628359681  0.00    0.0000000    0.0000000    0.0000000
H        2.0481806501     0.9987547353     1.9709610159  0.00    0.0000000    0.0000000    0.0000000
H        2.4255141446    -0.7856430196     1.6081194481  0.00    0.0000000    0.0000000    0.0000000
H        2.5086798545     1.5958843185    -0.3504903337  0.00    0.0000000    0.0000000    0.0000000
O        2.9583567989    -0.2594626511    -0.9951486274  0.00    0.0000000    0.0000000    0.0000000
H        3.0101220640    -1.1651982494    -0.6684215001  0.00    0.0000000    0.0000000    0.0000000
16
E =    48.000000000000
C       -1.8698986844     0.2920761976    -0.0533254745  0.00    0.0000000    0.0000000    0.0000000
O       -1.0962596263     1.1490288182     0.2854996043  0.00    0.0000000    0.0000000    0.0000000
O       -1.4878819116    -0.9914161862    -0.1842385242  0.00    0.0000000    0.0000000    0.0000000
C       -3.3234203069     0.4566535800    -0.3558528431  0.00    0.0000000    0.0000000    0.0000000
H       -3.8557248048     0.5504556029     0.5903543605  0.00    0.0000000    0.0000000    0.0000000
H       -3.4605535465     1.3740567203    -0.9215347032  0.00    0.0000000    0.0000000    0.0000000
H       -3.7137734636    -0.3953293356    -0.9034499993  0.00    0.0000000    0.0000000    0.0000000
O       -0.1304081600    -1.1816318234     0.1419177353  0.00    0.0000000    0.0000000    0.0000000
H        0.1855934750    -0.2780832798     0.3593678034  0.00    0.0000000    0.0000000    0.0000000
C        2.5986010921     0.5736987490     0.0059288001  0.00    0.0000000    0.0000000    0.0000000
C        2.3403497978     0.2346957063     1.2634743696  0.00    0.0000000    0.0000000    0.0000000
H        2.0629455777     0.9978165790     1.9740693232  0.00    0.0000000    0.0000000    0.0000000
H        2.4116723268    -0.7910639404     1.6049947466  0.00    0.0000000    0.0000000    0.0000000
H        2.5378171373     1.5963305778    -0.3441769897  0.00    0.0000000    0.0000000    0.0000000
O        2.9582348319    -0.2635357397    -0.9952686568  0.00    0.0000000    0.0000000    0.0000000
H        2.9949923437    -1.1711796275    -0.6719411690  0.00    0.0000000    0.0000000    0.0000000
16
E =    47.000000000000
C       -1.8746967382     0.2924204692    -0.0537010421  0.00    0.0000000    0.0000000    0.0000000
O       -1.1049607940     1.1532719220     0.2841530425  0.00    0.0000000    0.0000000    0.0000000
O       -1.4862592655    -0.9891575513    -0.1850541307  0.00    0.0000000    0.0000000    0.0000000
C       -3.3295536680     0.4490822133    -0.3540675504  0.00    0.0000000    0.0000000    0.0000000
H       -3.8614394866     0.5351771893     0.5931058856  0.00    0.0000000    0.0000000    0.0000000
H       -3.4734154719     1.3678869228    -0.9157302063  0.00    0.0000000    0.0000000    0.0000000
H       -3.7149406952    -0.4032172587    -0.9047012525  0.00    0.0000000    0.0000000    0.0000000
O       -0.1276991014    -1.1725040631     0.1403540468  0.00    0.0000000    0.0000000    0.0000000
H        0.1838499976    -0.2673025684     0.3571489805  0.00    0.0000000    0.0000000    0.0000000
C        2.6106408157     0.5713013045     0.0084378479  0.00    0.0000000    0.0000000    0.0000000
C        2.3441148449     0.2314088955     1.2640244270  0.00    0.0000000    0.0000000    0.0000000
H        2.0777342210     0.9960014332     1.9772119523  0.00    0.0000000    0.0000000    0.0000000
H        2.3982405304    -0.7967041915     1.6015504645  0.00    0.0000000    0.0000000    0.0000000
H        2.5674767347     1.5961773182    -0.3375807503  0.00    0.0000000    0.0000000    0.0000000
O        2.9592005842    -0.2674681043    -0.9953865039  0.00    0.0000000    0.0000000    0.0000000
H        2.9814202332    -1.1768356759    -0.6755601540  0.00    0.0000000    0.0000000    0.0000000
16
E =    46.000000000000
C       -1.8799369114     0.2927545893    -0.0539908466  0.00    0.0000000    0.0000000    0.0000000
O       -1.1142740546     1.1576411778     0.2827943571  0.00    0.0000000    0.0000000    0.0000000
O       -1.4848591373    -0.9867680848    -0.1857776103  0.00    0.0000000    0.0000000    0.0000000
C       -3.3360812057     0.4412424931    -0.3521906146  0.00    0.0000000    0.0000000    0.0000000
H       -3.8673863377     0.5206676894     0.5958957175  0.00    0.0000000    0.0000000    0.0000000
H       -3.4867066122     1.3608180390    -0.9107166935  0.00    0.0000000    0.0000000    0.0000000
H       -3.7166114091    -0.4118463682    -0.9049899962  0.00    0.0000000    0.0000000    0.0000000
O       -0.1251536742    -1.1629213677     0.1387047422  0.00    0.0000000    0.0000000    0.0000000
H        0.1817034019    -0.2560211968     0.3548160621  0.00    0.0000000    0.0000000    0.0000000
C        2.6231409130     0.5685376843     0.0109201236  0.00    0.0000000    0.0000000    0.0000000
C        2.3481509812     0.2278661532     1.2644273360  0.00    0.0000000    0.0000000    0.0000000
H        2.0923232722     0.9935550056     1.9801884984  0.00    0.0000000    0.0000000    0.0000000
H        2.3853427822    -0.8021722664     1.5978955703  0.00    0.0000000    0.0000000    0.0000000
H        2.5973701798     1.5952123856    -0.3309111132  0.00    0.0000000    0.0000000    0.0000000
O        2.9612533969    -0.2713560731    -0.9954767084  0.00    0.0000000    0.0000000    0.0000000
H        2.9686871591    -1.1821237253    -0.6793627978  0.00    0.0000000    0.0000000    0.0000000
16
E =    45.000000000000
C       -1.8857867767     0.2931879506    -0.0542261871  0.00    0.0000000    0.0000000    0.0000000
O       -1.1245859410     1.1624051390     0.2816250086  0.00    0.0000000    0.0000000    0.0000000
O       -1.4834981365    -0.9841008411    -0.1865341391  0.00    0.0000000    0.0000000    0.0000000
C       -3.3432719352     0.4328660465    -0.3503873223  0.00    0.0000000    0.0000000    0.0000000
H       -3.8740427724     0.5060595544     0.5985345864  0.00    0.0000000    0.0000000    0.0000000
H       -3.5009413807     1.3527900982    -0.9063877214  0.00    0.0000000    0.0000000    0.0000000
H       -3.7186557009    -0.4214902492    -0.9048283195  0.00    0.0000000    0.0000000    0.0000000
O       -0.1225747028    -1.1525388209     0.1369836384  0.00    0.0000000    0.0000000    0.0000000
H        0.1792200038    -0.2438632357     0.3525692346  0.00    0.0000000    0.0000000    0.0000000
C        2.6358439353     0.5653328225     0.0132857885  0.00    0.0000000    0.0000000    0.0000000
C        2.3530647991     0.2238314535     1.2648569720  0.00    0.0000000    0.0000000    0.0000000
H        2.1070926728     0.9904699162     1.9831008549  0.00    0.0000000    0.0000000    0.0000000
H        2.3746696115    -0.8079974965     1.5944489668  0.00    0.0000000    0.0000000    0.0000000
H        2.6261408086     1.5936752815    -0.3246128095  0.00    0.0000000    0.0000000    0.0000000
O        2.9643863785    -0.2755025716    -0.9955504746  0.00    0.0000000    0.0000000    0.0000000
H        2.9581210217    -1.1875818820    -0.6829416594  0.00    0.0000000    0.0000000    0.0000000
16
E =    44.000000000000
C       -1.8924393829     0.2936961720    -0.0543915264  0.00    0.0000000    0.0000000    0.0000000
O       -1.1363474705     1.1676402670     0.2808076598  0.00    0.0000000    0.0000000    0.0000000
O       -1.4821575290    -0.9810222165    -0.1873341402  0.00    0.0000000    0.0000000    0.0000000
C       -3.3511927366     0.4237516289    -0.3488472514  0.00    0.0000000    0.0000000    0.0000000
H       -3.8815789925     0.4911157200     0.6007251339  0.00    0.0000000    0.0000000    0.0000000
H       -3.5161633890     1.3435627108    -0.9028723578  0.00    0.0000000    0.0000000    0.0000000
H       -3.7209831889    -0.4322443471    -0.9045507123  0.00    0.0000000    0.0000000    0.0000000
O       -0.1199766451    -1.1409438858     0.1352157679  0.00    0.0000000    0.0000000    0.0000000
H        0.1761928700    -0.2304469211     0.3505583645  0.00    0.0000000    0.0000000    0.0000000
C        2.6486937321     0.5613797800     0.0154912632  0.00    0.0000000    0.0000000    0.0000000
C        2.3594458481     0.2191847502     1.2653649424  0.00    0.0000000    0.0000000    0.0000000
H        2.1221888540     0.9863056608     1.9859790215  0.00    0.0000000    0.0000000    0.0000000
H        2.3677094782    -0.8138839651     1.5913979763  0.00    0.0000000    0.0000000    0.0000000
H        2.6527417438     1.5908261122    -0.3188479924  0.00    0.0000000    0.0000000    0.0000000
O        2.9687733692    -0.2799900951    -0.9956320518  0.00    0.0000000    0.0000000    0.0000000
H        2.9505373282    -1.1929312691    -0.6861916205  0.00    0.0000000    0.0000000    0.0000000
16
E =    43.000000000000
C       -1.8997144143     0.2942783527    -0.0545128218  0.00    0.0000000    0.0000000    0.0000000
O       -1.1492754956     1.1732499393     0.2802788438  0.00    0.0000000    0.0000000    0.0000000
O       -1.4808647737    -0.9776175101    -0.1880779074  0.00    0.0000000    0.0000000    0.0000000
C       -3.3596367986     0.4141281171    -0.3477304224  0.00    0.0000000    0.0000000    0.0000000
H       -3.8898623947     0.4758943052     0.6023213331  0.00    0.0000000    0.0000000    0.0000000
H       -3.5319932637     1.3335253159    -0.9001811427  0.00    0.0000000    0.0000000    0.0000000
H       -3.7234280817    -0.4437761395    -0.9044887693  0.00    0.0000000    0.0000000    0.0000000
O       -0.1174492980    -1.1284922865     0.1336582418  0.00    0.0000000    0.0000000    0.0000000
H        0.1727094093    -0.2161402607     0.3489200453  0.00    0.0000000    0.0000000    0.0000000
C        2.6614686008     0.5568891277     0.0175073093  0.00    0.0000000    0.0000000    0.0000000
C        2.3671800573     0.2138675521     1.2659403631  0.00    0.0000000    0.0000000    0.0000000
H        2.1374499158     0.9810763691     1.9888470526  0.00    0.0000000    0.0000000    0.0000000
H        2.3643952475    -0.8202022547     1.5886646779  0.00    0.0000000    0.0000000    0.0000000
H        2.6768556115     1.5871962193    -0.3136015992  0.00    0.0000000    0.0000000    0.0000000
O        2.9742056522    -0.2846021905    -0.9958104927  0.00    0.0000000    0.0000000    0.0000000
H        2.9457851635    -1.1981892195    -0.6892709741  0.00    0.0000000    0.0000000    0.0000000
16
E =    42.000000000000
C       -1.9075070409     0.2949165767    -0.0546997321  0.00    0.0000000    0.0000000    0.0000000
O       -1.1630898760     1.1791594562     0.2796175671  0.00    0.0000000    0.0000000    0.0000000
O       -1.4797077444    -0.9739608729    -0.1885388287  0.00    0.0000000    0.0000000    0.0000000
C       -3.3684639975     0.4041250069    -0.3469122568  0.00    0.0000000    0.0000000    0.0000000
H       -3.8986421973     0.4603126192     0.6035022930  0.00    0.0000000    0.0000000    0.0000000
H       -3.5483482653     1.3228883572    -0.8979384963  0.00    0.0000000    0.0000000    0.0000000
H       -3.7259439425    -0.4557763515    -0.9046546332  0.00    0.0000000    0.0000000    0.0000000
O       -0.1150856432    -1.1152941137     0.1324135496  0.00    0.0000000    0.0000000    0.0000000
H        0.1687328870    -0.2010609700     0.3475005859  0.00    0.0000000    0.0000000    0.0000000
C        2.6738994347     0.5519676430     0.0194086638  0.00    0.0000000    0.0000000    0.0000000
C        2.3761987229     0.2076478418     1.2666393357  0.00    0.0000000    0.0000000    0.0000000
H        2.1525431713     0.9744315079     1.9918634785  0.00    0.0000000    0.0000000    0.0000000
H        2.3648360095    -0.8272885309     1.5861608682  0.00    0.0000000    0.0000000    0.0000000
H        2.6979863461     1.5830082298    -0.3086642802  0.00    0.0000000    0.0000000    0.0000000
O        2.9806537755    -0.2890695327    -0.9961394651  0.00    0.0000000    0.0000000    0.0000000
H        2.9442389721    -1.2032130179    -0.6922745968  0.00    0.0000000    0.0000000    0.0000000
16
E =    41.000000000000
C       -1.9156487537     0.2956615550    -0.0549591863  0.00    0.0000000    0.0000000    0.0000000
O       -1.1774059526     1.1853992277     0.2785880902  0.00    0.0000000    0.0000000    0.0000000
O       -1.4787574091    -0.9701864075    -0.1886065579  0.00    0.0000000    0.0000000    0.0000000
C       -3.3776405266     0.3939308881    -0.3462542285  0.00    0.0000000    0.0000000    0.0000000
H       -3.9078002568     0.4443901809     0.6045222733  0.00    0.0000000    0.0000000    0.0000000
H       -3.5652105286     1.3120383059    -0.8958327045  0.00    0.0000000    0.0000000    0.0000000
H       -3.7286055799    -0.4680361963    -0.9050269615  0.00    0.0000000    0.0000000    0.0000000
O       -0.1129049191    -1.1017494188     0.1315576337  0.00    0.0000000    0.0000000    0.0000000
H        0.1645239055    -0.1855587494     0.3462128138  0.00    0.0000000    0.0000000    0.0000000
C        2.6858411410     0.5467594541     0.0211931748  0.00    0.0000000    0.0000000    0.0000000
C        2.3860136096     0.2005021325     1.2673706195  0.00    0.0000000    0.0000000    0.0000000
H        2.1668885401     0.9663364224     1.9949829897  0.00    0.0000000    0.0000000    0.0000000
H        2.3684557064    -0.8353303428     1.5836384736  0.00    0.0000000    0.0000000    0.0000000
H        2.7161163712     1.5785652644    -0.3038953235  0.00    0.0000000    0.0000000    0.0000000
O        2.9881899171    -0.2931863375    -0.9966137634  0.00    0.0000000    0.0000000    0.0000000
H        2.9460669843    -1.2079081395    -0.6953028812  0.00    0.0000000    0.0000000    0.0000000
16
E =    40.000000000000
C       -1.9240039880     0.2964669012    -0.0552779385  0.00    0.0000000    0.0000000    0.0000000
O       -1.1920496066     1.1918342223     0.2771402439  0.00    0.0000000    0.0000000    0.0000000
O       -1.4779753671    -0.9662749045    -0.1882253109  0.00    0.0000000    0.0000000    0.0000000
C       -3.3869070645     0.3836030900    -0.3456661493  0.00    0.0000000    0.0000000    0.0000000
H       -3.9170283752     0.4282034547     0.6054374219  0.00    0.0000000    0.0000000    0.0000000
H       -3.5822848440     1.3009562867    -0.8937653249  0.00    0.0000000    0.0000000    0.0000000
H       -3.7312256255    -0.4803527664    -0.9055293535  0.00    0.0000000    0.0000000    0.0000000
O       -0.1109459990    -1.0878726731     0.1310732140  0.00    0.0000000    0.0000000    0.0000000
H        0.1600128496    -0.1697280702     0.3450692487  0.00    0.0000000    0.0000000    0.0000000
C        2.6972049036     0.5412854392     0.0228822962  0.00    0.0000000    0.0000000    0.0000000
C        2.3961994403     0.1924764792     1.2680248881  0.00    0.0000000    0.0000000    0.0000000
H        2.1800268119     0.9568390057     1.9980481314  0.00    0.0000000    0.0000000    0.0000000
H        2.3747582841    -0.8442432592     1.5810519636  0.00    0.0000000    0.0000000    0.0000000
H        2.7312998077     1.5738772892    -0.2992978663  0.00    0.0000000    0.0000000    0.0000000
O        2.9967641732    -0.2969019585    -0.9972316486  0.00    0.0000000    0.0000000    0.0000000
H        2.9509054573    -1.2122466084    -0.6984210949  0.00    0.0000000    0.0000000    0.0000000
16
E =    39.000000000000
C       -1.9324107503     0.2973574733    -0.0556423888  0.00    0.0000000    0.0000000    0.0000000
O       -1.2067902251     1.1984106296     0.2753571101  0.00    0.0000000    0.0000000    0.0000000
O       -1.4772913790    -0.9622472910    -0.1874723793  0.00    0.0000000    0.0000000    0.0000000
C       -3.3961568838     0.3732145979    -0.3451993885  0.00    0.0000000    0.0000000    0.0000000
H       -3.9262215476     0.4117477170     0.6062113553  0.00    0.0000000    0.0000000    0.0000000
H       -3.5994283311     1.2897764214    -0.8917058189  0.00    0.0000000    0.0000000    0.0000000
H       -3.7336503066    -0.4926817230    -0.9062578557  0.00    0.0000000    0.0000000    0.0000000
O       -0.1091549984    -1.0738253203     0.1310312319  0.00    0.0000000    0.0000000    0.0000000
H        0.1553327320    -0.1537441990     0.3441795642  0.00    0.0000000    0.0000000    0.0000000
C        2.7078433707     0.5356281488     0.0244384734  0.00    0.0000000    0.0000000    0.0000000
C        2.4065219721     0.1836844299     1.2685937658  0.00    0.0000000    0.0000000    0.0000000
H        2.1919596652     0.9461548251     2.0010740683  0.00    0.0000000    0.0000000    0.0000000
H        2.3832987614    -0.8539342029     1.5783890656  0.00    0.0000000    0.0000000    0.0000000
H        2.7435892597     1.5690480635    -0.2948552205  0.00    0.0000000    0.0000000    0.0000000
O        3.0061102528    -0.3002252652    -0.9980089598  0.00    0.0000000    0.0000000    0.0000000
H        2.9585514978    -1.2162521608    -0.7016257932  0.00    0.0000000    0.0000000    0.0000000
16
E =    38.000000000000
C       -1.9407411615     0.2982863128    -0.0560626550  0.00    0.0000000    0.0000000    0.0000000
O       -1.2215323639     1.2050146224     0.2733781961  0.00    0.0000000    0.0000000    0.0000000
O       -1.4765540693    -0.9581028707    -0.1864919494  0.00    0.0000000    0.0000000    0.0000000
C       -3.4051781717     0.3627777368    -0.3448632225  0.00    0.0000000    0.0000000    0.0000000
H       -3.9351768730     0.3951420978     0.6068147382  0.00    0.0000000    0.0000000    0.0000000
H       -3.6163583795     1.2784718036    -0.8897527585  0.00    0.0000000    0.0000000    0.0000000
H       -3.7357222472    -0.5049653270    -0.9071838624  0.00    0.0000000    0.0000000    0.0000000
O       -0.1074565760    -1.0595428236     0.1313505472  0.00    0.0000000    0.0000000    0.0000000
H        0.1504555325    -0.1375550014     0.3435553291  0.00    0.0000000    0.0000000    0.0000000
C        2.7176571890     0.5298021243     0.0258883408  0.00    0.0000000    0.0000000    0.0000000
C        2.4169474965     0.1743428659     1.2691574236  0.00    0.0000000    0.0000000    0.0000000
H        2.2029327072     0.9346034885     2.0040878495  0.00    0.0000000    0.0000000    0.0000000
H        2.3936583017    -0.8642055147     1.5757836368  0.00    0.0000000    0.0000000    0.0000000
H        2.7531976020     1.5640761951    -0.2906247996  0.00    0.0000000    0.0000000    0.0000000
O        3.0157318908    -0.3032917017    -0.9989323972  0.00    0.0000000    0.0000000    0.0000000
H        2.9686519924    -1.2200664117    -0.7048232072  0.00    0.0000000    0.0000000    0.0000000
16
E =    37.000000000000
C       -1.9489208356     0.2992501453    -0.0565227168  0.00    0.0000000    0.0000000    0.0000000
O       -1.2361882213     1.2117265100     0.2713306980  0.00    0.0000000    0.0000000    0.0000000
O       -1.4756438837    -0.9539013638    -0.1853636783  0.00    0.0000000    0.0000000    0.0000000
C       -3.4140097562     0.3523069004    -0.3446995818  0.00    0.0000000    0.0000000    0.0000000
H       -3.9439969737     0.3785073292     0.6071966789  0.00    0.0000000    0.0000000    0.0000000
H       -3.6331043902     1.2670735409    -0.8880308158  0.00    0.0000000    0.0000000    0.0000000
H       -3.7375046760    -0.5173361972    -0.9082770164  0.00    0.0000000    0.0000000    0.0000000
O       -0.1056193452    -1.0451114933     0.1319003125  0.00    0.0000000    0.0000000    0.0000000
H        0.1456545995    -0.1212036316     0.3431743741  0.00    0.0000000    0.0000000    0.0000000
C        2.7266593557     0.5238414943     0.0272595187  0.00    0.0000000    0.0000000    0.0000000
C        2.4274167817     0.1646138002     1.2697528487  0.00    0.0000000    0.0000000    0.0000000
H        2.2132889440     0.9224597845     2.0071476795  0.00    0.0000000    0.0000000    0.0000000
H        2.4053544098    -0.8748421067     1.5732800379  0.00    0.0000000    0.0000000    0.0000000
H        2.7605747812     1.5589858570    -0.2865633302  0.00    0.0000000    0.0000000    0.0000000
O        3.0252399247    -0.3062181169    -0.9999495650  0.00    0.0000000    0.0000000    0.0000000
H        2.9801586042    -1.2237512212    -0.7079622373  0.00    0.0000000    0.0000000    0.0000000
16
E =    36.000000000000
C       -1.9569336745     0.3002259004    -0.0570321663  0.00    0.0000000    0.0000000    0.0000000
O       -1.2507822540     1.2184162395     0.2691956216  0.00    0.0000000    0.0000000    0.0000000
O       -1.4745324175    -0.9495805078    -0.1841431566  0.00    0.0000000    0.0000000    0.0000000
C       -3.4225065185     0.3417595319    -0.3446871216  0.00    0.0000000    0.0000000    0.0000000
H       -3.9524309238     0.3618714790     0.6073944524  0.00    0.0000000    0.0000000    0.0000000
H       -3.6494801746     1.2554818891    -0.8865144729  0.00    0.0000000    0.0000000    0.0000000
H       -3.7388785327    -0.5297320121    -0.9094734346  0.00    0.0000000    0.0000000    0.0000000
O       -0.1037163212    -1.0304409054     0.1327019328  0.00    0.0000000    0.0000000    0.0000000
H        0.1407921099    -0.1046527190     0.3430171047  0.00    0.0000000    0.0000000    0.0000000
C        2.7349334121     0.5177542146     0.0285857167  0.00    0.0000000    0.0000000    0.0000000
C        2.4379647191     0.1545382854     1.2704242373  0.00    0.0000000    0.0000000    0.0000000
H        2.2231275386     0.9098035701     2.0102534813  0.00    0.0000000    0.0000000    0.0000000
H        2.4181801607    -0.8858439937     1.5709201589  0.00    0.0000000    0.0000000    0.0000000
H        2.7660036729     1.5537987463    -0.2826450998  0.00    0.0000000    0.0000000    0.0000000
O        3.0344871930    -0.3090210899    -1.0010829145  0.00    0.0000000    0.0000000    0.0000000
H        2.9925778187    -1.2273342167    -0.7110853483  0.00    0.0000000    0.0000000    0.0000000
16
E =    35.000000000000
C       -1.9647044361     0.3012167334    -0.0576017272  0.00    0.0000000    0.0000000    0.0000000
O       -1.2652762867     1.2251687134     0.2669371241  0.00    0.0000000    0.0000000    0.0000000
O       -1.4731298018    -0.9451519871    -0.1828358463  0.00    0.0000000    0.0000000    0.0000000
C       -3.4306664739     0.3311145727    -0.3447849160  0.00    0.0000000    0.0000000    0.0000000
H       -3.9604955953     0.3451286438     0.6074725646  0.00    0.0000000    0.0000000    0.0000000
H       -3.6655488726     1.2436656169    -0.8851682245  0.00    0.0000000    0.0000000    0.0000000
H       -3.7398115156    -0.5422272344    -0.9107519379  0.00    0.0000000    0.0000000    0.0000000
O       -0.1016275204    -1.0155463644     0.1337369351  0.00    0.0000000    0.0000000    0.0000000
H        0.1359863667    -0.0878897714     0.3430399644  0.00    0.0000000    0.0000000    0.0000000
C        2.7424400218     0.5115408120     0.0298952429  0.00    0.0000000    0.0000000    0.0000000
C        2.4484718151     0.1440921407     1.2711568309  0.00    0.0000000    0.0000000    0.0000000
H        2.2323946948     0.8966096895     2.0134429188  0.00    0.0000000    0.0000000    0.0000000
H        2.4319158212    -0.8971764774     1.5686847309  0.00    0.0000000    0.0000000    0.0000000
H        2.7695854041     1.5484683958    -0.2787744690  0.00    0.0000000    0.0000000    0.0000000
O        3.0433268064    -0.3117125112    -1.0023118482  0.00    0.0000000    0.0000000    0.0000000
H        3.0053784290    -1.2308147087    -0.7142836319  0.00    0.0000000    0.0000000    0.0000000
16
E =    34.000000000000
C       -1.9721706710     0.3022540782    -0.0582198748  0.00    0.0000000    0.0000000    0.0000000
O       -1.2796518406     1.2319836290     0.2645716963  0.00    0.0000000    0.0000000    0.0000000
O       -1.4713325829    -0.9405457447    -0.1814716345  0.00    0.0000000    0.0000000    0.0000000
C       -3.4383880584     0.3202782898    -0.3449192944  0.00    0.0000000    0.0000000    0.0000000
H       -3.9680174779     0.3281434168     0.6075161920  0.00    0.0000000    0.0000000    0.0000000
H       -3.6813147425     1.2315086628    -0.8838912973  0.00    0.0000000    0.0000000    0.0000000
H       -3.7401220962    -0.5548941036    -0.9120339415  0.00    0.0000000    0.0000000    0.0000000
O       -0.0992664396    -1.0003362896     0.1349265452  0.00    0.0000000    0.0000000    0.0000000
H        0.1312924925    -0.0708286844     0.3431734399  0.00    0.0000000    0.0000000    0.0000000
C        2.7490675869     0.5051236518     0.0311881438  0.00    0.0000000    0.0000000    0.0000000
C        2.4587422803     0.1333149969     1.2719453203  0.00    0.0000000    0.0000000    0.0000000
H        2.2408746632     0.8829390356     2.0166546530  0.00    0.0000000    0.0000000    0.0000000
H        2.4463086599    -0.9088206895     1.5665801695  0.00    0.0000000    0.0000000    0.0000000
H        2.7713033372     1.5429124492    -0.2749666710  0.00    0.0000000    0.0000000    0.0000000
O        3.0516701717    -0.3143600409    -1.0036131916  0.00    0.0000000    0.0000000    0.0000000
H        3.0184457992    -1.2342442163    -0.7175392353  0.00    0.0000000    0.0000000    0.0000000
16
E =    33.000000000000
C       -1.9792545728     0.3033512716    -0.0588408052  0.00    0.0000000    0.0000000    0.0000000
O       -1.2938337536     1.2390088942     0.2621957862  0.00    0.0000000    0.0000000    0.0000000
O       -1.4689462445    -0.9357715557    -0.1800808441  0.00    0.0000000    0.0000000    0.0000000
C       -3.4456861445     0.3091812093    -0.3450864317  0.00    0.0000000    0.0000000    0.0000000
H       -3.9750678301     0.3107875781     0.6075240135  0.00    0.0000000    0.0000000    0.0000000
H       -3.6968766461     1.2189998476    -0.8826675480  0.00    0.0000000    0.0000000    0.0000000
H       -3.7397826934    -0.5679137398    -0.9133151568  0.00    0.0000000    0.0000000    0.0000000
O       -0.0963536443    -0.9847450073     0.1361887319  0.00    0.0000000    0.0000000    0.0000000
H        0.1270189476    -0.0533737429     0.3434399973  0.00    0.0000000    0.0000000    0.0000000
C        2.7546289443     0.4984877363     0.0324342054  0.00    0.0000000    0.0000000    0.0000000
C        2.4684556533     0.1222008279     1.2727538429  0.00    0.0000000    0.0000000    0.0000000
H        2.2482609978     0.8688010039     2.0198162617  0.00    0.0000000    0.0000000    0.0000000
H        2.4609023663    -0.9207618705     1.5645715029  0.00    0.0000000    0.0000000    0.0000000
H        2.7710779168     1.5371042149    -0.2713112395  0.00    0.0000000    0.0000000    0.0000000
O        3.0593596042    -0.3170877397    -1.0049531488  0.00    0.0000000    0.0000000    0.0000000
H        3.0315420096    -1.2377417762    -0.7207847999  0.00    0.0000000    0.0000000    0.0000000
16
E =    32.000000000000
C       -1.9858436842     0.3045102996    -0.0594376698  0.00    0.0000000    0.0000000    0.0000000
O       -1.3078306457     1.2461641534     0.2598686679  0.00    0.0000000    0.0000000    0.0000000
O       -1.4658423226    -0.9307163325    -0.1786994147  0.00    0.0000000    0.0000000    0.0000000
C       -3.4523506109     0.2977339426    -0.3452570265  0.00    0.0000000    0.0000000    0.0000000
H       -3.9814185618     0.2929494036     0.6075434669  0.00    0.0000000    0.0000000    0.0000000
H       -3.7120831348     1.2059228607    -0.8814915752  0.00    0.0000000    0.0000000    0.0000000
H       -3.7384773947    -0.5813212680    -0.9145407192  0.00    0.0000000    0.0000000    0.0000000
O       -0.0928509210    -0.9686080804     0.1375310675  0.00    0.0000000    0.0000000    0.0000000
H        0.1230772481    -0.0354162952     0.3438656256  0.00    0.0000000    0.0000000    0.0000000
C        2.7590097664     0.4915655425     0.0335940339  0.00    0.0000000    0.0000000    0.0000000
C        2.4773304968     0.1107502529     1.2735063857  0.00    0.0000000    0.0000000    0.0000000
H        2.2541571521     0.8542141080     2.0228238732  0.00    0.0000000    0.0000000    0.0000000
H        2.4753885014    -0.9329890531     1.5625817816  0.00    0.0000000    0.0000000    0.0000000
H        2.7688213670     1.5309580603    -0.2678527665  0.00    0.0000000    0.0000000    0.0000000
O        3.0663190886    -0.3199551525    -1.0063113284  0.00    0.0000000    0.0000000    0.0000000
H        3.0444226631    -1.2413425609    -0.7240367593  0.00    0.0000000    0.0000000    0.0000000
16
E =    31.000000000000
C       -1.9918369114     0.3057363797    -0.0599953667  0.00    0.0000000    0.0000000    0.0000000
O       -1.3215392149     1.2534963607     0.2576458451  0.00    0.0000000    0.0000000    0.0000000
O       -1.4618806319    -0.9253620917    -0.1773019603  0.00    0.0000000    0.0000000    0.0000000
C       -3.4582773942     0.2858984902    -0.3454316838  0.00    0.0000000    0.0000000    0.0000000
H       -3.9869660672     0.2745495419     0.6075243811  0.00    0.0000000    0.0000000    0.0000000
H       -3.7268198463     1.1922393444    -0.8803871109  0.00    0.0000000    0.0000000    0.0000000
H       -3.7360522514    -0.5951913761    -0.9157576894  0.00    0.0000000    0.0000000    0.0000000
O       -0.0885816682    -0.9518872370     0.1389655263  0.00    0.0000000    0.0000000    0.0000000
H        0.1196547767    -0.0169155121     0.3445295150  0.00    0.0000000    0.0000000    0.0000000
C        2.7620082640     0.4843467989     0.0346360483  0.00    0.0000000    0.0000000    0.0000000
C        2.4850050445     0.0989347144     1.2741230370  0.00    0.0000000    0.0000000    0.0000000
H        2.2580869708     0.8391185128     2.0255827611  0.00    0.0000000    0.0000000    0.0000000
H        2.4892402399    -0.9455233450     1.5604946629  0.00    0.0000000    0.0000000    0.0000000
H        2.7644549671     1.5244300227    -0.2645975544  0.00    0.0000000    0.0000000    0.0000000
O        3.0724497324    -0.3229927871    -1.0076905616  0.00    0.0000000    0.0000000    0.0000000
H        3.0567824005    -1.2450707907    -0.7273092899  0.00    0.0000000    0.0000000    0.0000000
16
E =    30.000000000000
C       -1.9971097195     0.3070353531    -0.0604864804  0.00    0.0000000    0.0000000    0.0000000
O       -1.3348849155     1.2609566999     0.2555829126  0.00    0.0000000    0.0000000    0.0000000
O       -1.4569637143    -0.9196902438    -0.1758599613  0.00    0.0000000    0.0000000    0.0000000
C       -3.4632761644     0.2736815527    -0.3456315088  0.00    0.0000000    0.0000000    0.0000000
H       -3.9915401629     0.2556199434     0.6074411715  0.00    0.0000000    0.0000000    0.0000000
H       -3.7408767983     1.1779419854    -0.8793734560  0.00    0.0000000    0.0000000    0.0000000
H       -3.7322761908    -0.6094483150    -0.9169686353  0.00    0.0000000    0.0000000    0.0000000
O       -0.0835251365    -0.9345886997     0.1405477017  0.00    0.0000000    0.0000000    0.0000000
H        0.1168370347     0.0020848408     0.3454310360  0.00    0.0000000    0.0000000    0.0000000
C        2.7634995104     0.4768199634     0.0355272728  0.00    0.0000000    0.0000000    0.0000000
C        2.4911245706     0.0867804055     1.2745061303  0.00    0.0000000    0.0000000    0.0000000
H        2.2595871464     0.8234846088     2.0279658089  0.00    0.0000000    0.0000000    0.0000000
H        2.5019737937    -0.9583483529     1.5581716319  0.00    0.0000000    0.0000000    0.0000000
H        2.7579099537     1.5174768523    -0.2615759144  0.00    0.0000000    0.0000000    0.0000000
O        3.0777143484    -0.3261851544    -1.0091126567  0.00    0.0000000    0.0000000    0.0000000
H        3.0684346051    -1.2489179439    -0.7306482701  0.00    0.0000000    0.0000000    0.0000000
16
E =    29.000000000000
C       -2.0015439232     0.3084220024    -0.0608678901  0.00    0.0000000    0.0000000    0.0000000
O       -1.3476412386     1.2686199209     0.2537651357  0.00    0.0000000    0.0000000    0.0000000
O       -1.4510342243    -0.9138261710    -0.1743671087  0.00    0.0000000    0.0000000    0.0000000
C       -3.4673443398     0.2611959098    -0.3459174478  0.00    0.0000000    0.0000000    0.0000000
H       -3.9952336613     0.2363360000     0.6072248897  0.00    0.0000000    0.0000000    0.0000000
H       -3.7541800137     1.1632197722    -0.8785560953  0.00    0.0000000    0.0000000    0.0000000
H       -3.7272063169    -0.6240910450    -0.9182293934  0.00    0.0000000    0.0000000    0.0000000
O       -0.0775168738    -0.9169237699     0.1423556299  0.00    0.0000000    0.0000000    0.0000000
H        0.1148330618     0.0214762857     0.3466072016  0.00    0.0000000    0.0000000    0.0000000
C        2.7633160859     0.4690682861     0.0361958005  0.00    0.0000000    0.0000000    0.0000000
C        2.4953004570     0.0743256636     1.2745647379  0.00    0.0000000    0.0000000    0.0000000
H        2.2582033500     0.8074224943     2.0298390286  0.00    0.0000000    0.0000000    0.0000000
H        2.5130373325    -0.9714387023     1.5555250211  0.00    0.0000000    0.0000000    0.0000000
H        2.7491983243     1.5102651137    -0.2588580169  0.00    0.0000000    0.0000000    0.0000000
O        3.0820562464    -0.3294942285    -1.0105805856  0.00    0.0000000    0.0000000    0.0000000
H        3.0792108021    -1.2528577258    -0.7340609782  0.00    0.0000000    0.0000000    0.0000000
16
E =    28.000000000000
C       -2.0050455384     0.3098495757    -0.0611323766  0.00    0.0000000    0.0000000    0.0000000
O       -1.3596889218     1.2762443860     0.2522591434  0.00    0.0000000    0.0000000    0.0000000
O       -1.4441468841    -0.9077061369    -0.1728249513  0.00    0.0000000    0.0000000    0.0000000
C       -3.4702441602     0.2485350072    -0.3462836493  0.00    0.0000000    0.0000000    0.0000000
H       -3.9977699319     0.2168361240     0.6068419583  0.00    0.0000000    0.0000000    0.0000000
H       -3.7663934171     1.1480517332    -0.8779920454  0.00    0.0000000    0.0000000    0.0000000
H       -3.7206150167    -0.6389124390    -0.9195065071  0.00    0.0000000    0.0000000    0.0000000
O       -0.0707766725    -0.8989738467     0.1444322741  0.00    0.0000000    0.0000000    0.0000000
H        0.1135758291     0.0410380997     0.3480171703  0.00    0.0000000    0.0000000    0.0000000
C        2.7614704113     0.4611291942     0.0365952999  0.00    0.0000000    0.0000000    0.0000000
C        2.4973127888     0.0617357514     1.2742274009  0.00    0.0000000    0.0000000    0.0000000
H        2.2537214091     0.7910775014     2.0310791546  0.00    0.0000000    0.0000000    0.0000000
H        2.5220466773    -0.9845962048     1.5524926503  0.00    0.0000000    0.0000000    0.0000000
H        2.7385115607     1.5027347555    -0.2564846292  0.00    0.0000000    0.0000000    0.0000000
O        3.0855222257    -0.3328768057    -1.0121006728  0.00    0.0000000    0.0000000    0.0000000
H        3.0889855038    -1.2568189353    -0.7375899893  0.00    0.0000000    0.0000000    0.0000000
16
E =    27.000000000000
C       -2.0076010682     0.3113333747    -0.0612835756  0.00    0.0000000    0.0000000    0.0000000
O       -1.3708500033     1.2837799017     0.2510592626  0.00    0.0000000    0.0000000    0.0000000
O       -1.4364448367    -0.9014551230    -0.1711900149  0.00    0.0000000    0.0000000    0.0000000
C       -3.4719705943     0.2358601152    -0.3467761125  0.00    0.0000000    0.0000000    0.0000000
H       -3.9991727796     0.1973645650     0.6062652632  0.00    0.0000000    0.0000000    0.0000000
H       -3.7774072394     1.1326445466    -0.8777248407  0.00    0.0000000    0.0000000    0.0000000
H       -3.7125856282    -0.6537761729    -0.9207979751  0.00    0.0000000    0.0000000    0.0000000
O       -0.0633911233    -0.8810404145     0.1468025420  0.00    0.0000000    0.0000000    0.0000000
H        0.1130283198     0.0605019889     0.3498061121  0.00    0.0000000    0.0000000    0.0000000
C        2.7580507523     0.4531603722     0.0367254114  0.00    0.0000000    0.0000000    0.0000000
C        2.4971425857     0.0491165598     1.2734485829  0.00    0.0000000    0.0000000    0.0000000
H        2.2461341931     0.7745649382     2.0316797766  0.00    0.0000000    0.0000000    0.0000000
H        2.5287190763    -0.9977317630     1.5490071849  0.00    0.0000000    0.0000000    0.0000000
H        2.7261229728     1.4950704174    -0.2544580750  0.00    0.0000000    0.0000000    0.0000000
O        3.0881140099    -0.3362352571    -1.0136640686  0.00    0.0000000    0.0000000    0.0000000
H        3.0975577091    -1.2607379301    -0.7412332772  0.00    0.0000000    0.0000000    0.0000000
16
E =    26.000000000000
C       -2.0092146523     0.3128294103    -0.0613154422  0.00    0.0000000    0.0000000    0.0000000
O       -1.3810136770     1.2910995741     0.2501505969  0.00    0.0000000    0.0000000    0.0000000
O       -1.4280895163    -0.8951550739    -0.1694607315  0.00    0.0000000    0.0000000    0.0000000
C       -3.4724857783     0.2233197007    -0.3473768740  0.00    0.0000000    0.0000000    0.0000000
H       -3.9994226957     0.1781221294     0.6054987099  0.00    0.0000000    0.0000000    0.0000000
H       -3.7870434950     1.1171459399    -0.8778006711  0.00    0.0000000    0.0000000    0.0000000
H       -3.7031231570    -0.6684761113    -0.9220955120  0.00    0.0000000    0.0000000    0.0000000
O       -0.0555359869    -0.8633015688     0.1494171269  0.00    0.0000000    0.0000000    0.0000000
H        0.1130392623     0.0796356299     0.3519666216  0.00    0.0000000    0.0000000    0.0000000
C        2.7532266017     0.4452621873     0.0365937839  0.00    0.0000000    0.0000000    0.0000000
C        2.4948746708     0.0366380522     1.2722655062  0.00    0.0000000    0.0000000    0.0000000
H        2.2355576848     0.7579961958     2.0315654120  0.00    0.0000000    0.0000000    0.0000000
H        2.5329470546    -1.0106898464     1.5450817719  0.00    0.0000000    0.0000000    0.0000000
H        2.7123206519     1.4873287383    -0.2527978981  0.00    0.0000000    0.0000000    0.0000000
O        3.0898329180    -0.3395088701    -1.0152539199  0.00    0.0000000    0.0000000    0.0000000
H        3.1047299119    -1.2645486308    -0.7449616217  0.00    0.0000000    0.0000000    0.0000000
16
E =    25.000000000000
C       -2.0098672743     0.3143251697    -0.0612064230  0.00    0.0000000    0.0000000    0.0000000
O       -1.3900367517     1.2982266731     0.2495535671  0.00    0.0000000    0.0000000    0.0000000
O       -1.4191392775    -0.8889823820    -0.1676059355  0.00    0.0000000    0.0000000    0.0000000
C       -3.4719597216     0.2110783443    -0.3481452989  0.00    0.0000000    0.0000000    0.0000000
H       -3.9987687136     0.1594061528     0.6044548525  0.00    0.0000000    0.0000000    0.0000000
H       -3.7953245119     1.1019071794    -0.8782576898  0.00    0.0000000    0.0000000    0.0000000
H       -3.6925674678    -0.6829067260    -0.9235066988  0.00    0.0000000    0.0000000    0.0000000
O       -0.0471719581    -0.8459991513     0.1522753732  0.00    0.0000000    0.0000000    0.0000000
H        0.1137463004     0.0982928897     0.3544325471  0.00    0.0000000    0.0000000    0.0000000
C        2.7470374430     0.4375430382     0.0361981907  0.00    0.0000000    0.0000000    0.0000000
C        2.4904791773     0.0243950594     1.2706588590  0.00    0.0000000    0.0000000    0.0000000
H        2.2221742769     0.7416316793     2.0308035826  0.00    0.0000000    0.0000000    0.0000000
H        2.5345939379    -1.0234004950     1.5407284730  0.00    0.0000000    0.0000000    0.0000000
H        2.6973883327     1.4797401447    -0.2514640085  0.00    0.0000000    0.0000000    0.0000000
O        3.0906755593    -0.3426440456    -1.0168652530  0.00    0.0000000    0.0000000    0.0000000
H        3.1104141697    -1.2682349658    -0.7487755323  0.00    0.0000000    0.0000000    0.0000000
16
E =    24.000000000000
C       -2.0097044914     0.3157463189    -0.0609814699  0.00    0.0000000    0.0000000    0.0000000
O       -1.3979855775     1.3049463440     0.2492184674  0.00    0.0000000    0.0000000    0.0000000
O       -1.4098240151    -0.8829410677    -0.1656090630  0.00    0.0000000    0.0000000    0.0000000
C       -3.4703517438     0.1992327630    -0.3490581457  0.00    0.0000000    0.0000000    0.0000000
H       -3.9971477133     0.1413333651     0.6031650886  0.00    0.0000000    0.0000000    0.0000000
H       -3.8020727060     1.0869558044    -0.8790602815  0.00    0.0000000    0.0000000    0.0000000
H       -3.6809627670    -0.6968011836    -0.9249804256  0.00    0.0000000    0.0000000    0.0000000
O       -0.0385815070    -0.8291287482     0.1552932924  0.00    0.0000000    0.0000000    0.0000000
H        0.1147419573     0.1164441628     0.3570376182  0.00    0.0000000    0.0000000    0.0000000
C        2.7398251970     0.4300651195     0.0356022663  0.00    0.0000000    0.0000000    0.0000000
C        2.4843198200     0.0125053393     1.2686964984  0.00    0.0000000    0.0000000    0.0000000
H        2.2064775299     0.7255165561     2.0294110759  0.00    0.0000000    0.0000000    0.0000000
H        2.5338380214    -1.0357410533     1.5359938499  0.00    0.0000000    0.0000000    0.0000000
H        2.6817388221     1.4722899452    -0.2504499522  0.00    0.0000000    0.0000000    0.0000000
O        3.0907050430    -0.3456164161    -1.0184863216  0.00    0.0000000    0.0000000    0.0000000
H        3.1147624942    -1.2717251839    -0.7525703479  0.00    0.0000000    0.0000000    0.0000000
16
E =    23.000000000000
C       -2.0087903056     0.3170654418    -0.0606487008  0.00    0.0000000    0.0000000    0.0000000
O       -1.4048743772     1.3112525167     0.2491302011  0.00    0.0000000    0.0000000    0.0000000
O       -1.4002714304    -0.8771349648    -0.1634635937  0.00    0.0000000    0.0000000    0.0000000
C       -3.4678423122     0.1878859301    -0.3501623762  0.00    0.0000000    0.0000000    0.0000000
H       -3.9947819534     0.1240323362     0.6015732437  0.00    0.0000000    0.0000000    0.0000000
H       -3.8073662003     1.0725098560    -0.8802265927  0.00    0.0000000    0.0000000    0.0000000
H       -3.6685953782    -0.7100774513    -0.9266073796  0.00    0.0000000    0.0000000    0.0000000
O       -0.0298273692    -0.8127816792     0.1585225349  0.00    0.0000000    0.0000000    0.0000000
H        0.1159540119     0.1340395584     0.3597047715  0.00    0.0000000    0.0000000    0.0000000
C        2.7317483221     0.4228905234     0.0348030993  0.00    0.0000000    0.0000000    0.0000000
C        2.4766039800     0.0009944804     1.2663909926  0.00    0.0000000    0.0000000    0.0000000
H        2.1887966013     0.7097029129     2.0274571747  0.00    0.0000000    0.0000000    0.0000000
H        2.5308383689    -1.0477216876     1.5308446888  0.00    0.0000000    0.0000000    0.0000000
H        2.6655779118     1.4650527965    -0.2497328590  0.00    0.0000000    0.0000000    0.0000000
O        3.0900181294    -0.3483804789    -1.0201153591  0.00    0.0000000    0.0000000    0.0000000
H        3.1180062791    -1.2749879588    -0.7563334473  0.00    0.0000000    0.0000000    0.0000000
16
E =    22.000000000000
C       -2.0072603115     0.3182751622    -0.0602322141  0.00    0.0000000    0.0000000    0.0000000
O       -1.4108035246     1.3170916679     0.2492454190  0.00    0.0000000    0.0000000    0.0000000
O       -1.3906124591    -0.8715778743    -0.1611937374  0.00    0.0000000    0.0000000    0.0000000
C       -3.4645412525     0.1770663558    -0.3514418263  0.00    0.0000000    0.0000000    0.0000000
H       -3.9917377527     0.1075280115     0.5997092631  0.00    0.0000000    0.0000000    0.0000000
H       -3.8112623334     1.0586365139    -0.8817093078  0.00    0.0000000    0.0000000    0.0000000
H       -3.6556187583    -0.7226450496    -0.9283794303  0.00    0.0000000    0.0000000    0.0000000
O       -0.0211061107    -0.7969763203     0.1619478916  0.00    0.0000000    0.0000000    0.0000000
H        0.1171898007     0.1510377435     0.3624444915  0.00    0.0000000    0.0000000    0.0000000
C        2.7230533244     0.4160483237     0.0338365684  0.00    0.0000000    0.0000000    0.0000000
C        2.4677041669    -0.0100964195     1.2638096743  0.00    0.0000000    0.0000000    0.0000000
H        2.1693770349     0.6941609614     2.0249357576  0.00    0.0000000    0.0000000    0.0000000
H        2.5258635846    -1.0593317021     1.5252825673  0.00    0.0000000    0.0000000    0.0000000
H        2.6490053510     1.4580601361    -0.2493178992  0.00    0.0000000    0.0000000    0.0000000
O        3.0887408641    -0.3509308432    -1.0217502980  0.00    0.0000000    0.0000000    0.0000000
H        3.1203406644    -1.2779901232    -0.7600053285  0.00    0.0000000    0.0000000    0.0000000
16
E =    21.000000000000
C       -2.0051658003     0.3193166412    -0.0597321165  0.00    0.0000000    0.0000000    0.0000000
O       -1.4157807330     1.3225202833     0.2495700760  0.00    0.0000000    0.0000000    0.0000000
O       -1.3808436084    -0.8663774195    -0.1588235580  0.00    0.0000000    0.0000000    0.0000000
C       -3.4606105369     0.1668291800    -0.3528679523  0.00    0.0000000    0.0000000    0.0000000
H       -3.9881974399     0.0919663856     0.5976366639  0.00    0.0000000    0.0000000    0.0000000
H       -3.8138268659     1.0455549388    -0.8834159840  0.00    0.0000000    0.0000000    0.0000000
H       -3.6424040535    -0.7345163699    -0.9303228475  0.00    0.0000000    0.0000000    0.0000000
O       -0.0123063979    -0.7816764932     0.1655072084  0.00    0.0000000    0.0000000    0.0000000
H        0.1183877354     0.1675699625     0.3653001783  0.00    0.0000000    0.0000000    0.0000000
C        2.7137259503     0.4095503699     0.0327028792  0.00    0.0000000    0.0000000    0.0000000
C        2.4576183455    -0.0207622375     1.2609650743  0.00    0.0000000    0.0000000    0.0000000
H        2.1484899921     0.6790569508     2.0219692683  0.00    0.0000000    0.0000000    0.0000000
H        2.5191045622    -1.0705296051     1.5194051464  0.00    0.0000000    0.0000000    0.0000000
H        2.6321102694     1.4513752228    -0.2491992160  0.00    0.0000000    0.0000000    0.0000000
O        3.0869410704    -0.3533067956    -1.0233702254  0.00    0.0000000    0.0000000    0.0000000
H        3.1218538147    -1.2807837954    -0.7635335851  0.00    0.0000000    0.0000000    0.0000000
16
E =    20.000000000000
C       -2.0026176158     0.3201016440    -0.0591865553  0.00    0.0000000    0.0000000    0.0000000
O       -1.4199480617     1.3273794314     0.2500399260  0.00    0.0000000    0.0000000    0.0000000
O       -1.3710686420    -0.8615114496    -0.1563625356  0.00    0.0000000    0.0000000    0.0000000
C       -3.4560652048     0.1571594113    -0.3543991527  0.00    0.0000000    0.0000000    0.0000000
H       -3.9841091492     0.0773743667     0.5954047325  0.00    0.0000000    0.0000000    0.0000000
H       -3.8148788990     1.0332944845    -0.8852522157  0.00    0.0000000    0.0000000    0.0000000
H       -3.6291168587    -0.7455310235    -0.9324280701  0.00    0.0000000    0.0000000    0.0000000
O       -0.0036285817    -0.7666437106     0.1690768515  0.00    0.0000000    0.0000000    0.0000000
H        0.1191568293     0.1838681680     0.3681749126  0.00    0.0000000    0.0000000    0.0000000
C        2.7040087854     0.4033592834     0.0314796518  0.00    0.0000000    0.0000000    0.0000000
C        2.4468477881    -0.0309699593     1.2579901669  0.00    0.0000000    0.0000000    0.0000000
H        2.1265091559     0.6642855329     2.0185904083  0.00    0.0000000    0.0000000    0.0000000
H        2.5106493566    -1.0813674122     1.5132406211  0.00    0.0000000    0.0000000    0.0000000
H        2.6149576566     1.4448819488    -0.2493463914  0.00    0.0000000    0.0000000    0.0000000
O        3.0845784276    -0.3555409575    -1.0249520684  0.00    0.0000000    0.0000000    0.0000000
H        3.1227012968    -1.2833586569    -0.7668499616  0.00    0.0000000    0.0000000    0.0000000
16
E =    19.000000000000
C       -1.9996510064     0.3204989916    -0.0586011129  0.00    0.0000000    0.0000000    0.0000000
O       -1.4233729254     1.3316181651     0.2506114717  0.00    0.0000000    0.0000000    0.0000000
O       -1.3611886221    -0.8570677738    -0.1538027610  0.00    0.0000000    0.0000000    0.0000000
C       -3.4510505316     0.1481366835    -0.3560037902  0.00    0.0000000    0.0000000    0.0000000
H       -3.9795940042     0.0639667884     0.5930897269  0.00    0.0000000    0.0000000    0.0000000
H       -3.8143130058     1.0221892019    -0.8870306496  0.00    0.0000000    0.0000000    0.0000000
H       -3.6162986836    -0.7555507157    -0.9347209158  0.00    0.0000000    0.0000000    0.0000000
O        0.0051002566    -0.7516543165     0.1725994840  0.00    0.0000000    0.0000000    0.0000000
H        0.1193653530     0.2001637484     0.3710850229  0.00    0.0000000    0.0000000    0.0000000
C        2.6938990899     0.3974304652     0.0301937971  0.00    0.0000000    0.0000000    0.0000000
C        2.4353500535    -0.0407641139     1.2549212403  0.00    0.0000000    0.0000000    0.0000000
H        2.1036349190     0.6499119525     2.0148584699  0.00    0.0000000    0.0000000    0.0000000
H        2.5005647783    -1.0918492847     1.5068668756  0.00    0.0000000    0.0000000    0.0000000
H        2.5976617963     1.4385879556    -0.2496987504  0.00    0.0000000    0.0000000    0.0000000
O        3.0816325193    -0.3576699946    -1.0264984080  0.00    0.0000000    0.0000000    0.0000000
H        3.1229589690    -1.2857913716    -0.7699539853  0.00    0.0000000    0.0000000    0.0000000
16
E =    18.000000000000
C       -1.9963256799     0.3203677973    -0.0580207768  0.00    0.0000000    0.0000000    0.0000000
O       -1.4262319350     1.3351730219     0.2512399754  0.00    0.0000000    0.0000000    0.0000000
O       -1.3511430334    -0.8530872516    -0.1511292592  0.00    0.0000000    0.0000000    0.0000000
C       -3.4456558980     0.1398200596    -0.3576763097  0.00    0.0000000    0.0000000    0.0000000
H       -3.9747042399     0.0519253068     0.5907403877  0.00    0.0000000    0.0000000    0.0000000
H       -3.8119292254     1.0125197324    -0.8885988832  0.00    0.0000000    0.0000000    0.0000000
H       -3.6044767241    -0.7644252352    -0.9373161010  0.00    0.0000000    0.0000000    0.0000000
O        0.0138779713    -0.7364888313     0.1760743395  0.00    0.0000000    0.0000000    0.0000000
H        0.1187444510     0.2166782970     0.3740365083  0.00    0.0000000    0.0000000    0.0000000
C        2.6835292599     0.3917372288     0.0288898646  0.00    0.0000000    0.0000000    0.0000000
C        2.4233195243    -0.0501999733     1.2517878358  0.00    0.0000000    0.0000000    0.0000000
H        2.0800568123     0.6358350379     2.0107876904  0.00    0.0000000    0.0000000    0.0000000
H        2.4889794377    -1.1020651566     1.5003048548  0.00    0.0000000    0.0000000    0.0000000
H        2.5803361443     1.4324399396    -0.2501994514  0.00    0.0000000    0.0000000    0.0000000
O        3.0780952348    -0.3597238924    -1.0280124962  0.00    0.0000000    0.0000000    0.0000000
H        3.1227318199    -1.2880719487    -0.7729068879  0.00    0.0000000    0.0000000    0.0000000
16
E =    17.000000000000
C       -1.9927426019     0.3196050087    -0.0575002975  0.00    0.0000000    0.0000000    0.0000000
O       -1.4286404166     1.3380007054     0.2518995923  0.00    0.0000000    0.0000000    0.0000000
O       -1.3408731429    -0.8496884059    -0.1483863507  0.00    0.0000000    0.0000000    0.0000000
C       -3.4400738289     0.1323144946    -0.3594184264  0.00    0.0000000    0.0000000    0.0000000
H       -3.9695294402     0.0415268010     0.5884297206  0.00    0.0000000    0.0000000    0.0000000
H       -3.8076291417     1.0046413990    -0.8897817405  0.00    0.0000000    0.0000000    0.0000000
H       -3.5942537939    -0.7719203382    -0.9402848072  0.00    0.0000000    0.0000000    0.0000000
O        0.0228627984    -0.7209747357     0.1796113807  0.00    0.0000000    0.0000000    0.0000000
H        0.1171273832     0.2336918308     0.3770848143  0.00    0.0000000    0.0000000    0.0000000
C        2.6729471884     0.3862328350     0.0275752597  0.00    0.0000000    0.0000000    0.0000000
C        2.4107991337    -0.0593382310     1.2486152151  0.00    0.0000000    0.0000000    0.0000000
H        2.0559802298     0.6221630494     2.0065192367  0.00    0.0000000    0.0000000    0.0000000
H        2.4760035978    -1.1120370148     1.4935811836  0.00    0.0000000    0.0000000    0.0000000
H        2.5631307756     1.4265095683    -0.2507590365  0.00    0.0000000    0.0000000    0.0000000
O        3.0740318625    -0.3617140997    -1.0295463464  0.00    0.0000000    0.0000000    0.0000000
H        3.1220800472    -1.2902354070    -0.7757208609  0.00    0.0000000    0.0000000    0.0000000
16
E =    16.000000000000
C       -1.9889680430     0.3180828746    -0.0570990375  0.00    0.0000000    0.0000000    0.0000000
O       -1.4307853714     1.3400125216     0.2525286849  0.00    0.0000000    0.0000000    0.0000000
O       -1.3304063340    -0.8468316091    -0.1456011891  0.00    0.0000000    0.0000000    0.0000000
C       -3.4343182081     0.1256116078    -0.3611893963  0.00    0.0000000    0.0000000    0.0000000
H       -3.9640579899     0.0328946606     0.5862398499  0.00    0.0000000    0.0000000    0.0000000
H       -3.8012232544     0.9987861377    -0.8904125269  0.00    0.0000000    0.0000000    0.0000000
H       -3.5861255630    -0.7779946662    -0.9436995361  0.00    0.0000000    0.0000000    0.0000000
O        0.0318195386    -0.7049281174     0.1831942346  0.00    0.0000000    0.0000000    0.0000000
H        0.1143669568     0.2513271067     0.3802263779  0.00    0.0000000    0.0000000    0.0000000
C        2.6623757062     0.3808944740     0.0263044472  0.00    0.0000000    0.0000000    0.0000000
C        2.3982065899    -0.0681950892     1.2454800082  0.00    0.0000000    0.0000000    0.0000000
H        2.0317163209     0.6087376859     2.0019604677  0.00    0.0000000    0.0000000    0.0000000
H        2.4616615813    -1.1218606321     1.4866900481  0.00    0.0000000    0.0000000    0.0000000
H        2.5461584845     1.4206714907    -0.2513422843  0.00    0.0000000    0.0000000    0.0000000
O        3.0694701269    -0.3636510890    -1.0310818804  0.00    0.0000000    0.0000000    0.0000000
H        3.1210158664    -1.2923089485    -0.7784633593  0.00    0.0000000    0.0000000    0.0000000
16
E =    15.000000000000
C       -1.9850417107     0.3157139255    -0.0568584455  0.00    0.0000000    0.0000000    0.0000000
O       -1.4327485290     1.3411345888     0.2531167183  0.00    0.0000000    0.0000000    0.0000000
O       -1.3196325627    -0.8445683835    -0.1428199617  0.00    0.0000000    0.0000000    0.0000000
C       -3.4285983845     0.1198265616    -0.3630197620  0.00    0.0000000    0.0000000    0.0000000
H       -3.9584585219     0.0262469734     0.5841872929  0.00    0.0000000    0.0000000    0.0000000
H       -3.7927860540     0.9951473254    -0.8903435222  0.00    0.0000000    0.0000000    0.0000000
H       -3.5806974340    -0.7824066983    -0.9476563548  0.00    0.0000000    0.0000000    0.0000000
O        0.0408797792    -0.6882561350     0.1869356716  0.00    0.0000000    0.0000000    0.0000000
H        0.1104115915     0.2696982933     0.3834345241  0.00    0.0000000    0.0000000    0.0000000
C        2.6518832039     0.3757047471     0.0250978065  0.00    0.0000000    0.0000000    0.0000000
C        2.3855493472    -0.0767897979     1.2424025962  0.00    0.0000000    0.0000000    0.0000000
H        2.0076513017     0.5956994817     1.9972617706  0.00    0.0000000    0.0000000    0.0000000
H        2.4460620716    -1.1315320473     1.4796367136  0.00    0.0000000    0.0000000    0.0000000
H        2.5295914116     1.4149715196    -0.2519006074  0.00    0.0000000    0.0000000    0.0000000
O        3.0643956556    -0.3655542841    -1.0326651007  0.00    0.0000000    0.0000000    0.0000000
H        3.1195263030    -1.2943181263    -0.7811674297  0.00    0.0000000    0.0000000    0.0000000
16
E =    14.000000000000
C       -1.9809690159     0.3124503253    -0.0568367975  0.00    0.0000000    0.0000000    0.0000000
O       -1.4346194608     1.3413531432     0.2536465814  0.00    0.0000000    0.0000000    0.0000000
O       -1.3084458512    -0.8428068170    -0.1400999435  0.00    0.0000000    0.0000000    0.0000000
C       -3.4230429357     0.1149506488    -0.3649123466  0.00    0.0000000    0.0000000    0.0000000
H       -3.9529015683     0.0216134343     0.5822411218  0.00    0.0000000    0.0000000    0.0000000
H       -3.7825924165     0.9936866362    -0.8894982216  0.00    0.0000000    0.0000000    0.0000000
H       -3.5783439156    -0.7850567111    -0.9521794897  0.00    0.0000000    0.0000000    0.0000000
O        0.0500113008    -0.6709526053     0.1908897229  0.00    0.0000000    0.0000000    0.0000000
H        0.1054250536     0.2886955666     0.3867085502  0.00    0.0000000    0.0000000    0.0000000
C        2.6415539130     0.3706730091     0.0239872544  0.00    0.0000000    0.0000000    0.0000000
C        2.3730048630    -0.0851379262     1.2394375591  0.00    0.0000000    0.0000000    0.0000000
H        1.9841233810     0.5830200177     1.9925377140  0.00    0.0000000    0.0000000    0.0000000
H        2.4294252103    -1.1410353744     1.4724578413  0.00    0.0000000    0.0000000    0.0000000
H        2.5135317638     1.4094115225    -0.2523942446  0.00    0.0000000    0.0000000    0.0000000
O        3.0587249123    -0.3674592333    -1.0343053115  0.00    0.0000000    0.0000000    0.0000000
H        3.1176622752    -1.2962600698    -0.7838765564  0.00    0.0000000    0.0000000    0.0000000
16
E =    13.000000000000
C       -1.9768446388     0.3084021520    -0.0570634800  0.00    0.0000000    0.0000000    0.0000000
O       -1.4363568671     1.3407532726     0.2541233878  0.00    0.0000000    0.0000000    0.0000000
O       -1.2968556627    -0.8416071440    -0.1374750573  0.00    0.0000000    0.0000000    0.0000000
C       -3.4178220615     0.1110126569    -0.3668749279  0.00    0.0000000    0.0000000    0.0000000
H       -3.9477477686     0.0190175431     0.5803071947  0.00    0.0000000    0.0000000    0.0000000
H       -3.7712157742     0.9942431906    -0.8879189944  0.00    0.0000000    0.0000000    0.0000000
H       -3.5792473460    -0.7858833165    -0.9572743166  0.00    0.0000000    0.0000000    0.0000000
O        0.0594552086    -0.6531621414     0.1951427057  0.00    0.0000000    0.0000000    0.0000000
H        0.0998459104     0.3083197598     0.3901667347  0.00    0.0000000    0.0000000    0.0000000
C        2.6312915335     0.3657782533     0.0229370096  0.00    0.0000000    0.0000000    0.0000000
C        2.3605040553    -0.0932509522     1.2365637171  0.00    0.0000000    0.0000000    0.0000000
H        1.9612718446     0.5708024840     1.9879713021  0.00    0.0000000    0.0000000    0.0000000
H        2.4119746975    -1.1503301175     1.4653083069  0.00    0.0000000    0.0000000    0.0000000
H        2.4980555513     1.4040580563    -0.2527877358  0.00    0.0000000    0.0000000    0.0000000
O        3.0525215637    -0.3693341306    -1.0360119059  0.00    0.0000000    0.0000000    0.0000000
H        3.1154465563    -1.2981413811    -0.7865826182  0.00    0.0000000    0.0000000    0.0000000
16
E =    12.000000000000
C       -1.9725713459     0.3035481260    -0.0575247416  0.00    0.0000000    0.0000000    0.0000000
O       -1.4378279460     1.3392132556     0.2545414158  0.00    0.0000000    0.0000000    0.0000000
O       -1.2847155755    -0.8407947812    -0.1349290956  0.00    0.0000000    0.0000000    0.0000000
C       -3.4130037404     0.1079973179    -0.3688777172  0.00    0.0000000    0.0000000    0.0000000
H       -3.9433347963     0.0183918780     0.5782434855  0.00    0.0000000    0.0000000    0.0000000
H       -3.7594296853     0.9964252883    -0.8856237283  0.00    0.0000000    0.0000000    0.0000000
H       -3.5834218417    -0.7849334652    -0.9628796553  0.00    0.0000000    0.0000000    0.0000000
O        0.0690649995    -0.6348340123     0.1997242708  0.00    0.0000000    0.0000000    0.0000000
H        0.0941427605     0.3283687959     0.3939014186  0.00    0.0000000    0.0000000    0.0000000
C        2.6209766725     0.3610054731     0.0219027267  0.00    0.0000000    0.0000000    0.0000000
C        2.3478032358    -0.1011609516     1.2337104987  0.00    0.0000000    0.0000000    0.0000000
H        1.9392832909     0.5590166264     1.9835441787  0.00    0.0000000    0.0000000    0.0000000
H        2.3940318818    -1.1593695566     1.4583219628  0.00    0.0000000    0.0000000    0.0000000
H        2.4832609861     1.3988960540    -0.2531412856  0.00    0.0000000    0.0000000    0.0000000
O        3.0459052591    -0.3711771236    -1.0377735178  0.00    0.0000000    0.0000000    0.0000000
H        3.1129016823    -1.2999325431    -0.7893015009  0.00    0.0000000    0.0000000    0.0000000
16
E =    11.000000000000
C       -1.9681067229     0.2979091897    -0.0582032915  0.00    0.0000000    0.0000000    0.0000000
O       -1.4387055038     1.3366362710     0.2549053543  0.00    0.0000000    0.0000000    0.0000000
O       -1.2718271559    -0.8404509247    -0.1324071264  0.00    0.0000000    0.0000000    0.0000000
C       -3.4088091998     0.1060967043    -0.3708815595  0.00    0.0000000    0.0000000    0.0000000
H       -3.9402760435     0.0197936031     0.5758698345  0.00    0.0000000    0.0000000    0.0000000
H       -3.7484529369     0.9999428385    -0.8827595734  0.00    0.0000000    0.0000000    0.0000000
H       -3.5907164739    -0.7819540490    -0.9687657025  0.00    0.0000000    0.0000000    0.0000000
O        0.0791899347    -0.6159786450     0.2048219322  0.00    0.0000000    0.0000000    0.0000000
H        0.0887358928     0.3489339630     0.3980123543  0.00    0.0000000    0.0000000    0.0000000
C        2.6101621689     0.3563692717     0.0207060989  0.00    0.0000000    0.0000000    0.0000000
C        2.3339896837    -0.1089903755     1.2305633345  0.00    0.0000000    0.0000000    0.0000000
H        1.9184941324     0.5478764148     1.9794866027  0.00    0.0000000    0.0000000    0.0000000
H        2.3759945812    -1.1681130546     1.4518274260  0.00    0.0000000    0.0000000    0.0000000
H        2.4694127999     1.3941147072    -0.2534674454  0.00    0.0000000    0.0000000    0.0000000
O        3.0391779605    -0.3729171356    -1.0395510557  0.00    0.0000000    0.0000000    0.0000000
H        3.1099442968    -1.3015789813    -0.7919246049  0.00    0.0000000    0.0000000    0.0000000
16
E =    10.000000000000
C       -1.9633023341     0.2914118012    -0.0590779012  0.00    0.0000000    0.0000000    0.0000000
O       -1.4387425406     1.3328624407     0.2552146332  0.00    0.0000000    0.0000000    0.0000000
O       -1.2578477998    -0.8406385300    -0.1298311116  0.00    0.0000000    0.0000000    0.0000000
C       -3.4054855577     0.1056953698    -0.3727859581  0.00    0.0000000    0.0000000    0.0000000
H       -3.9391227535     0.0232838010     0.5731198881  0.00    0.0000000    0.0000000    0.0000000
H       -3.7397528226     1.0047239401    -0.8796273885  0.00    0.0000000    0.0000000    0.0000000
H       -3.6005566734    -0.7766756260    -0.9744728685  0.00    0.0000000    0.0000000    0.0000000
O        0.0901311920    -0.5966676372     0.2106424160  0.00    0.0000000    0.0000000    0.0000000
H        0.0841622397     0.3699314709     0.4025654244  0.00    0.0000000    0.0000000    0.0000000
C        2.5982424488     0.3518440050     0.0190893988  0.00    0.0000000    0.0000000    0.0000000
C        2.3178836232    -0.1168374174     1.2266363895  0.00    0.0000000    0.0000000    0.0000000
H        1.8995388156     0.5377280334     1.9760512310  0.00    0.0000000    0.0000000    0.0000000
H        2.3586551047    -1.1764881303     1.4462307865  0.00    0.0000000    0.0000000    0.0000000
H        2.4569674993     1.3899298054    -0.2537733327  0.00    0.0000000    0.0000000    0.0000000
O        3.0328034984    -0.3744549873    -1.0412211135  0.00    0.0000000    0.0000000    0.0000000
H        3.1065462003    -1.3030210667    -0.7943219404  0.00    0.0000000    0.0000000    0.0000000
16
E =     9.000000000000
C       -1.9583344089     0.2841330631    -0.0601103266  0.00    0.0000000    0.0000000    0.0000000
O       -1.4378288308     1.3279276727     0.2554176623  0.00    0.0000000    0.0000000    0.0000000
O       -1.2432419768    -0.8416259301    -0.1273252489  0.00    0.0000000    0.0000000    0.0000000
C       -3.4033840826     0.1074064222    -0.3743440052  0.00    0.0000000    0.0000000    0.0000000
H       -3.9402940777     0.0286403842     0.5703319087  0.00    0.0000000    0.0000000    0.0000000
H       -3.7348396352     1.0108916159    -0.8768034670  0.00    0.0000000    0.0000000    0.0000000
H       -3.6116329352    -0.7692599071    -0.9793301844  0.00    0.0000000    0.0000000    0.0000000
O        0.1033619773    -0.5773588374     0.2175895476  0.00    0.0000000    0.0000000    0.0000000
H        0.0809494965     0.3908965949     0.4074802057  0.00    0.0000000    0.0000000    0.0000000
C        2.5847364655     0.3475194317     0.0167564025  0.00    0.0000000    0.0000000    0.0000000
C        2.2977649343    -0.1247968315     1.2213264048  0.00    0.0000000    0.0000000    0.0000000
H        1.8836941102     0.5292479548     1.9734217998  0.00    0.0000000    0.0000000    0.0000000
H        2.3435197056    -1.1841472592     1.4420331309  0.00    0.0000000    0.0000000    0.0000000
H        2.4467328851     1.3866536177    -0.2541321349  0.00    0.0000000    0.0000000    0.0000000
O        3.0274864272    -0.3756574169    -1.0426209741  0.00    0.0000000    0.0000000    0.0000000
H        3.1027784788    -1.3041929900    -0.7963398333  0.00    0.0000000    0.0000000    0.0000000
16
E =     8.000000000000
C       -1.9530332458     0.2765609798    -0.0610659870  0.00    0.0000000    0.0000000    0.0000000
O       -1.4364778055     1.3223638078     0.2554131817  0.00    0.0000000    0.0000000    0.0000000
O       -1.2263296803    -0.8436395016    -0.1245143893  0.00    0.0000000    0.0000000    0.0000000
C       -3.4033043143     0.1117169861    -0.3754373651  0.00    0.0000000    0.0000000    0.0000000
H       -3.9437238503     0.0352879643     0.5683182807  0.00    0.0000000    0.0000000    0.0000000
H       -3.7345577113     1.0190009781    -0.8751477419  0.00    0.0000000    0.0000000    0.0000000
H       -3.6222642046    -0.7601747911    -0.9826900521  0.00    0.0000000    0.0000000    0.0000000
O        0.1176076538    -0.5593733917     0.2251151410  0.00    0.0000000    0.0000000    0.0000000
H        0.0791562511     0.4108430047     0.4124394489  0.00    0.0000000    0.0000000    0.0000000
C        2.5698634808     0.3436021211     0.0138566709  0.00    0.0000000    0.0000000    0.0000000
C        2.2732773836    -0.1327123086     1.2140974452  0.00    0.0000000    0.0000000    0.0000000
H        1.8720963994     0.5229454728     1.9717702481  0.00    0.0000000    0.0000000    0.0000000
H        2.3319043823    -1.1908671919     1.4395529770  0.00    0.0000000    0.0000000    0.0000000
H        2.4393255058     1.3843197530    -0.2545908189  0.00    0.0000000    0.0000000    0.0000000
O        3.0236462399    -0.3764701315    -1.0435000817  0.00    0.0000000    0.0000000    0.0000000
H        3.0988046333    -1.3050697325    -0.7979290358  0.00    0.0000000    0.0000000    0.0000000
16
E =     7.000000000000
C       -1.9494227087     0.2702182601    -0.0619978981  0.00    0.0000000    0.0000000    0.0000000
O       -1.4354204650     1.3172326905     0.2550772048  0.00    0.0000000    0.0000000    0.0000000
O       -1.2117274892    -0.8465118047    -0.1223339938  0.00    0.0000000    0.0000000    0.0000000
C       -3.4066271564     0.1181015396    -0.3761810944  0.00    0.0000000    0.0000000    0.0000000
H       -3.9483333579     0.0418663990     0.5677716824  0.00    0.0000000    0.0000000    0.0000000
H       -3.7379608940     1.0281530036    -0.8749510522  0.00    0.0000000    0.0000000    0.0000000
H       -3.6306399104    -0.7513641060    -0.9842559853  0.00    0.0000000    0.0000000    0.0000000
O        0.1391874091    -0.5447334175     0.2340369650  0.00    0.0000000    0.0000000    0.0000000
H        0.0775792222     0.4277366950     0.4164313292  0.00    0.0000000    0.0000000    0.0000000
C        2.5553027102     0.3402322673     0.0105010547  0.00    0.0000000    0.0000000    0.0000000
C        2.2446801664    -0.1404545334     1.2051097602  0.00    0.0000000    0.0000000    0.0000000
H        1.8656965030     0.5187762665     1.9701373219  0.00    0.0000000    0.0000000    0.0000000
H        2.3248217051    -1.1953245898     1.4383775332  0.00    0.0000000    0.0000000    0.0000000
H        2.4347495984     1.3827891571    -0.2556086746  0.00    0.0000000    0.0000000    0.0000000
O        3.0210954870    -0.3767345744    -1.0435389991  0.00    0.0000000    0.0000000    0.0000000
H        3.0950508699    -1.3055802201    -0.7994066838  0.00    0.0000000    0.0000000    0.0000000
16
E =     6.000000000000
C       -1.9489968446     0.2654843140    -0.0631379953  0.00    0.0000000    0.0000000    0.0000000
O       -1.4346728065     1.3139528837     0.2547755570  0.00    0.0000000    0.0000000    0.0000000
O       -1.2158048443    -0.8507607054    -0.1244787867  0.00    0.0000000    0.0000000    0.0000000
C       -3.4111461399     0.1236484769    -0.3767158820  0.00    0.0000000    0.0000000    0.0000000
H       -3.9519328290     0.0462157662     0.5678650415  0.00    0.0000000    0.0000000    0.0000000
H       -3.7416297553     1.0346752794    -0.8753231736  0.00    0.0000000    0.0000000    0.0000000
H       -3.6356310941    -0.7455208106    -0.9847187312  0.00    0.0000000    0.0000000    0.0000000
O        0.1758228682    -0.5327952019     0.2458099692  0.00    0.0000000    0.0000000    0.0000000
H        0.0752182572     0.4382287418     0.4185339813  0.00    0.0000000    0.0000000    0.0000000
C        2.5448927520     0.3377032631     0.0063222286  0.00    0.0000000    0.0000000    0.0000000
C        2.2193500393    -0.1468979307     1.1975056814  0.00    0.0000000    0.0000000    0.0000000
H        1.8630981269     0.5165996144     1.9689898222  0.00    0.0000000    0.0000000    0.0000000
H        2.3216333415    -1.1977953375     1.4380347313  0.00    0.0000000    0.0000000    0.0000000
H        2.4323247523     1.3820566545    -0.2567716648  0.00    0.0000000    0.0000000    0.0000000
O        3.0193024253    -0.3763793771    -1.0426059148  0.00    0.0000000    0.0000000    0.0000000
H        3.0923262226    -1.3058109787    -0.8006054897  0.00    0.0000000    0.0000000    0.0000000
16
E =     5.000000000000
C       -1.9496612490     0.2615979306    -0.0642642506  0.00    0.0000000    0.0000000    0.0000000
O       -1.4341858020     1.3118232902     0.2545490556  0.00    0.0000000    0.0000000    0.0000000
O       -1.2287146282    -0.8549577924    -0.1285381066  0.00    0.0000000    0.0000000    0.0000000
C       -3.4152048133     0.1278790900    -0.3771097230  0.00    0.0000000    0.0000000    0.0000000
H       -3.9545715878     0.0490239126     0.5680065983  0.00    0.0000000    0.0000000    0.0000000
H       -3.7446357325     1.0390575668    -0.8757242743  0.00    0.0000000    0.0000000    0.0000000
H       -3.6388139527    -0.7416698976    -0.9848287133  0.00    0.0000000    0.0000000    0.0000000
O        0.2160398369    -0.5226483366     0.2579652445  0.00    0.0000000    0.0000000    0.0000000
H        0.0726093133     0.4446883116     0.4195819112  0.00    0.0000000    0.0000000    0.0000000
C        2.5374312617     0.3356710819     0.0020708761  0.00    0.0000000    0.0000000    0.0000000
C        2.1979346114    -0.1522620511     1.1912501303  0.00    0.0000000    0.0000000    0.0000000
H        1.8619452717     0.5152852442     1.9681790670  0.00    0.0000000    0.0000000    0.0000000
H        2.3200683226    -1.1993941672     1.4379341280  0.00    0.0000000    0.0000000    0.0000000
H        2.4308122801     1.3816995046    -0.2578715387  0.00    0.0000000    0.0000000    0.0000000
O        3.0178438705    -0.3757959739    -1.0413000896  0.00    0.0000000    0.0000000    0.0000000
H        3.0903384093    -1.3059082074    -0.8016004562  0.00    0.0000000    0.0000000    0.0000000
16
E =     4.000000000000
C       -1.9504123683     0.2570335872    -0.0654928104  0.00    0.0000000    0.0000000    0.0000000
O       -1.4337181104     1.3105500664     0.2544649849  0.00    0.0000000    0.0000000    0.0000000
O       -1.2462083734    -0.8584108938    -0.1334523198  0.00    0.0000000    0.0000000    0.0000000
C       -3.4185447487     0.1310353717    -0.3774203512  0.00    0.0000000    0.0000000    0.0000000
H       -3.9565696131     0.0507283623     0.5680947394  0.00    0.0000000    0.0000000    0.0000000
H       -3.7470944611     1.0418788890    -0.8760445488  0.00    0.0000000    0.0000000    0.0000000
H       -3.6410037537    -0.7392038800    -0.9848797441  0.00    0.0000000    0.0000000    0.0000000
O        0.2567830938    -0.5128700107     0.2701562499  0.00    0.0000000    0.0000000    0.0000000
H        0.0700954398     0.4477575497     0.4198502683  0.00    0.0000000    0.0000000    0.0000000
C        2.5322601158     0.3338308948    -0.0032228647  0.00    0.0000000    0.0000000    0.0000000
C        2.1786687414    -0.1575179012     1.1863362694  0.00    0.0000000    0.0000000    0.0000000
H        1.8614644926     0.5142075922     1.9674762707  0.00    0.0000000    0.0000000    0.0000000
H        2.3192981025    -1.2005803894     1.4377656650  0.00    0.0000000    0.0000000    0.0000000
H        2.4297106071     1.3814013628    -0.2589146829  0.00    0.0000000    0.0000000    0.0000000
O        3.0163628115    -0.3749207166    -1.0394924094  0.00    0.0000000    0.0000000    0.0000000
H        3.0888320159    -1.3061571772    -0.8025621508  0.00    0.0000000    0.0000000    0.0000000
16
E =     3.000000000000
C       -1.9512525252     0.2518629713    -0.0668607010  0.00    0.0000000    0.0000000    0.0000000
O       -1.4331589638     1.3097126342     0.2544794389  0.00    0.0000000    0.0000000    0.0000000
O       -1.2646528523    -0.8613640113    -0.1385055390  0.00    0.0000000    0.0000000    0.0000000
C       -3.4216345736     0.1338305312    -0.3776918927  0.00    0.0000000    0.0000000    0.0000000
H       -3.9583909914     0.0520062229     0.5681448761  0.00    0.0000000    0.0000000    0.0000000
H       -3.7494218533     1.0441298281    -0.8763320650  0.00    0.0000000    0.0000000    0.0000000
H       -3.6428582913    -0.7372483526    -0.9849137336  0.00    0.0000000    0.0000000    0.0000000
O        0.2973717657    -0.5031995639     0.2823673772  0.00    0.0000000    0.0000000    0.0000000
H        0.0675504713     0.4492114575     0.4197963505  0.00    0.0000000    0.0000000    0.0000000
C        2.5280723388     0.3320640263    -0.0094001463  0.00    0.0000000    0.0000000    0.0000000
C        2.1596710928    -0.1629712006     1.1820188217  0.00    0.0000000    0.0000000    0.0000000
H        1.8612176860     0.5131320435     1.9668021731  0.00    0.0000000    0.0000000    0.0000000
H        2.3187537027    -1.2016566728     1.4375438063  0.00    0.0000000    0.0000000    0.0000000
H        2.4287201275     1.3811030329    -0.2599709512  0.00    0.0000000    0.0000000    0.0000000
O        3.0147527343    -0.3738549331    -1.0373497773  0.00    0.0000000    0.0000000    0.0000000
H        3.0874504493    -1.3065542885    -0.8035532320  0.00    0.0000000    0.0000000    0.0000000
16
E =     2.000000000000
C       -1.9524663095     0.2461620483    -0.0684161141  0.00    0.0000000    0.0000000    0.0000000
O       -1.4323432682     1.3091358383     0.2546126007  0.00    0.0000000    0.0000000    0.0000000
O       -1.2829355831    -0.8640652863    -0.1434659302  0.00    0.0000000    0.0000000    0.0000000
C       -3.4246302583     0.1365407753    -0.3779529911  0.00    0.0000000    0.0000000    0.0000000
H       -3.9601905924     0.0530536257     0.5681598068  0.00    0.0000000    0.0000000    0.0000000
H       -3.7517696994     1.0461162859    -0.8765996452  0.00    0.0000000    0.0000000    0.0000000
H       -3.6445872389    -0.7355298074    -0.9849670780  0.00    0.0000000    0.0000000    0.0000000
O        0.3377178113    -0.4933918213     0.2946005427  0.00    0.0000000    0.0000000    0.0000000
H        0.0649793064     0.4494366205     0.4195356332  0.00    0.0000000    0.0000000    0.0000000
C        2.5244737008     0.3303598599    -0.0163430435  0.00    0.0000000    0.0000000    0.0000000
C        2.1402748938    -0.1687191049     1.1780919097  0.00    0.0000000    0.0000000    0.0000000
H        1.8610922802     0.5119401319     1.9660971661  0.00    0.0000000    0.0000000    0.0000000
H        2.3182628660    -1.2026828093     1.4372226982  0.00    0.0000000    0.0000000    0.0000000
H        2.4277374067     1.3807964399    -0.2610747632  0.00    0.0000000    0.0000000    0.0000000
O        3.0130130979    -0.3726655528    -1.0349949050  0.00    0.0000000    0.0000000    0.0000000
H        3.0861128172    -1.3070978466    -0.8046221830  0.00    0.0000000    0.0000000    0.0000000
16
E =     1.000000000000
C       -1.9540643353     0.2402059509    -0.0701211833  0.00    0.0000000    0.0000000    0.0000000
O       -1.4312683304     1.3086356697     0.2548412020  0.00    0.0000000    0.0000000    0.0000000
O       -1.3007670325    -0.8666925031    -0.1483151558  0.00    0.0000000    0.0000000    0.0000000
C       -3.4276391839     0.1392530610    -0.3782080548  0.00    0.0000000    0.0000000    0.0000000
H       -3.9620257791     0.0540217747     0.5681667791  0.00    0.0000000    0.0000000    0.0000000
H       -3.7541935811     1.0480012582    -0.8768721126  0.00    0.0000000    0.0000000    0.0000000
H       -3.6462771039    -0.7339059845    -0.9850140232  0.00    0.0000000    0.0000000    0.0000000
O        0.3778965245    -0.4833750873     0.3068340408  0.00    0.0000000    0.0000000    0.0000000
H        0.0624039730     0.4488387739     0.4191802254  0.00    0.0000000    0.0000000    0.0000000
C        2.5211602874     0.3286904646    -0.0237134553  0.00    0.0000000    0.0000000    0.0000000
C        2.1204051190    -0.1746733311     1.1743735987  0.00    0.0000000    0.0000000    0.0000000
H        1.8610620762     0.5106455312     1.9653798076  0.00    0.0000000    0.0000000    0.0000000
H        2.3177590967    -1.2036966954     1.4368522015  0.00    0.0000000    0.0000000    0.0000000
H        2.4267456109     1.3804753099    -0.2622348286  0.00    0.0000000    0.0000000    0.0000000
O        3.0111685267    -0.3714336850    -1.0325580355  0.00    0.0000000    0.0000000    0.0000000
H        3.0848029417    -1.3077610899    -0.8057383712  0.00    0.0000000    0.0000000    0.0000000
16
E =    89.000000000000
C       -1.9556738750     0.2342407080    -0.0718280379  0.00    0.0000000    0.0000000    0.0000000
O       -1.4301922808     1.3081289946     0.2550673914  0.00    0.0000000    0.0000000    0.0000000
O       -1.3186083726    -0.8693129870    -0.1531592237  0.00    0.0000000    0.0000000    0.0000000
C       -3.4306439035     0.1419781442    -0.3784582146  0.00    0.0000000    0.0000000    0.0000000
H       -3.9638491910     0.0549898549     0.5681704457  0.00    0.0000000    0.0000000    0.0000000
H       -3.7566036006     1.0498924506    -0.8771431545  0.00    0.0000000    0.0000000    0.0000000
H       -3.6479520865    -0.7322695901    -0.9850744972  0.00    0.0000000    0.0000000    0.0000000
O        0.4180835015    -0.4733782864     0.3190643749  0.00    0.0000000    0.0000000    0.0000000
H        0.0598402302     0.4482412887     0.4188141628  0.00    0.0000000    0.0000000    0.0000000
C        2.5178580218     0.3270342184    -0.0310854166  0.00    0.0000000    0.0000000    0.0000000
C        2.1005232331    -0.1806188243     1.1706595189  0.00    0.0000000    0.0000000    0.0000000
H        1.8610205648     0.5093394915     1.9646611544  0.00    0.0000000    0.0000000    0.0000000
H        2.3172560839    -1.2047054571     1.4364873783  0.00    0.0000000    0.0000000    0.0000000
H        2.4257463132     1.3801588792    -0.2633990351  0.00    0.0000000    0.0000000    0.0000000
O        3.0093283534    -0.3702023582    -1.0301230693  0.00    0.0000000    0.0000000    0.0000000
H        3.0834959360    -1.3084246707    -0.8068609979  0.00    0.0000000    0.0000000    0.0000000
16
E =    90.000000000000
C       -1.9577077732     0.2282300301    -0.0736561161  0.00    0.0000000    0.0000000    0.0000000
O       -1.4288426347     1.3075677589     0.2553793002  0.00    0.0000000    0.0000000    0.0000000
O       -1.3355921917    -0.8719862630    -0.1578220193  0.00    0.0000000    0.0000000    0.0000000
C       -3.4336940715     0.1447744400    -0.3787083439  0.00    0.0000000    0.0000000    0.0000000
H       -3.9657314980     0.0559274054     0.5681836050  0.00    0.0000000    0.0000000    0.0000000
H       -3.7591231415     1.0517940242    -0.8774021681  0.00    0.0000000    0.0000000    0.0000000
H       -3.6496365857    -0.7306317090    -0.9851334511  0.00    0.0000000    0.0000000    0.0000000
O        0.4580316510    -0.4630741177     0.3313159952  0.00    0.0000000    0.0000000    0.0000000
H        0.0573776574     0.4469335529     0.4184299524  0.00    0.0000000    0.0000000    0.0000000
C        2.5146632120     0.3253883085    -0.0387283505  0.00    0.0000000    0.0000000    0.0000000
C        2.0798957264    -0.1867822598     1.1669730485  0.00    0.0000000    0.0000000    0.0000000
H        1.8610550493     0.5078963821     1.9639137185  0.00    0.0000000    0.0000000    0.0000000
H        2.3167202186    -1.2056871217     1.4360651009  0.00    0.0000000    0.0000000    0.0000000
H        2.4247149685     1.3798440862    -0.2646221196  0.00    0.0000000    0.0000000    0.0000000
O        3.0074321752    -0.3689759552    -1.0276897773  0.00    0.0000000    0.0000000    0.0000000
H        3.0821826270    -1.3091810780    -0.8080486866  0.00    0.0000000    0.0000000    0.0000000
16
E =    91.000000000000
C       -1.9602792791     0.2223951123    -0.0755692350  0.00    0.0000000    0.0000000    0.0000000
O       -1.4271479984     1.3068356918     0.2557752328  0.00    0.0000000    0.0000000    0.0000000
O       -1.3514093717    -0.8748986005    -0.1622974113  0.00    0.0000000    0.0000000    0.0000000
C       -3.4368080293     0.1476867798    -0.3789333581  0.00    0.0000000    0.0000000    0.0000000
H       -3.9677093730     0.0568748798     0.5682140042  0.00    0.0000000    0.0000000    0.0000000
H       -3.7617724506     1.0537827186    -0.8776534923  0.00    0.0000000    0.0000000    0.0000000
H       -3.6513553013    -0.7289240591    -0.9851800280  0.00    0.0000000    0.0000000    0.0000000
O        0.4976698886    -0.4523209238     0.3436323560  0.00    0.0000000    0.0000000    0.0000000
H        0.0551079839     0.4448891516     0.4180804263  0.00    0.0000000    0.0000000    0.0000000
C        2.5115180945     0.3237883432    -0.0464317802  0.00    0.0000000    0.0000000    0.0000000
C        2.0582190800    -0.1931488053     1.1631547804  0.00    0.0000000    0.0000000    0.0000000
H        1.8611986090     0.5062111969     1.9631208372  0.00    0.0000000    0.0000000    0.0000000
H        2.3161201875    -1.2066131863     1.4356018471  0.00    0.0000000    0.0000000    0.0000000
H        2.4236332853     1.3795347581    -0.2659203329  0.00    0.0000000    0.0000000    0.0000000
O        3.0055429016    -0.3678358447    -1.0253921829  0.00    0.0000000    0.0000000    0.0000000
H        3.0808323046    -1.3100423974    -0.8093234911  0.00    0.0000000    0.0000000    0.0000000
16
E =    92.000000000000
C       -1.9632342672     0.2170592840    -0.0774731986  0.00    0.0000000    0.0000000    0.0000000
O       -1.4251592148     1.3056886416     0.2562025850  0.00    0.0000000    0.0000000    0.0000000
O       -1.3662157345    -0.8781715076    -0.1666270627  0.00    0.0000000    0.0000000    0.0000000
C       -3.4400249542     0.1507246330    -0.3791404585  0.00    0.0000000    0.0000000    0.0000000
H       -3.9697803467     0.0579101617     0.5682809336  0.00    0.0000000    0.0000000    0.0000000
H       -3.7645561434     1.0559780190    -0.8778452311  0.00    0.0000000    0.0000000    0.0000000
H       -3.6531428834    -0.7270221789    -0.9852351014  0.00    0.0000000    0.0000000    0.0000000
O        0.5370399944    -0.4410691585     0.3560069923  0.00    0.0000000    0.0000000    0.0000000
H        0.0531604089     0.4422281159     0.4178695686  0.00    0.0000000    0.0000000    0.0000000
C        2.5082502779     0.3222745093    -0.0537631674  0.00    0.0000000    0.0000000    0.0000000
C        2.0356147141    -0.1995676880     1.1590624485  0.00    0.0000000    0.0000000    0.0000000
H        1.8614283307     0.5042552201     1.9622950918  0.00    0.0000000    0.0000000    0.0000000
H        2.3154095615    -1.2074367400     1.4350840843  0.00    0.0000000    0.0000000    0.0000000
H        2.4224928576     1.3792412527    -0.2672688518  0.00    0.0000000    0.0000000    0.0000000
O        3.0037777894    -0.3668929010    -1.0234263762  0.00    0.0000000    0.0000000    0.0000000
H        3.0794239779    -1.3109424584    -0.8106475498  0.00    0.0000000    0.0000000    0.0000000
16
E =    93.000000000000
C       -1.9666408502     0.2125533483    -0.0792921588  0.00    0.0000000    0.0000000    0.0000000
O       -1.4227726077     1.3036406989     0.2566531871  0.00    0.0000000    0.0000000    0.0000000
O       -1.3796270023    -0.8819791926    -0.1708063862  0.00    0.0000000    0.0000000    0.0000000
C       -3.4434527355     0.1540157399    -0.3793200132  0.00    0.0000000    0.0000000    0.0000000
H       -3.9720100859     0.0591368139     0.5684165088  0.00    0.0000000    0.0000000    0.0000000
H       -3.7675327223     1.0585849540    -0.8779816697  0.00    0.0000000    0.0000000    0.0000000
H       -3.6550852426    -0.7247487618    -0.9852566999  0.00    0.0000000    0.0000000    0.0000000
O        0.5759300326    -0.4288841536     0.3683932422  0.00    0.0000000    0.0000000    0.0000000
H        0.0517761074     0.4386352732     0.4179419643  0.00    0.0000000    0.0000000    0.0000000
C        2.5046886144     0.3208599457    -0.0603372216  0.00    0.0000000    0.0000000    0.0000000
C        2.0119234923    -0.2059668697     1.1545877655  0.00    0.0000000    0.0000000    0.0000000
H        1.8618199778     0.5017857314     1.9613677022  0.00    0.0000000    0.0000000    0.0000000
H        2.3144925092    -1.2080754645     1.4345092327  0.00    0.0000000    0.0000000    0.0000000
H        2.4212383726     1.3789584761    -0.2687256644  0.00    0.0000000    0.0000000    0.0000000
O        3.0022434539    -0.3663321459    -1.0220168941  0.00    0.0000000    0.0000000    0.0000000
H        3.0779612028    -1.3118499499    -0.8120635848  0.00    0.0000000    0.0000000    0.0000000
16
E =    94.000000000000
C       -1.9702304332     0.2084229991    -0.0810641644  0.00    0.0000000    0.0000000    0.0000000
O       -1.4199509752     1.3007951459     0.2571089060  0.00    0.0000000    0.0000000    0.0000000
O       -1.3923159944    -0.8861311989    -0.1748992217  0.00    0.0000000    0.0000000    0.0000000
C       -3.4471143088     0.1575936970    -0.3794581050  0.00    0.0000000    0.0000000    0.0000000
H       -3.9744345379     0.0606239047     0.5686414024  0.00    0.0000000    0.0000000    0.0000000
H       -3.7707427252     1.0616392420    -0.8780638000  0.00    0.0000000    0.0000000    0.0000000
H       -3.6572208125    -0.7220673549    -0.9852294910  0.00    0.0000000    0.0000000    0.0000000
O        0.6144096033    -0.4159892421     0.3806272334  0.00    0.0000000    0.0000000    0.0000000
H        0.0509208966     0.4344796539     0.4183796188  0.00    0.0000000    0.0000000    0.0000000
C        2.5008891354     0.3195475316    -0.0663116715  0.00    0.0000000    0.0000000    0.0000000
C        1.9876957112    -0.2122326313     1.1500055710  0.00    0.0000000    0.0000000    0.0000000
H        1.8623099124     0.4989067084     1.9604229188  0.00    0.0000000    0.0000000    0.0000000
H        2.3132917363    -1.2084252192     1.4339203412  0.00    0.0000000    0.0000000    0.0000000
H        2.4198522640     1.3786817161    -0.2703030592  0.00    0.0000000    0.0000000    0.0000000
O        3.0008840935    -0.3660397072    -1.0210079451  0.00    0.0000000    0.0000000    0.0000000
H        3.0764695818    -1.3127798456    -0.8134821210  0.00    0.0000000    0.0000000    0.0000000
16
E =    95.000000000000
C       -1.9742711094     0.2048526375    -0.0827814787  0.00    0.0000000    0.0000000    0.0000000
O       -1.4162577760     1.2964407752     0.2576081357  0.00    0.0000000    0.0000000    0.0000000
O       -1.4045023708    -0.8911135335    -0.1790664794  0.00    0.0000000    0.0000000    0.0000000
C       -3.4512313767     0.1617870089    -0.3795197312  0.00    0.0000000    0.0000000    0.0000000
H       -3.9772352435     0.0626002458     0.5689867650  0.00    0.0000000    0.0000000    0.0000000
H       -3.7744090738     1.0655166394    -0.8780628420  0.00    0.0000000    0.0000000    0.0000000
H       -3.6597488994    -0.7186448565    -0.9851112693  0.00    0.0000000    0.0000000    0.0000000
O        0.6522397267    -0.4015799664     0.3923003812  0.00    0.0000000    0.0000000    0.0000000
H        0.0508442087     0.4292993209     0.4194563081  0.00    0.0000000    0.0000000    0.0000000
C        2.4966607539     0.3184042768    -0.0712611510  0.00    0.0000000    0.0000000    0.0000000
C        1.9635984364    -0.2181413267     1.1458322838  0.00    0.0000000    0.0000000    0.0000000
H        1.8629427215     0.4953060499     1.9595161925  0.00    0.0000000    0.0000000    0.0000000
H        2.3115975780    -1.2083364329     1.4333818868  0.00    0.0000000    0.0000000    0.0000000
H        2.4181694098     1.3784227738    -0.2720801294  0.00    0.0000000    0.0000000    0.0000000
O        2.9997769617    -0.3662471509    -1.0206356013  0.00    0.0000000    0.0000000    0.0000000
H        3.0749227949    -1.3137223503    -0.8148739604  0.00    0.0000000    0.0000000    0.0000000
16
E =    96.000000000000
C       -1.9789353522     0.2012477633    -0.0845532438  0.00    0.0000000    0.0000000    0.0000000
O       -1.4107917990     1.2895141765     0.2582343989  0.00    0.0000000    0.0000000    0.0000000
O       -1.4172476340    -0.8974388775    -0.1834862194  0.00    0.0000000    0.0000000    0.0000000
C       -3.4562970436     0.1673519153    -0.3794414791  0.00    0.0000000    0.0000000    0.0000000
H       -3.9808620483     0.0656765600     0.5695894225  0.00    0.0000000    0.0000000    0.0000000
H       -3.7790602384     1.0710118497    -0.8779720304  0.00    0.0000000    0.0000000    0.0000000
H       -3.6631092408    -0.7137318468    -0.9847628186  0.00    0.0000000    0.0000000    0.0000000
O        0.6890385448    -0.3846304556     0.4019248580  0.00    0.0000000    0.0000000    0.0000000
H        0.0515113290     0.4229689564     0.4218203389  0.00    0.0000000    0.0000000    0.0000000
C        2.4918192321     0.3174003919    -0.0749311110  0.00    0.0000000    0.0000000    0.0000000
C        1.9416806233    -0.2231540421     1.1435862498  0.00    0.0000000    0.0000000    0.0000000
H        1.8637462005     0.4908531703     1.9591605311  0.00    0.0000000    0.0000000    0.0000000
H        2.3089200243    -1.2075267197     1.4333498536  0.00    0.0000000    0.0000000    0.0000000
H        2.4157786128     1.3781448240    -0.2742336429  0.00    0.0000000    0.0000000    0.0000000
O        2.9987100670    -0.3670385798    -1.0207417779  0.00    0.0000000    0.0000000    0.0000000
H        3.0733287371    -1.3147471979    -0.8159353755  0.00    0.0000000    0.0000000    0.0000000
16
E =    97.000000000000
C       -1.9845726616     0.1967406486    -0.0863956747  0.00    0.0000000    0.0000000    0.0000000
O       -1.4012553209     1.2771261720     0.2593058773  0.00    0.0000000    0.0000000    0.0000000
O       -1.4329213067    -0.9068671894    -0.1883768779  0.00    0.0000000    0.0000000    0.0000000
C       -3.4632224298     0.1762397640    -0.3789807599  0.00    0.0000000    0.0000000    0.0000000
H       -3.9864772938     0.0717101248     0.5706770104  0.00    0.0000000    0.0000000    0.0000000
H       -3.7857842049     1.0802859560    -0.8776796577  0.00    0.0000000    0.0000000    0.0000000
H       -3.6686040317    -0.7052784914    -0.9838612033  0.00    0.0000000    0.0000000    0.0000000
O        0.7208470201    -0.3630135110     0.4030628802  0.00    0.0000000    0.0000000    0.0000000
H        0.0519593005     0.4159627652     0.4271414981  0.00    0.0000000    0.0000000    0.0000000
C        2.4856314374     0.3165754077    -0.0755407967  0.00    0.0000000    0.0000000    0.0000000
C        1.9306102651    -0.2249885426     1.1481267564  0.00    0.0000000    0.0000000    0.0000000
H        1.8648658368     0.4861645738     1.9621138490  0.00    0.0000000    0.0000000    0.0000000
H        2.3042946440    -1.2059793095     1.4357902583  0.00    0.0000000    0.0000000    0.0000000
H        2.4115038249     1.3776792704    -0.2767067847  0.00    0.0000000    0.0000000    0.0000000
O        2.9971012065    -0.3688833788    -1.0206710782  0.00    0.0000000    0.0000000    0.0000000
H        3.0718915136    -1.3159579772    -0.8153973389  0.00    0.0000000    0.0000000    0.0000000
16
E =    98.000000000000
C       -1.9896995497     0.1912612204    -0.0878962618  0.00    0.0000000    0.0000000    0.0000000
O       -1.3890921052     1.2618298148     0.2609499652  0.00    0.0000000    0.0000000    0.0000000
O       -1.4489992453    -0.9178460472    -0.1921825975  0.00    0.0000000    0.0000000    0.0000000
C       -3.4705202220     0.1876017577    -0.3782946257  0.00    0.0000000    0.0000000    0.0000000
H       -3.9936112755     0.0810097204     0.5717090842  0.00    0.0000000    0.0000000    0.0000000
H       -3.7933197581     1.0923697177    -0.8772451365  0.00    0.0000000    0.0000000    0.0000000
H       -3.6763973228    -0.6938084312    -0.9827348227  0.00    0.0000000    0.0000000    0.0000000
O        0.7437519999    -0.3421859237     0.3925769191  0.00    0.0000000    0.0000000    0.0000000
H        0.0489158881     0.4140830836     0.4346105610  0.00    0.0000000    0.0000000    0.0000000
C        2.4774870111     0.3160997783    -0.0730573151  0.00    0.0000000    0.0000000    0.0000000
C        1.9327877941    -0.2225999484     1.1582715724  0.00    0.0000000    0.0000000    0.0000000
H        1.8656896267     0.4847966907     1.9709076483  0.00    0.0000000    0.0000000    0.0000000
H        2.2987175733    -1.2048412769     1.4424250770  0.00    0.0000000    0.0000000    0.0000000
H        2.4052157921     1.3768930225    -0.2781604234  0.00    0.0000000    0.0000000    0.0000000
O        2.9942763732    -0.3711076246    -1.0186222395  0.00    0.0000000    0.0000000    0.0000000
H        3.0709950139    -1.3170293744    -0.8119712537  0.00    0.0000000    0.0000000    0.0000000
16
E =    99.000000000000
C       -1.9934697868     0.1855065365    -0.0889070565  0.00    0.0000000    0.0000000    0.0000000
O       -1.3766442616     1.2466164181     0.2631249762  0.00    0.0000000    0.0000000    0.0000000
O       -1.4631558380    -0.9283210067    -0.1947039973  0.00    0.0000000    0.0000000    0.0000000
C       -3.4763915158     0.1987772594    -0.3777355896  0.00    0.0000000    0.0000000    0.0000000
H       -4.0005962998     0.0914418874     0.5720776199  0.00    0.0000000    0.0000000    0.0000000
H       -3.7995433196     1.1045065244    -0.8765751956  0.00    0.0000000    0.0000000    0.0000000
H       -3.6852421373    -0.6817296111    -0.9821735531  0.00    0.0000000    0.0000000    0.0000000
O        0.7627579803    -0.3222290400     0.3770591179  0.00    0.0000000    0.0000000    0.0000000
H        0.0429455345     0.4163266500     0.4408997423  0.00    0.0000000    0.0000000    0.0000000
C        2.4663064511     0.3153822765    -0.0696167216  0.00    0.0000000    0.0000000    0.0000000
C        1.9383809592    -0.2194251463     1.1695186443  0.00    0.0000000    0.0000000    0.0000000
H        1.8657442848     0.4857900786     1.9821771127  0.00    0.0000000    0.0000000    0.0000000
H        2.2935174792    -1.2048236159     1.4511344897  0.00    0.0000000    0.0000000    0.0000000
H        2.3981128491     1.3757275286    -0.2778279855  0.00    0.0000000    0.0000000    0.0000000
O        2.9909787807    -0.3735468468    -1.0155359942  0.00    0.0000000    0.0000000    0.0000000
H        3.0705149586    -1.3179462008    -0.8069788032  0.00    0.0000000    0.0000000    0.0000000
16
E =   100.000000000000
C       -1.9962044014     0.1795264493    -0.0896859095  0.00    0.0000000    0.0000000    0.0000000
O       -1.3639088684     1.2317333675     0.2657929539  0.00    0.0000000    0.0000000    0.0000000
O       -1.4756863416    -0.9383074517    -0.1966667152  0.00    0.0000000    0.0000000    0.0000000
C       -3.4809174815     0.2093815056    -0.3774868189  0.00    0.0000000    0.0000000    0.0000000
H       -4.0069595527     0.1022014634     0.5717334478  0.00    0.0000000    0.0000000    0.0000000
H       -3.8040455141     1.1162784391    -0.8757807646  0.00    0.0000000    0.0000000    0.0000000
H       -3.6944548608    -0.6695627231    -0.9823841292  0.00    0.0000000    0.0000000    0.0000000
O        0.7816726587    -0.3016123035     0.3610430297  0.00    0.0000000    0.0000000    0.0000000
H        0.0355685276     0.4207502490     0.4445098003  0.00    0.0000000    0.0000000    0.0000000
C        2.4518949641     0.3140738114    -0.0666341762  0.00    0.0000000    0.0000000    0.0000000
C        1.9428129897    -0.2168284453     1.1804865012  0.00    0.0000000    0.0000000    0.0000000
H        1.8649702873     0.4872219727     1.9933999251  0.00    0.0000000    0.0000000    0.0000000
H        2.2883825187    -1.2054651073     1.4601722355  0.00    0.0000000    0.0000000    0.0000000
H        2.3906993614     1.3742959471    -0.2760534435  0.00    0.0000000    0.0000000    0.0000000
O        2.9873957543    -0.3760983875    -1.0122744932  0.00    0.0000000    0.0000000    0.0000000
H        3.0701091460    -1.3188724710    -0.8015179591  0.00    0.0000000    0.0000000    0.0000000
16
E =   101.000000000000
C       -1.9980894210     0.1734831543    -0.0903248760  0.00    0.0000000    0.0000000    0.0000000
O       -1.3506256173     1.2170429082     0.2687673976  0.00    0.0000000    0.0000000    0.0000000
O       -1.4869062959    -0.9477975049    -0.1983289544  0.00    0.0000000    0.0000000    0.0000000
C       -3.4842064831     0.2193975554    -0.3775768362  0.00    0.0000000    0.0000000    0.0000000
H       -4.0125019585     0.1129575008     0.5707905825  0.00    0.0000000    0.0000000    0.0000000
H       -3.8068079471     1.1276256761    -0.8750392001  0.00    0.0000000    0.0000000    0.0000000
H       -3.7034865688    -0.6575087937    -0.9832944920  0.00    0.0000000    0.0000000    0.0000000
O        0.7998912154    -0.2805933741     0.3453161599  0.00    0.0000000    0.0000000    0.0000000
H        0.0270596885     0.4271583332     0.4447774811  0.00    0.0000000    0.0000000    0.0000000
C        2.4345796433     0.3124255948    -0.0640901431  0.00    0.0000000    0.0000000    0.0000000
C        1.9468185297    -0.2147177747     1.1916341015  0.00    0.0000000    0.0000000    0.0000000
H        1.8634360872     0.4887360231     2.0040315442  0.00    0.0000000    0.0000000    0.0000000
H        2.2831228505    -1.2064517185     1.4689043090  0.00    0.0000000    0.0000000    0.0000000
H        2.3833498131     1.3728480445    -0.2731102158  0.00    0.0000000    0.0000000    0.0000000
O        2.9835416899    -0.3787109469    -1.0092931547  0.00    0.0000000    0.0000000    0.0000000
H        3.0695882252    -1.3197125539    -0.7959595693  0.00    0.0000000    0.0000000    0.0000000
16
E =   102.000000000000
C       -1.9992761491     0.1674162353    -0.0908526262  0.00    0.0000000    0.0000000    0.0000000
O       -1.3367139267     1.2025399573     0.2719202005  0.00    0.0000000    0.0000000    0.0000000
O       -1.4968766125    -0.9568105562    -0.1998102837  0.00    0.0000000    0.0000000    0.0000000
C       -3.4865000056     0.2289569196    -0.3779081075  0.00    0.0000000    0.0000000    0.0000000
H       -4.0172861323     0.1235962295     0.5694562457  0.00    0.0000000    0.0000000    0.0000000
H       -3.8080556620     1.1385898124    -0.8744373465  0.00    0.0000000    0.0000000    0.0000000
H       -3.7120809649    -0.6457071173    -0.9846595196  0.00    0.0000000    0.0000000    0.0000000
O        0.8174872286    -0.2597542532     0.3301223375  0.00    0.0000000    0.0000000    0.0000000
H        0.0173749335     0.4354987284     0.4421751385  0.00    0.0000000    0.0000000    0.0000000
C        2.4152791893     0.3105454008    -0.0619657875  0.00    0.0000000    0.0000000    0.0000000
C        1.9501421199    -0.2127846697     1.2027052686  0.00    0.0000000    0.0000000    0.0000000
H        1.8612607365     0.4904300905     2.0141966884  0.00    0.0000000    0.0000000    0.0000000
H        2.2776657144    -1.2076179205     1.4772893007  0.00    0.0000000    0.0000000    0.0000000
H        2.3759953585     1.3714565374    -0.2693154195  0.00    0.0000000    0.0000000    0.0000000
O        2.9791353768    -0.3812275086    -1.0064973576  0.00    0.0000000    0.0000000    0.0000000
H        3.0688110615    -1.3204031995    -0.7903409870  0.00    0.0000000    0.0000000    0.0000000
16
E =   103.000000000000
C       -1.9998706875     0.1613114368    -0.0913788646  0.00    0.0000000    0.0000000    0.0000000
O       -1.3219247502     1.1880995320     0.2750335247  0.00    0.0000000    0.0000000    0.0000000
O       -1.5060592770    -0.9652713740    -0.2012939811  0.00    0.0000000    0.0000000    0.0000000
C       -3.4879448216     0.2381537597    -0.3784133351  0.00    0.0000000    0.0000000    0.0000000
H       -4.0213846157     0.1341008516     0.5678046534  0.00    0.0000000    0.0000000    0.0000000
H       -3.8080722440     1.1491955973    -0.8740744889  0.00    0.0000000    0.0000000    0.0000000
H       -3.7200715499    -0.6341543369    -0.9863079060  0.00    0.0000000    0.0000000    0.0000000
O        0.8345736506    -0.2396614705     0.3164000127  0.00    0.0000000    0.0000000    0.0000000
H        0.0060901445     0.4459014724     0.4367415735  0.00    0.0000000    0.0000000    0.0000000
C        2.3943157253     0.3088590965    -0.0603235182  0.00    0.0000000    0.0000000    0.0000000
C        1.9527056178    -0.2109129414     1.2134408574  0.00    0.0000000    0.0000000    0.0000000
H        1.8584801907     0.4924042146     2.0237788465  0.00    0.0000000    0.0000000    0.0000000
H        2.2720116519    -1.2086465809     1.4851057950  0.00    0.0000000    0.0000000    0.0000000
H        2.3689630977     1.3703173930    -0.2650393535  0.00    0.0000000    0.0000000    0.0000000
O        2.9743142524    -0.3835516895    -1.0041088978  0.00    0.0000000    0.0000000    0.0000000
H        3.0675393116    -1.3208577233    -0.7848106867  0.00    0.0000000    0.0000000    0.0000000
16
E =   104.000000000000
C       -1.9999950995     0.1552233014    -0.0919514103  0.00    0.0000000    0.0000000    0.0000000
O       -1.3061651592     1.1737363316     0.2780064782  0.00    0.0000000    0.0000000    0.0000000
O       -1.5147126494    -0.9733001060    -0.2027919939  0.00    0.0000000    0.0000000    0.0000000
C       -3.4886783389     0.2470765927    -0.3790233684  0.00    0.0000000    0.0000000    0.0000000
H       -4.0248799954     0.1444292632     0.5659610801  0.00    0.0000000    0.0000000    0.0000000
H       -3.8071251046     1.1594707019    -0.8739528599  0.00    0.0000000    0.0000000    0.0000000
H       -3.7273795641    -0.6228967110    -0.9880750264  0.00    0.0000000    0.0000000    0.0000000
O        0.8508733669    -0.2207250358     0.3042462399  0.00    0.0000000    0.0000000    0.0000000
H       -0.0074568128     0.4584490957     0.4290275321  0.00    0.0000000    0.0000000    0.0000000
C        2.3724634653     0.3075422387    -0.0591145745  0.00    0.0000000    0.0000000    0.0000000
C        1.9545566038    -0.2089258124     1.2237590758  0.00    0.0000000    0.0000000    0.0000000
H        1.8551543171     0.4946762223     2.0327751944  0.00    0.0000000    0.0000000    0.0000000
H        2.2662582345    -1.2094083003     1.4923174154  0.00    0.0000000    0.0000000    0.0000000
H        2.3623931284     1.3695602005    -0.2605427265  0.00    0.0000000    0.0000000    0.0000000
O        2.9691473067    -0.3855627263    -1.0021349983  0.00    0.0000000    0.0000000    0.0000000
H        3.0656377080    -1.3210127947    -0.7794025434  0.00    0.0000000    0.0000000    0.0000000
16
E =   105.000000000000
C       -1.9999241392     0.1491583021    -0.0926210279  0.00    0.0000000    0.0000000    0.0000000
O       -1.2895341553     1.1596384832     0.2806215003  0.00    0.0000000    0.0000000    0.0000000
O       -1.5230189185    -0.9807286906    -0.2042207695  0.00    0.0000000    0.0000000    0.0000000
C       -3.4889523728     0.2557448587    -0.3796476771  0.00    0.0000000    0.0000000    0.0000000
H       -4.0280136251     0.1545286167     0.5640336678  0.00    0.0000000    0.0000000    0.0000000
H       -3.8056368125     1.1693182894    -0.8740687232  0.00    0.0000000    0.0000000    0.0000000
H       -3.7340379233    -0.6120061982    -0.9898121126  0.00    0.0000000    0.0000000    0.0000000
O        0.8664250918    -0.2039327878     0.2939103814  0.00    0.0000000    0.0000000    0.0000000
H       -0.0252485772     0.4738282067     0.4198531453  0.00    0.0000000    0.0000000    0.0000000
C        2.3507492580     0.3068980889    -0.0582195486  0.00    0.0000000    0.0000000    0.0000000
C        1.9555350498    -0.2066621134     1.2333765667  0.00    0.0000000    0.0000000    0.0000000
H        1.8512295018     0.4973884321     2.0410731104  0.00    0.0000000    0.0000000    0.0000000
H        2.2604569086    -1.2095829941     1.4989130026  0.00    0.0000000    0.0000000    0.0000000
H        2.3563291451     1.3693218338    -0.2561337200  0.00    0.0000000    0.0000000    0.0000000
O        2.9637973547    -0.3870743051    -1.0006341240  0.00    0.0000000    0.0000000    0.0000000
H        3.0629542265    -1.3207066555    -0.7741886160  0.00    0.0000000    0.0000000    0.0000000
16
E =   106.000000000000
C       -1.9996528815     0.1431205223    -0.0933618302  0.00    0.0000000    0.0000000    0.0000000
O       -1.2719864162     1.1456641730     0.2829045358  0.00    0.0000000    0.0000000    0.0000000
O       -1.5310136819    -0.9877607214    -0.2056352453  0.00    0.0000000    0.0000000    0.0000000
C       -3.4888626290     0.2641772765    -0.3801688164  0.00    0.0000000    0.0000000    0.0000000
H       -4.0307800134     0.1643048895     0.5621432165  0.00    0.0000000    0.0000000    0.0000000
H       -3.8037744534     1.1787278723    -0.8743192898  0.00    0.0000000    0.0000000    0.0000000
H       -3.7400334593    -0.6015181790    -0.9913790923  0.00    0.0000000    0.0000000    0.0000000
O        0.8802691516    -0.1886039283     0.2850811536  0.00    0.0000000    0.0000000    0.0000000
H       -0.0468974325     0.4912637310     0.4098801098  0.00    0.0000000    0.0000000    0.0000000
C        2.3300192950     0.3066962093    -0.0575401744  0.00    0.0000000    0.0000000    0.0000000
C        1.9558801710    -0.2041725114     1.2422524515  0.00    0.0000000    0.0000000    0.0000000
H        1.8469125422     0.5003747747     2.0487201238  0.00    0.0000000    0.0000000    0.0000000
H        2.2548346368    -1.2092690661     1.5049641483  0.00    0.0000000    0.0000000    0.0000000
H        2.3507005244     1.3695255206    -0.2519744937  0.00    0.0000000    0.0000000    0.0000000
O        2.9584192100    -0.3881424520    -0.9994748632  0.00    0.0000000    0.0000000    0.0000000
H        3.0596558693    -1.3200395966    -0.7692276305  0.00    0.0000000    0.0000000    0.0000000
16
E =   107.000000000000
C       -1.9994731414     0.1371126015    -0.0942114211  0.00    0.0000000    0.0000000    0.0000000
O       -1.2539366252     1.1321437968     0.2847382885  0.00    0.0000000    0.0000000    0.0000000
O       -1.5389394947    -0.9941798959    -0.2069950924  0.00    0.0000000    0.0000000    0.0000000
C       -3.4886562483     0.2723109693    -0.3805505350  0.00    0.0000000    0.0000000    0.0000000
H       -4.0333962641     0.1737133110     0.5604000220  0.00    0.0000000    0.0000000    0.0000000
H       -3.8018936340     1.1875972192    -0.8746920825  0.00    0.0000000    0.0000000    0.0000000
H       -3.7454874383    -0.5915826611    -0.9926294663  0.00    0.0000000    0.0000000    0.0000000
O        0.8925554806    -0.1757764708     0.2781304989  0.00    0.0000000    0.0000000    0.0000000
H       -0.0736797283     0.5112258519     0.3999991998  0.00    0.0000000    0.0000000    0.0000000
C        2.3115892537     0.3072723811    -0.0570662570  0.00    0.0000000    0.0000000    0.0000000
C        1.9553627172    -0.2013139133     1.2499552048  0.00    0.0000000    0.0000000    0.0000000
H        1.8422336594     0.5037933511     2.0555015340  0.00    0.0000000    0.0000000    0.0000000
H        2.2494408085    -1.2081576800     1.5105227168  0.00    0.0000000    0.0000000    0.0000000
H        2.3454670222     1.3702540959    -0.2483883270  0.00    0.0000000    0.0000000    0.0000000
O        2.9532289479    -0.3886396297    -0.9986770455  0.00    0.0000000    0.0000000    0.0000000
H        3.0557726575    -1.3189486997    -0.7645242738  0.00    0.0000000    0.0000000    0.0000000
16
E =   108.000000000000
C       -1.9996468866     0.1312635419    -0.0951575123  0.00    0.0000000    0.0000000    0.0000000
O       -1.2362673738     1.1195929093     0.2861037065  0.00    0.0000000    0.0000000    0.0000000
O       -1.5466999833    -0.9997925782    -0.2082016136  0.00    0.0000000    0.0000000    0.0000000
C       -3.4885733274     0.2799590925    -0.3807652435  0.00    0.0000000    0.0000000    0.0000000
H       -4.0359705353     0.1824853276     0.5588648879  0.00    0.0000000    0.0000000    0.0000000
H       -3.8003345944     1.1956931617    -0.8751695596  0.00    0.0000000    0.0000000    0.0000000
H       -3.7504576935    -0.5824414182    -0.9935262450  0.00    0.0000000    0.0000000    0.0000000
O        0.9035190473    -0.1658742952     0.2728358032  0.00    0.0000000    0.0000000    0.0000000
H       -0.1057602112     0.5333268916     0.3910421189  0.00    0.0000000    0.0000000    0.0000000
C        2.2961669649     0.3085141396    -0.0566437900  0.00    0.0000000    0.0000000    0.0000000
C        1.9541364379    -0.1981589498     1.2563818654  0.00    0.0000000    0.0000000    0.0000000
H        1.8373040963     0.5075370293     2.0613179680  0.00    0.0000000    0.0000000    0.0000000
H        2.2444370769    -1.2062580904     1.5155929707  0.00    0.0000000    0.0000000    0.0000000
H        2.3405677050     1.3715427483    -0.2455349827  0.00    0.0000000    0.0000000    0.0000000
O        2.9485270104    -0.3885918846    -0.9982043479  0.00    0.0000000    0.0000000    0.0000000
H        3.0514607368    -1.3174421248    -0.7601613307  0.00    0.0000000    0.0000000    0.0000000
16
E =   109.000000000000
C       -2.0003998029     0.1256680365    -0.0961845106  0.00    0.0000000    0.0000000    0.0000000
O       -1.2204584934     1.1088200060     0.2870139795  0.00    0.0000000    0.0000000    0.0000000
O       -1.5540659067    -1.0045584919    -0.2091743729  0.00    0.0000000    0.0000000    0.0000000
C       -3.4887443695     0.2870254931    -0.3807800607  0.00    0.0000000    0.0000000    0.0000000
H       -4.0385879145     0.1905443003     0.5575935735  0.00    0.0000000    0.0000000    0.0000000
H       -3.7992255698     1.2029906934    -0.8756402306  0.00    0.0000000    0.0000000    0.0000000
H       -3.7550552561    -0.5741517961    -0.9940593065  0.00    0.0000000    0.0000000    0.0000000
O        0.9141863630    -0.1592583127     0.2686948007  0.00    0.0000000    0.0000000    0.0000000
H       -0.1425700970     0.5570407147     0.3835696728  0.00    0.0000000    0.0000000    0.0000000
C        2.2837392409     0.3101235119    -0.0562238462  0.00    0.0000000    0.0000000    0.0000000
C        1.9525318770    -0.1948901339     1.2617828969  0.00    0.0000000    0.0000000    0.0000000
H        1.8321647834     0.5114606908     2.0662512506  0.00    0.0000000    0.0000000    0.0000000
H        2.2399496352    -1.2037242912     1.5202982656  0.00    0.0000000    0.0000000    0.0000000
H        2.3358965376     1.3732957288    -0.2433296748  0.00    0.0000000    0.0000000    0.0000000
O        2.9445372006    -0.3880510922    -0.9979744486  0.00    0.0000000    0.0000000    0.0000000
H        3.0468817181    -1.3156175244    -0.7561323652  0.00    0.0000000    0.0000000    0.0000000
16
E =   110.000000000000
C       -2.0014372340     0.1201031488    -0.0972396243  0.00    0.0000000    0.0000000    0.0000000
O       -1.2065551251     1.0993669393     0.2876187181  0.00    0.0000000    0.0000000    0.0000000
O       -1.5611200773    -1.0090643459    -0.2100206801  0.00    0.0000000    0.0000000    0.0000000
C       -3.4888698079     0.2938802099    -0.3805901725  0.00    0.0000000    0.0000000    0.0000000
H       -4.0409927325     0.1983566375     0.5566082058  0.00    0.0000000    0.0000000    0.0000000
H       -3.7980260173     1.2100830620    -0.8759256472  0.00    0.0000000    0.0000000    0.0000000
H       -3.7593419885    -0.5660862198    -0.9943047778  0.00    0.0000000    0.0000000    0.0000000
O        0.9242452129    -0.1542234860     0.2651377095  0.00    0.0000000    0.0000000    0.0000000
H       -0.1818812205     0.5814734399     0.3770343692  0.00    0.0000000    0.0000000    0.0000000
C        2.2732698892     0.3118196385    -0.0557483799  0.00    0.0000000    0.0000000    0.0000000
C        1.9511312509    -0.1917577911     1.2666949627  0.00    0.0000000    0.0000000    0.0000000
H        1.8270267366     0.5152352060     2.0707562107  0.00    0.0000000    0.0000000    0.0000000
H        2.2361129014    -1.2010495431     1.5249022898  0.00    0.0000000    0.0000000    0.0000000
H        2.3315804230     1.3751815890    -0.2414792569  0.00    0.0000000    0.0000000    0.0000000
O        2.9413661251    -0.3873510670    -0.9979902011  0.00    0.0000000    0.0000000    0.0000000
H        3.0422242858    -1.3137181770    -0.7523808401  0.00    0.0000000    0.0000000    0.0000000
16
E =   111.000000000000
C       -2.0025576216     0.1140358789    -0.0982841340  0.00    0.0000000    0.0000000    0.0000000
O       -1.1969244300     1.0919680049     0.2878072910  0.00    0.0000000    0.0000000    0.0000000
O       -1.5679406702    -1.0141386694    -0.2108626697  0.00    0.0000000    0.0000000    0.0000000
C       -3.4883591837     0.3012739324    -0.3799440694  0.00    0.0000000    0.0000000    0.0000000
H       -4.0427471454     0.2068578279     0.5560828350  0.00    0.0000000    0.0000000    0.0000000
H       -3.7956907290     1.2180425049    -0.8755347379  0.00    0.0000000    0.0000000    0.0000000
H       -3.7634110853    -0.5570288069    -0.9941919096  0.00    0.0000000    0.0000000    0.0000000
O        0.9346561648    -0.1505616395     0.2617499416  0.00    0.0000000    0.0000000    0.0000000
H       -0.2226459441     0.6066525379     0.3711699298  0.00    0.0000000    0.0000000    0.0000000
C        2.2648462572     0.3134436908    -0.0552980434  0.00    0.0000000    0.0000000    0.0000000
C        1.9505352423    -0.1889371401     1.2716026732  0.00    0.0000000    0.0000000    0.0000000
H        1.8220800452     0.5185036778     2.0754733723  0.00    0.0000000    0.0000000    0.0000000
H        2.2331423374    -1.1986707254     1.5297814646  0.00    0.0000000    0.0000000    0.0000000
H        2.3278344751     1.3770017647    -0.2395718409  0.00    0.0000000    0.0000000    0.0000000
O        2.9391955386    -0.3866469906    -0.9982529135  0.00    0.0000000    0.0000000    0.0000000
H        3.0374771337    -1.3119616854    -0.7487807332  0.00    0.0000000    0.0000000    0.0000000
16
E =   112.000000000000
C       -2.0041428837     0.1066126480    -0.0993932407  0.00    0.0000000    0.0000000    0.0000000
O       -1.1965241646     1.0882860363     0.2872449322  0.00    0.0000000    0.0000000    0.0000000
O       -1.5741842145    -1.0207137684    -0.2117239823  0.00    0.0000000    0.0000000    0.0000000
C       -3.4863266952     0.3101466604    -0.3783869911  0.00    0.0000000    0.0000000    0.0000000
H       -4.0426840084     0.2176147920     0.5565815469  0.00    0.0000000    0.0000000    0.0000000
H       -3.7899199326     1.2287355836    -0.8733911147  0.00    0.0000000    0.0000000    0.0000000
H       -3.7673075289    -0.5450080186    -0.9935611441  0.00    0.0000000    0.0000000    0.0000000
O        0.9464005628    -0.1482303483     0.2582032440  0.00    0.0000000    0.0000000    0.0000000
H       -0.2623001028     0.6324951136     0.3660769218  0.00    0.0000000    0.0000000    0.0000000
C        2.2594838502     0.3146110843    -0.0547882567  0.00    0.0000000    0.0000000    0.0000000
C        1.9521300647    -0.1869647524     1.2768767470  0.00    0.0000000    0.0000000    0.0000000
H        1.8178825774     0.5203280214     2.0812118338  0.00    0.0000000    0.0000000    0.0000000
H        2.2319960212    -1.1973662234     1.5354208096  0.00    0.0000000    0.0000000    0.0000000
H        2.3255015324     1.3784338974    -0.2371434355  0.00    0.0000000    0.0000000    0.0000000
O        2.9389443400    -0.3862667721    -0.9989270341  0.00    0.0000000    0.0000000    0.0000000
H        3.0327529519    -1.3107489106    -0.7454290419  0.00    0.0000000    0.0000000    0.0000000
16
E =   113.000000000000
C       -2.0076850165     0.0977494787    -0.1006150133  0.00    0.0000000    0.0000000    0.0000000
O       -1.2127025284     1.0906105906     0.2851679758  0.00    0.0000000    0.0000000    0.0000000
O       -1.5783612988    -1.0289066923    -0.2123572742  0.00    0.0000000    0.0000000    0.0000000
C       -3.4823155041     0.3206381006    -0.3754536344  0.00    0.0000000    0.0000000    0.0000000
H       -4.0386955840     0.2321795411     0.5594555982  0.00    0.0000000    0.0000000    0.0000000
H       -3.7766126502     1.2442377362    -0.8674671474  0.00    0.0000000    0.0000000    0.0000000
H       -3.7715497918    -0.5282576494    -0.9924086119  0.00    0.0000000    0.0000000    0.0000000
O        0.9580923777    -0.1479560079     0.2552203213  0.00    0.0000000    0.0000000    0.0000000
H       -0.2914879667     0.6568696024     0.3628745214  0.00    0.0000000    0.0000000    0.0000000
C        2.2613295083     0.3148114873    -0.0542063845  0.00    0.0000000    0.0000000    0.0000000
C        1.9579366327    -0.1867677212     1.2816638443  0.00    0.0000000    0.0000000    0.0000000
H        1.8163170845     0.5187616063     2.0879363102  0.00    0.0000000    0.0000000    0.0000000
H        2.2349559400    -1.1981908117     1.5416603163  0.00    0.0000000    0.0000000    0.0000000
H        2.3268079686     1.3789743685    -0.2341956852  0.00    0.0000000    0.0000000    0.0000000
O        2.9426007334    -0.3865528878    -1.0001014823  0.00    0.0000000    0.0000000    0.0000000
H        3.0288943305    -1.3108909239    -0.7434491822  0.00    0.0000000    0.0000000    0.0000000
16
E =   114.000000000000
C       -2.0137196089     0.0890701515    -0.1019936092  0.00    0.0000000    0.0000000    0.0000000
O       -1.2325280553     1.0934842137     0.2821878780  0.00    0.0000000    0.0000000    0.0000000
O       -1.5813454160    -1.0359562565    -0.2124755342  0.00    0.0000000    0.0000000    0.0000000
C       -3.4798553138     0.3301878104    -0.3723807362  0.00    0.0000000    0.0000000    0.0000000
H       -4.0328436161     0.2484066797     0.5644381046  0.00    0.0000000    0.0000000    0.0000000
H       -3.7577646479     1.2619220281    -0.8588596456  0.00    0.0000000    0.0000000    0.0000000
H       -3.7789865525    -0.5106704797    -0.9921344313  0.00    0.0000000    0.0000000    0.0000000
O        0.9671011239    -0.1473122119     0.2538202004  0.00    0.0000000    0.0000000    0.0000000
H       -0.3134045327     0.6798009223     0.3608368713  0.00    0.0000000    0.0000000    0.0000000
C        2.2672182749     0.3145044729    -0.0534291438  0.00    0.0000000    0.0000000    0.0000000
C        1.9651979819    -0.1876698798     1.2843509487  0.00    0.0000000    0.0000000    0.0000000
H        1.8172622034     0.5147823949     2.0934420838  0.00    0.0000000    0.0000000    0.0000000
H        2.2412014230    -1.1995214000     1.5469937530  0.00    0.0000000    0.0000000    0.0000000
H        2.3311861934     1.3789600059    -0.2321168970  0.00    0.0000000    0.0000000    0.0000000
O        2.9489700196    -0.3870443906    -1.0010151161  0.00    0.0000000    0.0000000    0.0000000
H        3.0258385184    -1.3120907942    -0.7437561678  0.00    0.0000000    0.0000000    0.0000000
16
E =   115.000000000000
C       -2.0206329231     0.0811787735    -0.1032825379  0.00    0.0000000    0.0000000    0.0000000
O       -1.2516629671     1.0959032526     0.2787128980  0.00    0.0000000    0.0000000    0.0000000
O       -1.5845172368    -1.0419757250    -0.2123331904  0.00    0.0000000    0.0000000    0.0000000
C       -3.4797795678     0.3382575069    -0.3695057597  0.00    0.0000000    0.0000000    0.0000000
H       -4.0271390947     0.2650542148     0.5708370714  0.00    0.0000000    0.0000000    0.0000000
H       -3.7355999052     1.2801839939    -0.8485502281  0.00    0.0000000    0.0000000    0.0000000
H       -3.7914876352    -0.4935213356    -0.9931850446  0.00    0.0000000    0.0000000    0.0000000
O        0.9748799267    -0.1460582136     0.2534015563  0.00    0.0000000    0.0000000    0.0000000
H       -0.3311772679     0.7012790226     0.3594505695  0.00    0.0000000    0.0000000    0.0000000
C        2.2744561780     0.3141263682    -0.0526708178  0.00    0.0000000    0.0000000    0.0000000
C        1.9725941221    -0.1892120782     1.2856024044  0.00    0.0000000    0.0000000    0.0000000
H        1.8203218764     0.5095901495     2.0974598208  0.00    0.0000000    0.0000000    0.0000000
H        2.2496979802    -1.2007807752     1.5505252868  0.00    0.0000000    0.0000000    0.0000000
H        2.3380105960     1.3786409875    -0.2310543886  0.00    0.0000000    0.0000000    0.0000000
O        2.9568011481    -0.3874746147    -1.0012416993  0.00    0.0000000    0.0000000    0.0000000
H        3.0232597443    -1.3140243963    -0.7463455508  0.00    0.0000000    0.0000000    0.0000000
16
E =   116.000000000000
C       -2.0279609400     0.0739061560    -0.1045002461  0.00    0.0000000    0.0000000    0.0000000
O       -1.2687151299     1.0975906748     0.2749458334  0.00    0.0000000    0.0000000    0.0000000
O       -1.5885225855    -1.0473955130    -0.2121036099  0.00    0.0000000    0.0000000    0.0000000
C       -3.4816783338     0.3452612275    -0.3667828555  0.00    0.0000000    0.0000000    0.0000000
H       -4.0228432554     0.2815079451     0.5776482524  0.00    0.0000000    0.0000000    0.0000000
H       -3.7123595320     1.2978801937    -0.8373590724  0.00    0.0000000    0.0000000    0.0000000
H       -3.8091675437    -0.4764354366    -0.9950154255  0.00    0.0000000    0.0000000    0.0000000
O        0.9822640739    -0.1442059342     0.2533042226  0.00    0.0000000    0.0000000    0.0000000
H       -0.3469290475     0.7207316519     0.3584085679  0.00    0.0000000    0.0000000    0.0000000
C        2.2819386217     0.3138770486    -0.0518490484  0.00    0.0000000    0.0000000    0.0000000
C        1.9799162611    -0.1909595459     1.2861750606  0.00    0.0000000    0.0000000    0.0000000
H        1.8249601742     0.5041799539     2.1006392218  0.00    0.0000000    0.0000000    0.0000000
H        2.2595521100    -1.2019990725     1.5520690040  0.00    0.0000000    0.0000000    0.0000000
H        2.3466614261     1.3782530116    -0.2305111708  0.00    0.0000000    0.0000000    0.0000000
O        2.9653547036    -0.3877576647    -1.0008005166  0.00    0.0000000    0.0000000    0.0000000
H        3.0208150150    -1.3163620398    -0.7506002451  0.00    0.0000000    0.0000000    0.0000000
16
E =   117.000000000000
C       -2.0357812175     0.0670682621    -0.1057182864  0.00    0.0000000    0.0000000    0.0000000
O       -1.2842625239     1.0983823211     0.2708967131  0.00    0.0000000    0.0000000    0.0000000
O       -1.5935979793    -1.0526447427    -0.2118898969  0.00    0.0000000    0.0000000    0.0000000
C       -3.4851430163     0.3519730233    -0.3641075654  0.00    0.0000000    0.0000000    0.0000000
H       -4.0203641735     0.2976691421     0.5841963525  0.00    0.0000000    0.0000000    0.0000000
H       -3.6895976330     1.3144084401    -0.8257459647  0.00    0.0000000    0.0000000    0.0000000
H       -3.8309837210    -0.4584334464    -0.9967652709  0.00    0.0000000    0.0000000    0.0000000
O        0.9896522485    -0.1418774654     0.2533412594  0.00    0.0000000    0.0000000    0.0000000
H       -0.3606526803     0.7372821762     0.3575654349  0.00    0.0000000    0.0000000    0.0000000
C        2.2899522302     0.3138583347    -0.0509035898  0.00    0.0000000    0.0000000    0.0000000
C        1.9875147927    -0.1926209593     1.2864666438  0.00    0.0000000    0.0000000    0.0000000
H        1.8310139430     0.4990060538     2.1035299661  0.00    0.0000000    0.0000000    0.0000000
H        2.2702375760    -1.2032610376     1.5518206644  0.00    0.0000000    0.0000000    0.0000000
H        2.3569522741     1.3780144398    -0.2299238386  0.00    0.0000000    0.0000000    0.0000000
O        2.9744404843    -0.3879338442    -0.9998757922  0.00    0.0000000    0.0000000    0.0000000
H        3.0183766437    -1.3188136491    -0.7558891860  0.00    0.0000000    0.0000000    0.0000000
16
E =   118.000000000000
C       -2.0442727407     0.0605085437    -0.1070008145  0.00    0.0000000    0.0000000    0.0000000
O       -1.2981528287     1.0979588884     0.2665470792  0.00    0.0000000    0.0000000    0.0000000
O       -1.6002723235    -1.0580345645    -0.2118268468  0.00    0.0000000    0.0000000    0.0000000
C       -3.4899627545     0.3588495124    -0.3613185484  0.00    0.0000000    0.0000000    0.0000000
H       -4.0201602584     0.3137107856     0.5903061280  0.00    0.0000000    0.0000000    0.0000000
H       -3.6689244676     1.3303334060    -0.8146001440  0.00    0.0000000    0.0000000    0.0000000
H       -3.8558956056    -0.4396206491    -0.9982322253  0.00    0.0000000    0.0000000    0.0000000
O        0.9974088442    -0.1389389420     0.2535042273  0.00    0.0000000    0.0000000    0.0000000
H       -0.3731014166     0.7501423093     0.3565273821  0.00    0.0000000    0.0000000    0.0000000
C        2.2986333739     0.3141809164    -0.0497766656  0.00    0.0000000    0.0000000    0.0000000
C        1.9955611816    -0.1940029187     1.2867153126  0.00    0.0000000    0.0000000    0.0000000
H        1.8384159358     0.4942909821     2.1063967828  0.00    0.0000000    0.0000000    0.0000000
H        2.2812577132    -1.2045285355     1.5502308367  0.00    0.0000000    0.0000000    0.0000000
H        2.3687473261     1.3780771637    -0.2289295199  0.00    0.0000000    0.0000000    0.0000000
O        2.9839817080    -0.3879823359    -0.9986298933  0.00    0.0000000    0.0000000    0.0000000
H        3.0157900002    -1.3212829911    -0.7615751664  0.00    0.0000000    0.0000000    0.0000000
16
E =   119.000000000000
C       -2.0536215475     0.0543307755    -0.1083562310  0.00    0.0000000    0.0000000    0.0000000
O       -1.3104181915     1.0959263285     0.2619613964  0.00    0.0000000    0.0000000    0.0000000
O       -1.6092149356    -1.0636703473    -0.2119629860  0.00    0.0000000    0.0000000    0.0000000
C       -3.4963150568     0.3662555926    -0.3585583544  0.00    0.0000000    0.0000000    0.0000000
H       -4.0220878573     0.3296196985     0.5958801667  0.00    0.0000000    0.0000000    0.0000000
H       -3.6516190175     1.3450181141    -0.8042616675  0.00    0.0000000    0.0000000    0.0000000
H       -3.8823401399    -0.4200382732    -0.9989094240  0.00    0.0000000    0.0000000    0.0000000
O        1.0059769939    -0.1354786252     0.2538066735  0.00    0.0000000    0.0000000    0.0000000
H       -0.3844112743     0.7586438174     0.3550000434  0.00    0.0000000    0.0000000    0.0000000
C        2.3082750978     0.3149793173    -0.0484551181  0.00    0.0000000    0.0000000    0.0000000
C        2.0043957762    -0.1949297351     1.2870360426  0.00    0.0000000    0.0000000    0.0000000
H        1.8473086616     0.4902482150     2.1092939754  0.00    0.0000000    0.0000000    0.0000000
H        2.2924614698    -1.2056113147     1.5478769700  0.00    0.0000000    0.0000000    0.0000000
H        2.3820378324     1.3786417464    -0.2273476370  0.00    0.0000000    0.0000000    0.0000000
O        2.9940065531    -0.3878763461    -0.9971409905  0.00    0.0000000    0.0000000    0.0000000
H        3.0132184524    -1.3233928741    -0.7672008547  0.00    0.0000000    0.0000000    0.0000000
16
E =   120.000000000000
C       -2.0639367523     0.0486700243    -0.1097902968  0.00    0.0000000    0.0000000    0.0000000
O       -1.3208010517     1.0921921364     0.2572142538  0.00    0.0000000    0.0000000    0.0000000
O       -1.6208519337    -1.0695868772    -0.2123835335  0.00    0.0000000    0.0000000    0.0000000
C       -3.5040360555     0.3741645653    -0.3558306852  0.00    0.0000000    0.0000000    0.0000000
H       -4.0259437010     0.3452882525     0.6009849033  0.00    0.0000000    0.0000000    0.0000000
H       -3.6386136907     1.3585447468    -0.7952645514  0.00    0.0000000    0.0000000    0.0000000
H       -3.9088532364    -0.4005565581    -0.9986925160  0.00    0.0000000    0.0000000    0.0000000
O        1.0153656382    -0.1314685931     0.2543159253  0.00    0.0000000    0.0000000    0.0000000
H       -0.3944102215     0.7620996024     0.3526724358  0.00    0.0000000    0.0000000    0.0000000
C        2.3188771275     0.3162264935    -0.0469513192  0.00    0.0000000    0.0000000    0.0000000
C        2.0141003696    -0.1953385918     1.2874841283  0.00    0.0000000    0.0000000    0.0000000
H        1.8577524501     0.4871020846     2.1121266440  0.00    0.0000000    0.0000000    0.0000000
H        2.3037105044    -1.2064392720     1.5453620522  0.00    0.0000000    0.0000000    0.0000000
H        2.3966723302     1.3797133120    -0.2251591076  0.00    0.0000000    0.0000000    0.0000000
O        3.0045124360    -0.3875518199    -0.9955007434  0.00    0.0000000    0.0000000    0.0000000
H        3.0109353352    -1.3250171194    -0.7724629531  0.00    0.0000000    0.0000000    0.0000000
16
E =   121.000000000000
C       -2.0750670624     0.0436377266    -0.1112749680  0.00    0.0000000    0.0000000    0.0000000
O       -1.3291372252     1.0869158937     0.2524005004  0.00    0.0000000    0.0000000    0.0000000
O       -1.6352151574    -1.0757398453    -0.2131007789  0.00    0.0000000    0.0000000    0.0000000
C       -3.5127505403     0.3824060395    -0.3531557970  0.00    0.0000000    0.0000000    0.0000000
H       -4.0312792136     0.3604145217     0.6056841119  0.00    0.0000000    0.0000000    0.0000000
H       -3.6301633821     1.3708799999    -0.7878444938  0.00    0.0000000    0.0000000    0.0000000
H       -3.9341307127    -0.3820194529    -0.9975437859  0.00    0.0000000    0.0000000    0.0000000
O        1.0254218531    -0.1269987783     0.2550178987  0.00    0.0000000    0.0000000    0.0000000
H       -0.4029374476     0.7603399504     0.3494083120  0.00    0.0000000    0.0000000    0.0000000
C        2.3302402555     0.3178864229    -0.0453029756  0.00    0.0000000    0.0000000    0.0000000
C        2.0244889663    -0.1952463232     1.2880808267  0.00    0.0000000    0.0000000    0.0000000
H        1.8695004309     0.4849577940     2.1148210543  0.00    0.0000000    0.0000000    0.0000000
H        2.3147831736    -1.2069338144     1.5430879878  0.00    0.0000000    0.0000000    0.0000000
H        2.4122291590     1.3812383301    -0.2224577165  0.00    0.0000000    0.0000000    0.0000000
O        3.0153476801    -0.3869737621    -0.9937713703  0.00    0.0000000    0.0000000    0.0000000
H        3.0092226863    -1.3259691338    -0.7773214875  0.00    0.0000000    0.0000000    0.0000000
16
E =   122.000000000000
C       -2.0865719259     0.0392591660    -0.1127712882  0.00    0.0000000    0.0000000    0.0000000
O       -1.3355641453     1.0803230644     0.2475102178  0.00    0.0000000    0.0000000    0.0000000
O       -1.6517093442    -1.0820210481    -0.2140442705  0.00    0.0000000    0.0000000    0.0000000
C       -3.5220724488     0.3908917403    -0.3505242315  0.00    0.0000000    0.0000000    0.0000000
H       -4.0376662211     0.3750192345     0.6100641120  0.00    0.0000000    0.0000000    0.0000000
H       -3.6257373048     1.3823298755    -0.7819642503  0.00    0.0000000    0.0000000    0.0000000
H       -3.9576190674    -0.3651137011    -0.9956140238  0.00    0.0000000    0.0000000    0.0000000
O        1.0358146248    -0.1222981087     0.2559437131  0.00    0.0000000    0.0000000    0.0000000
H       -0.4100969885     0.7543872279     0.3452497039  0.00    0.0000000    0.0000000    0.0000000
C        2.3419989752     0.3198042900    -0.0435449820  0.00    0.0000000    0.0000000    0.0000000
C        2.0352383551    -0.1947121488     1.2888788838  0.00    0.0000000    0.0000000    0.0000000
H        1.8821159757     0.4837846560     2.1173501310  0.00    0.0000000    0.0000000    0.0000000
H        2.3254878177    -1.2070814210     1.5413656768  0.00    0.0000000    0.0000000    0.0000000
H        2.4282315982     1.3830521619    -0.2193321295  0.00    0.0000000    0.0000000    0.0000000
O        3.0262392603    -0.3860601084    -0.9921162507  0.00    0.0000000    0.0000000    0.0000000
H        3.0084547420    -1.3263936020    -0.7816375197  0.00    0.0000000    0.0000000    0.0000000
16
E =   123.000000000000
C       -2.0982497708     0.0353845459    -0.1142811009  0.00    0.0000000    0.0000000    0.0000000
O       -1.3405302037     1.0728694056     0.2425305935  0.00    0.0000000    0.0000000    0.0000000
O       -1.6696526488    -1.0883100336    -0.2152430819  0.00    0.0000000    0.0000000    0.0000000
C       -3.5316520249     0.3994296197    -0.3478900020  0.00    0.0000000    0.0000000    0.0000000
H       -4.0444915337     0.3891016236     0.6142699591  0.00    0.0000000    0.0000000    0.0000000
H       -3.6242070226     1.3928041483    -0.7772193986  0.00    0.0000000    0.0000000    0.0000000
H       -3.9792968474    -0.3495558434    -0.9928480340  0.00    0.0000000    0.0000000    0.0000000
O        1.0463765251    -0.1174453620     0.2571619324  0.00    0.0000000    0.0000000    0.0000000
H       -0.4161580341     0.7454185283     0.3403733340  0.00    0.0000000    0.0000000    0.0000000
C        2.3539066196     0.3218400721    -0.0416943348  0.00    0.0000000    0.0000000    0.0000000
C        2.0461913519    -0.1938675874     1.2898526131  0.00    0.0000000    0.0000000    0.0000000
H        1.8952461362     0.4833922789     2.1197258688  0.00    0.0000000    0.0000000    0.0000000
H        2.3358300834    -1.2069644916     1.5401865822  0.00    0.0000000    0.0000000    0.0000000
H        2.4442547562     1.3850454157    -0.2159279275  0.00    0.0000000    0.0000000    0.0000000
O        3.0369534788    -0.3849149010    -0.9905929352  0.00    0.0000000    0.0000000    0.0000000
H        3.0088139861    -1.3262131506    -0.7855776605  0.00    0.0000000    0.0000000    0.0000000
16
E =   124.000000000000
C       -2.1099217392     0.0318478145    -0.1158188596  0.00    0.0000000    0.0000000    0.0000000
O       -1.3445088082     1.0648889821     0.2374085820  0.00    0.0000000    0.0000000    0.0000000
O       -1.6883781591    -1.0945442394    -0.2167997373  0.00    0.0000000    0.0000000    0.0000000
C       -3.5412630490     0.4079489353    -0.3451031045  0.00    0.0000000    0.0000000    0.0000000
H       -4.0513705983     0.4029998522     0.6185863463  0.00    0.0000000    0.0000000    0.0000000
H       -3.6244327520     1.4026508704    -0.7732760300  0.00    0.0000000    0.0000000    0.0000000
H       -3.9997522680    -0.3351476653    -0.9892630322  0.00    0.0000000    0.0000000    0.0000000
O        1.0569291211    -0.1125498803     0.2587522670  0.00    0.0000000    0.0000000    0.0000000
H       -0.4215307315     0.7345324152     0.3348955457  0.00    0.0000000    0.0000000    0.0000000
C        2.3657632717     0.3239055331    -0.0398072563  0.00    0.0000000    0.0000000    0.0000000
C        2.0572539884    -0.1927703473     1.2910176648  0.00    0.0000000    0.0000000    0.0000000
H        1.9087549650     0.4836585117     2.1220087199  0.00    0.0000000    0.0000000    0.0000000
H        2.3458642773    -1.2066098858     1.5395606362  0.00    0.0000000    0.0000000    0.0000000
H        2.4600553259     1.3870384423    -0.2124635373  0.00    0.0000000    0.0000000    0.0000000
O        3.0473838605    -0.3836272724    -0.9892322986  0.00    0.0000000    0.0000000    0.0000000
H        3.0102253001    -1.3256667180    -0.7891491429  0.00    0.0000000    0.0000000    0.0000000
16
E =   125.000000000000
C       -2.1215598321     0.0285473536    -0.1174445227  0.00    0.0000000    0.0000000    0.0000000
O       -1.3478880679     1.0565778142     0.2321028499  0.00    0.0000000    0.0000000    0.0000000
O       -1.7076447347    -1.1006444054    -0.2188380078  0.00    0.0000000    0.0000000    0.0000000
C       -3.5507696229     0.4163841638    -0.3420409676  0.00    0.0000000    0.0000000    0.0000000
H       -4.0579132013     0.4168778545     0.6232353597  0.00    0.0000000    0.0000000    0.0000000
H       -3.6256927917     1.4119489333    -0.7698359693  0.00    0.0000000    0.0000000    0.0000000
H       -4.0193671260    -0.3216643293    -0.9847313234  0.00    0.0000000    0.0000000    0.0000000
O        1.0675418107    -0.1077531502     0.2607708684  0.00    0.0000000    0.0000000    0.0000000
H       -0.4265017753     0.7225729723     0.3289766547  0.00    0.0000000    0.0000000    0.0000000
C        2.3774956828     0.3259534306    -0.0378970718  0.00    0.0000000    0.0000000    0.0000000
C        2.0684799117    -0.1913934805     1.2924166878  0.00    0.0000000    0.0000000    0.0000000
H        1.9225646297     0.4845530593     2.1242539809  0.00    0.0000000    0.0000000    0.0000000
H        2.3558123854    -1.2059474411     1.5395388360  0.00    0.0000000    0.0000000    0.0000000
H        2.4754284827     1.3890216662    -0.2091192057  0.00    0.0000000    0.0000000    0.0000000
O        3.0574771548    -0.3822676807    -0.9880475408  0.00    0.0000000    0.0000000    0.0000000
H        3.0126630636    -1.3248681903    -0.7922428284  0.00    0.0000000    0.0000000    0.0000000
16
E =   126.000000000000
C       -2.1330606862     0.0253796229    -0.1192072171  0.00    0.0000000    0.0000000    0.0000000
O       -1.3508439139     1.0481038563     0.2266417124  0.00    0.0000000    0.0000000    0.0000000
O       -1.7270319192    -1.1066687939    -0.2213655862  0.00    0.0000000    0.0000000    0.0000000
C       -3.5602205165     0.4247955201    -0.3386695008  0.00    0.0000000    0.0000000    0.0000000
H       -4.0639871663     0.4310365721     0.6284141151  0.00    0.0000000    0.0000000    0.0000000
H       -3.6275741308     1.4208414115    -0.7667180435  0.00    0.0000000    0.0000000    0.0000000
H       -4.0387110150    -0.3088468534    -0.9792203524  0.00    0.0000000    0.0000000    0.0000000
O        1.0780713598    -0.1031194836     0.2631832597  0.00    0.0000000    0.0000000    0.0000000
H       -0.4311349803     0.7100701213     0.3227197402  0.00    0.0000000    0.0000000    0.0000000
C        2.3890108336     0.3279750712    -0.0360025494  0.00    0.0000000    0.0000000    0.0000000
C        2.0798218161    -0.1897618401     1.2940156625  0.00    0.0000000    0.0000000    0.0000000
H        1.9366591123     0.4859980986     2.1264882961  0.00    0.0000000    0.0000000    0.0000000
H        2.3658774419    -1.2049523441     1.5400341928  0.00    0.0000000    0.0000000    0.0000000
H        2.4902711891     1.3909590148    -0.2059519438  0.00    0.0000000    0.0000000    0.0000000
O        3.0671949448    -0.3808887671    -0.9869920718  0.00    0.0000000    0.0000000    0.0000000
H        3.0161550826    -1.3239301348    -0.7947283898  0.00    0.0000000    0.0000000    0.0000000
16
E =   127.000000000000
C       -2.1444691790     0.0223413674    -0.1211246906  0.00    0.0000000    0.0000000    0.0000000
O       -1.3535996347     1.0395510240     0.2210600486  0.00    0.0000000    0.0000000    0.0000000
O       -1.7465683765    -1.1125047852    -0.2246070663  0.00    0.0000000    0.0000000    0.0000000
C       -3.5695409828     0.4330725734    -0.3349007770  0.00    0.0000000    0.0000000    0.0000000
H       -4.0693049351     0.4454696589     0.6342255114  0.00    0.0000000    0.0000000    0.0000000
H       -3.6298735085     1.4292040139    -0.7638932806  0.00    0.0000000    0.0000000    0.0000000
H       -4.0577930028    -0.2966940889    -0.9725124317  0.00    0.0000000    0.0000000    0.0000000
O        1.0886518771    -0.0987548367     0.2661205775  0.00    0.0000000    0.0000000    0.0000000
H       -0.4356355722     0.6973344337     0.3162270754  0.00    0.0000000    0.0000000    0.0000000
C        2.4002825766     0.3299550710    -0.0341791201  0.00    0.0000000    0.0000000    0.0000000
C        2.0914207139    -0.1877617247     1.2958453043  0.00    0.0000000    0.0000000    0.0000000
H        1.9510175807     0.4881038277     2.1287009504  0.00    0.0000000    0.0000000    0.0000000
H        2.3763010679    -1.2034718783     1.5411245991  0.00    0.0000000    0.0000000    0.0000000
H        2.5043645090     1.3928348233    -0.2032515789  0.00    0.0000000    0.0000000    0.0000000
O        3.0765285740    -0.3795953024    -0.9860657597  0.00    0.0000000    0.0000000    0.0000000
H        3.0207062959    -1.3228724825    -0.7964490219  0.00    0.0000000    0.0000000    0.0000000
16
E =   128.000000000000
C       -2.1557060376     0.0193910125    -0.1232592822  0.00    0.0000000    0.0000000    0.0000000
O       -1.3562017304     1.0309461446     0.2154522637  0.00    0.0000000    0.0000000    0.0000000
O       -1.7660512789    -1.1181459805    -0.2287636444  0.00    0.0000000    0.0000000    0.0000000
C       -3.5786810158     0.4412243848    -0.3306526618  0.00    0.0000000    0.0000000    0.0000000
H       -4.0737063458     0.4603232376     0.6408223244  0.00    0.0000000    0.0000000    0.0000000
H       -3.6324850391     1.4370302302    -0.7613093742  0.00    0.0000000    0.0000000    0.0000000
H       -4.0768125926    -0.2852213582    -0.9644318057  0.00    0.0000000    0.0000000    0.0000000
O        1.0991745865    -0.0946534370     0.2696711184  0.00    0.0000000    0.0000000    0.0000000
H       -0.4400129272     0.6845414293     0.3095736140  0.00    0.0000000    0.0000000    0.0000000
C        2.4112111155     0.3318885772    -0.0325018677  0.00    0.0000000    0.0000000    0.0000000
C        2.1033085919    -0.1852826848     1.2979242499  0.00    0.0000000    0.0000000    0.0000000
H        1.9657067891     0.4910352215     2.1308842248  0.00    0.0000000    0.0000000    0.0000000
H        2.3872895897    -1.2013362795     1.5428565712  0.00    0.0000000    0.0000000    0.0000000
H        2.5175442807     1.3946162785    -0.2012892449  0.00    0.0000000    0.0000000    0.0000000
O        3.0853826122    -0.3785068593    -0.9852450147  0.00    0.0000000    0.0000000    0.0000000
H        3.0261781362    -1.3218888594    -0.7972723101  0.00    0.0000000    0.0000000    0.0000000
16
E =   129.000000000000
C       -2.1667702926     0.0165529744    -0.1255853856  0.00    0.0000000    0.0000000    0.0000000
O       -1.3587860578     1.0223902478     0.2098135894  0.00    0.0000000    0.0000000    0.0000000
O       -1.7850586312    -1.1234016671    -0.2335048552  0.00    0.0000000    0.0000000    0.0000000
C       -3.5876625749     0.4492349677    -0.3260076062  0.00    0.0000000    0.0000000    0.0000000
H       -4.0771169431     0.4757326812     0.6481241560  0.00    0.0000000    0.0000000    0.0000000
H       -3.6353701211     1.4443548681    -0.7590352005  0.00    0.0000000    0.0000000    0.0000000
H       -4.0960789305    -0.2741923065    -0.9549801280  0.00    0.0000000    0.0000000    0.0000000
O        1.1094556137    -0.0911935047     0.2735307519  0.00    0.0000000    0.0000000    0.0000000
H       -0.4444722732     0.6716212667     0.3027342124  0.00    0.0000000    0.0000000    0.0000000
C        2.4216398632     0.3337770457    -0.0309628227  0.00    0.0000000    0.0000000    0.0000000
C        2.1153287382    -0.1824225138     1.3001356468  0.00    0.0000000    0.0000000    0.0000000
H        1.9805607647     0.4946690066     2.1329568946  0.00    0.0000000    0.0000000    0.0000000
H        2.3990136213    -1.1985461552     1.5451632214  0.00    0.0000000    0.0000000    0.0000000
H        2.5296391057     1.3963271841    -0.1999251070  0.00    0.0000000    0.0000000    0.0000000
O        3.0939322818    -0.3774914287    -0.9844186894  0.00    0.0000000    0.0000000    0.0000000
H        3.0327174522    -1.3208910920    -0.7971457005  0.00    0.0000000    0.0000000    0.0000000
16
E =   130.000000000000
C       -2.1775850103     0.0138181258    -0.1280891610  0.00    0.0000000    0.0000000    0.0000000
O       -1.3612244657     1.0139703467     0.2040865955  0.00    0.0000000    0.0000000    0.0000000
O       -1.8035546745    -1.1284357367    -0.2387498625  0.00    0.0000000    0.0000000    0.0000000
C       -3.5965054797     0.4571825231    -0.3209181491  0.00    0.0000000    0.0000000    0.0000000
H       -4.0795435239     0.4920178039     0.6562131370  0.00    0.0000000    0.0000000    0.0000000
H       -3.6383983330     1.4512582829    -0.7571360732  0.00    0.0000000    0.0000000    0.0000000
H       -4.1157116449    -0.2636899615    -0.9440794901  0.00    0.0000000    0.0000000    0.0000000
O        1.1194299884    -0.0884382038     0.2776091554  0.00    0.0000000    0.0000000    0.0000000
H       -0.4488207540     0.6587316950     0.2957635792  0.00    0.0000000    0.0000000    0.0000000
C        2.4314875532     0.3356207567    -0.0295751313  0.00    0.0000000    0.0000000    0.0000000
C        2.1273311801    -0.1792316786     1.3024349022  0.00    0.0000000    0.0000000    0.0000000
H        1.9952167620     0.4988780529     2.1348791279  0.00    0.0000000    0.0000000    0.0000000
H        2.4114423264    -1.1951314974     1.5479242044  0.00    0.0000000    0.0000000    0.0000000
H        2.5403868540     1.3980177473    -0.1991497122  0.00    0.0000000    0.0000000    0.0000000
O        3.1022222115    -0.3764535203    -0.9835273666  0.00    0.0000000    0.0000000    0.0000000
H        3.0405790751    -1.3197650251    -0.7959913022  0.00    0.0000000    0.0000000    0.0000000
16
E =   131.000000000000
C       -2.1881174950     0.0111536499    -0.1306629068  0.00    0.0000000    0.0000000    0.0000000
O       -1.3634671621     1.0055912903     0.1982686865  0.00    0.0000000    0.0000000    0.0000000
O       -1.8217093173    -1.1332772273    -0.2442330585  0.00    0.0000000    0.0000000    0.0000000
C       -3.6049700711     0.4651457055    -0.3154795108  0.00    0.0000000    0.0000000    0.0000000
H       -4.0807293482     0.5093173291     0.6649093173  0.00    0.0000000    0.0000000    0.0000000
H       -3.6413114812     1.4576778146    -0.7558541687  0.00    0.0000000    0.0000000    0.0000000
H       -4.1354507691    -0.2535582487    -0.9316428902  0.00    0.0000000    0.0000000    0.0000000
O        1.1290580987    -0.0863884691     0.2816696928  0.00    0.0000000    0.0000000    0.0000000
H       -0.4530491660     0.6457273077     0.2885779911  0.00    0.0000000    0.0000000    0.0000000
C        2.4407082398     0.3374935042    -0.0283274527  0.00    0.0000000    0.0000000    0.0000000
C        2.1390677266    -0.1758215077     1.3047312186  0.00    0.0000000    0.0000000    0.0000000
H        2.0092354147     0.5034001672     2.1366505607  0.00    0.0000000    0.0000000    0.0000000
H        2.4243564070    -1.1912409131     1.5509687916  0.00    0.0000000    0.0000000    0.0000000
H        2.5497056133     1.3997426639    -0.1989055174  0.00    0.0000000    0.0000000    0.0000000
O        3.1104099178    -0.3752640759    -0.9825179089  0.00    0.0000000    0.0000000    0.0000000
H        3.0500141425    -1.3184026770    -0.7937407868  0.00    0.0000000    0.0000000    0.0000000
16
E =   132.000000000000
C       -2.1983673004     0.0085609194    -0.1332134725  0.00    0.0000000    0.0000000    0.0000000
O       -1.3653247277     0.9971254381     0.1924709262  0.00    0.0000000    0.0000000    0.0000000
O       -1.8400686100    -1.1381091398    -0.2498593339  0.00    0.0000000    0.0000000    0.0000000
C       -3.6129561037     0.4732198194    -0.3098053967  0.00    0.0000000    0.0000000    0.0000000
H       -4.0807394519     0.5276610647     0.6739455173  0.00    0.0000000    0.0000000    0.0000000
H       -3.6439624435     1.4636675044    -0.7553886417  0.00    0.0000000    0.0000000    0.0000000
H       -4.1548414121    -0.2438638281    -0.9178972970  0.00    0.0000000    0.0000000    0.0000000
O        1.1385084507    -0.0850187109     0.2855587833  0.00    0.0000000    0.0000000    0.0000000
H       -0.4569134070     0.6326171591     0.2812571687  0.00    0.0000000    0.0000000    0.0000000
C        2.4493881039     0.3394876686    -0.0272267993  0.00    0.0000000    0.0000000    0.0000000
C        2.1504465816    -0.1721440976     1.3070093361  0.00    0.0000000    0.0000000    0.0000000
H        2.0221117803     0.5082530182     2.1382262503  0.00    0.0000000    0.0000000    0.0000000
H        2.4374954677    -1.1868524448     1.5542619144  0.00    0.0000000    0.0000000    0.0000000
H        2.5575240467     1.4016087938    -0.1992315302  0.00    0.0000000    0.0000000    0.0000000
O        3.1186239761    -0.3738326599    -0.9813584849  0.00    0.0000000    0.0000000    0.0000000
H        3.0608905614    -1.3167112136    -0.7904913042  0.00    0.0000000    0.0000000    0.0000000
16
E =   133.000000000000
C       -2.2084289389     0.0060102517    -0.1355411254  0.00    0.0000000    0.0000000    0.0000000
O       -1.3667828925     0.9884425370     0.1866270018  0.00    0.0000000    0.0000000    0.0000000
O       -1.8588445744    -1.1430201452    -0.2547104705  0.00    0.0000000    0.0000000    0.0000000
C       -3.6203739066     0.4816302190    -0.3042459507  0.00    0.0000000    0.0000000    0.0000000
H       -4.0797670873     0.5471154875     0.6827301310  0.00    0.0000000    0.0000000    0.0000000
H       -3.6459828315     1.4695358754    -0.7558593716  0.00    0.0000000    0.0000000    0.0000000
H       -4.1737347953    -0.2340149449    -0.9034825059  0.00    0.0000000    0.0000000    0.0000000
O        1.1477461919    -0.0844739271     0.2885628378  0.00    0.0000000    0.0000000    0.0000000
H       -0.4604907178     0.6191057806     0.2737835639  0.00    0.0000000    0.0000000    0.0000000
C        2.4576285805     0.3416853923    -0.0261763514  0.00    0.0000000    0.0000000    0.0000000
C        2.1610118837    -0.1685794099     1.3090498385  0.00    0.0000000    0.0000000    0.0000000
H        2.0330624333     0.5127912931     2.1395497334  0.00    0.0000000    0.0000000    0.0000000
H        2.4504180297    -1.1823630292     1.5574052051  0.00    0.0000000    0.0000000    0.0000000
H        2.5640483434     1.4037604572    -0.1995560025  0.00    0.0000000    0.0000000    0.0000000
O        3.1274126340    -0.3717269088    -0.9798764645  0.00    0.0000000    0.0000000    0.0000000
H        3.0732511238    -1.3143331922    -0.7866735269  0.00    0.0000000    0.0000000    0.0000000
16
E =   134.000000000000
C       -2.2181500811     0.0035525582    -0.1375609752  0.00    0.0000000    0.0000000    0.0000000
O       -1.3677273745     0.9798095758     0.1806519890  0.00    0.0000000    0.0000000    0.0000000
O       -1.8774561503    -1.1479451117    -0.2586951953  0.00    0.0000000    0.0000000    0.0000000
C       -3.6273092019     0.4903564732    -0.2987181609  0.00    0.0000000    0.0000000    0.0000000
H       -4.0781742930     0.5680125808     0.6914022316  0.00    0.0000000    0.0000000    0.0000000
H       -3.6472917165     1.4752455382    -0.7573782051  0.00    0.0000000    0.0000000    0.0000000
H       -4.1923219537    -0.2242691340    -0.8883477971  0.00    0.0000000    0.0000000    0.0000000
O        1.1564422373    -0.0852337873     0.2906194972  0.00    0.0000000    0.0000000    0.0000000
H       -0.4636317070     0.6053807371     0.2661239492  0.00    0.0000000    0.0000000    0.0000000
C        2.4651265798     0.3440129169    -0.0252299154  0.00    0.0000000    0.0000000    0.0000000
C        2.1704686933    -0.1651281857     1.3107770075  0.00    0.0000000    0.0000000    0.0000000
H        2.0415953688     0.5171145781     2.1404543387  0.00    0.0000000    0.0000000    0.0000000
H        2.4631503908    -1.1776808753     1.5604793342  0.00    0.0000000    0.0000000    0.0000000
H        2.5687859698     1.4061616356    -0.1999729201  0.00    0.0000000    0.0000000    0.0000000
O        3.1368737485    -0.3687976252    -0.9780307956  0.00    0.0000000    0.0000000    0.0000000
H        3.0873422422    -1.3111502208    -0.7823720552  0.00    0.0000000    0.0000000    0.0000000
16
E =   135.000000000000
C       -2.2272583319     0.0012371987    -0.1392849363  0.00    0.0000000    0.0000000    0.0000000
O       -1.3681524507     0.9712862833     0.1747438296  0.00    0.0000000    0.0000000    0.0000000
O       -1.8954398624    -1.1526291595    -0.2623041348  0.00    0.0000000    0.0000000    0.0000000
C       -3.6334346595     0.4991861677    -0.2930430469  0.00    0.0000000    0.0000000    0.0000000
H       -4.0753349754     0.5903484910     0.7000051621  0.00    0.0000000    0.0000000    0.0000000
H       -3.6478433939     1.4803258973    -0.7600978448  0.00    0.0000000    0.0000000    0.0000000
H       -4.2102058880    -0.2148415006    -0.8719175153  0.00    0.0000000    0.0000000    0.0000000
O        1.1643611903    -0.0874315629     0.2919485278  0.00    0.0000000    0.0000000    0.0000000
H       -0.4662957348     0.5916416767     0.2583174367  0.00    0.0000000    0.0000000    0.0000000
C        2.4715176742     0.3464049897    -0.0245510413  0.00    0.0000000    0.0000000    0.0000000
C        2.1787587852    -0.1615017769     1.3122708055  0.00    0.0000000    0.0000000    0.0000000
H        2.0476108797     0.5217481630     2.1407920787  0.00    0.0000000    0.0000000    0.0000000
H        2.4757924945    -1.1723567770     1.5637980153  0.00    0.0000000    0.0000000    0.0000000
H        2.5711359953     1.4086754222    -0.2010194690  0.00    0.0000000    0.0000000    0.0000000
O        3.1466016444    -0.3652824061    -0.9758444949  0.00    0.0000000    0.0000000    0.0000000
H        3.1032733642    -1.3073359807    -0.7771927632  0.00    0.0000000    0.0000000    0.0000000
16
E =   136.000000000000
C       -2.2351890985    -0.0008926119    -0.1408409129  0.00    0.0000000    0.0000000    0.0000000
O       -1.3678454178     0.9631048681     0.1693192164  0.00    0.0000000    0.0000000    0.0000000
O       -1.9116841436    -1.1568258267    -0.2664674688  0.00    0.0000000    0.0000000    0.0000000
C       -3.6384427960     0.5078412362    -0.2868796617  0.00    0.0000000    0.0000000    0.0000000
H       -4.0703861284     0.6144767535     0.7090779849  0.00    0.0000000    0.0000000    0.0000000
H       -3.6476657854     1.4842187436    -0.7641764517  0.00    0.0000000    0.0000000    0.0000000
H       -4.2273712935    -0.2063800424    -0.8531741533  0.00    0.0000000    0.0000000    0.0000000
O        1.1709809449    -0.0912781494     0.2929456667  0.00    0.0000000    0.0000000    0.0000000
H       -0.4681506490     0.5783118440     0.2506677516  0.00    0.0000000    0.0000000    0.0000000
C        2.4761209283     0.3487427310    -0.0243756861  0.00    0.0000000    0.0000000    0.0000000
C        2.1856826129    -0.1571190431     1.3136337438  0.00    0.0000000    0.0000000    0.0000000
H        2.0511049958     0.5276869916     2.1403359084  0.00    0.0000000    0.0000000    0.0000000
H        2.4884269650    -1.1656181737     1.5679517583  0.00    0.0000000    0.0000000    0.0000000
H        2.5701437832     1.4110908924    -0.2035563261  0.00    0.0000000    0.0000000    0.0000000
O        3.1557903854    -0.3616722193    -0.9733801773  0.00    0.0000000    0.0000000    0.0000000
H        3.1208979798    -1.3031846295    -0.7704260625  0.00    0.0000000    0.0000000    0.0000000
16
E =   137.000000000000
C       -2.2415098709    -0.0027208056    -0.1422125045  0.00    0.0000000    0.0000000    0.0000000
O       -1.3666639732     0.9554516566     0.1649216240  0.00    0.0000000    0.0000000    0.0000000
O       -1.9256699794    -1.1603361506    -0.2713762641  0.00    0.0000000    0.0000000    0.0000000
C       -3.6419117466     0.5160216679    -0.2803473767  0.00    0.0000000    0.0000000    0.0000000
H       -4.0626766190     0.6401456830     0.7182150813  0.00    0.0000000    0.0000000    0.0000000
H       -3.6468228986     1.4863776002    -0.7699873154  0.00    0.0000000    0.0000000    0.0000000
H       -4.2430637731    -0.1992809530    -0.8319344156  0.00    0.0000000    0.0000000    0.0000000
O        1.1760821942    -0.0969463300     0.2934873432  0.00    0.0000000    0.0000000    0.0000000
H       -0.4689521632     0.5658326852     0.2436152088  0.00    0.0000000    0.0000000    0.0000000
C        2.4785011648     0.3509390010    -0.0248823415  0.00    0.0000000    0.0000000    0.0000000
C        2.1908306958    -0.1517377533     1.3148124694  0.00    0.0000000    0.0000000    0.0000000
H        2.0515187501     0.5353115312     2.1388765654  0.00    0.0000000    0.0000000    0.0000000
H        2.5007209860    -1.1570260103     1.5731912976  0.00    0.0000000    0.0000000    0.0000000
H        2.5651796291     1.4132268804    -0.2080307497  0.00    0.0000000    0.0000000    0.0000000
O        3.1640182297    -0.3581531064    -0.9705964871  0.00    0.0000000    0.0000000    0.0000000
H        3.1397142432    -1.2986578926    -0.7618100448  0.00    0.0000000    0.0000000    0.0000000
16
E =   138.000000000000
C       -2.2463429863    -0.0042012444    -0.1433356203  0.00    0.0000000    0.0000000    0.0000000
O       -1.3647175235     0.9484979422     0.1617330483  0.00    0.0000000    0.0000000    0.0000000
O       -1.9374227384    -1.1632455765    -0.2767211934  0.00    0.0000000    0.0000000    0.0000000
C       -3.6441466646     0.5237094325    -0.2737614455  0.00    0.0000000    0.0000000    0.0000000
H       -4.0533052665     0.6666318030     0.7272644727  0.00    0.0000000    0.0000000    0.0000000
H       -3.6454372634     1.4872087631    -0.7771468017  0.00    0.0000000    0.0000000    0.0000000
H       -4.2572693708    -0.1937058083    -0.8093433767  0.00    0.0000000    0.0000000    0.0000000
O        1.1797522115    -0.1043973930     0.2933731175  0.00    0.0000000    0.0000000    0.0000000
H       -0.4687730435     0.5543104160     0.2374738118  0.00    0.0000000    0.0000000    0.0000000
C        2.4788840953     0.3530207775    -0.0260342350  0.00    0.0000000    0.0000000    0.0000000
C        2.1942114745    -0.1454781354     1.3157769532  0.00    0.0000000    0.0000000    0.0000000
H        2.0486672017     0.5444660956     2.1363793757  0.00    0.0000000    0.0000000    0.0000000
H        2.5125803293    -1.1468258978     1.5793721704  0.00    0.0000000    0.0000000    0.0000000
H        2.5566067201     1.4151667251    -0.2142529838  0.00    0.0000000    0.0000000    0.0000000
O        3.1716049648    -0.3547398254    -0.9675199221  0.00    0.0000000    0.0000000    0.0000000
H        3.1589000452    -1.2940319583    -0.7520400797  0.00    0.0000000    0.0000000    0.0000000
16
E =   139.000000000000
C       -2.2500481139    -0.0053833681    -0.1441151729  0.00    0.0000000    0.0000000    0.0000000
O       -1.3622319770     0.9420132367     0.1596212304  0.00    0.0000000    0.0000000    0.0000000
O       -1.9475781775    -1.1655918561    -0.2821429930  0.00    0.0000000    0.0000000    0.0000000
C       -3.6452839465     0.5309841889    -0.2673305892  0.00    0.0000000    0.0000000    0.0000000
H       -4.0427794785     0.6929442784     0.7354387294  0.00    0.0000000    0.0000000    0.0000000
H       -3.6437061655     1.4870089196    -0.7850306524  0.00    0.0000000    0.0000000    0.0000000
H       -4.2695829064    -0.1887845840    -0.7864332327  0.00    0.0000000    0.0000000    0.0000000
O        1.1824252652    -0.1132650240     0.2925200330  0.00    0.0000000    0.0000000    0.0000000
H       -0.4679275078     0.5434862647     0.2321492476  0.00    0.0000000    0.0000000    0.0000000
C        2.4777475445     0.3549533631    -0.0277407669  0.00    0.0000000    0.0000000    0.0000000
C        2.1960151364    -0.1385646294     1.3164413489  0.00    0.0000000    0.0000000    0.0000000
H        2.0429291888     0.5546791092     2.1329182224  0.00    0.0000000    0.0000000    0.0000000
H        2.5238483182    -1.1352429598     1.5862112206  0.00    0.0000000    0.0000000    0.0000000
H        2.5452759850     1.4167573914    -0.2218979326  0.00    0.0000000    0.0000000    0.0000000
O        3.1788495286    -0.3513168966    -0.9641088547  0.00    0.0000000    0.0000000    0.0000000
H        3.1779861746    -1.2890362083    -0.7415921853  0.00    0.0000000    0.0000000    0.0000000
16
E =   140.000000000000
C       -2.2528440689    -0.0063577090    -0.1445932465  0.00    0.0000000    0.0000000    0.0000000
O       -1.3592819718     0.9359109048     0.1582832858  0.00    0.0000000    0.0000000    0.0000000
O       -1.9565167129    -1.1675924000    -0.2872203987  0.00    0.0000000    0.0000000    0.0000000
C       -3.6455533037     0.5379770327    -0.2612421299  0.00    0.0000000    0.0000000    0.0000000
H       -4.0315447427     0.7190858186     0.7426788815  0.00    0.0000000    0.0000000    0.0000000
H       -3.6415055822     1.4861223919    -0.7934942939  0.00    0.0000000    0.0000000    0.0000000
H       -4.2804267029    -0.1842334281    -0.7637169745  0.00    0.0000000    0.0000000    0.0000000
O        1.1843504656    -0.1230964161     0.2909883977  0.00    0.0000000    0.0000000    0.0000000
H       -0.4665391584     0.5332165528     0.2275272409  0.00    0.0000000    0.0000000    0.0000000
C        2.4754931648     0.3567651296    -0.0297995996  0.00    0.0000000    0.0000000    0.0000000
C        2.1964083421    -0.1314194374     1.3168182846  0.00    0.0000000    0.0000000    0.0000000
H        2.0347913751     0.5652385383     2.1287624335  0.00    0.0000000    0.0000000    0.0000000
H        2.5342815003    -1.1229044422     1.5933136834  0.00    0.0000000    0.0000000    0.0000000
H        2.5320806734     1.4180415372    -0.2303148872  0.00    0.0000000    0.0000000    0.0000000
O        3.1858582866    -0.3477181203    -0.9604978978  0.00    0.0000000    0.0000000    0.0000000
H        3.1968568251    -1.2836511484    -0.7309775086  0.00    0.0000000    0.0000000    0.0000000
16
E =   141.000000000000
C       -2.2549252402    -0.0071728140    -0.1447681483  0.00    0.0000000    0.0000000    0.0000000
O       -1.3559658304     0.9301128185     0.1574903304  0.00    0.0000000    0.0000000    0.0000000
O       -1.9644695677    -1.1692800979    -0.2917781617  0.00    0.0000000    0.0000000    0.0000000
C       -3.6450856817     0.5446986305    -0.2556348223  0.00    0.0000000    0.0000000    0.0000000
H       -4.0197032190     0.7451956863     0.7486859435  0.00    0.0000000    0.0000000    0.0000000
H       -3.6389764421     1.4844062612    -0.8027348499  0.00    0.0000000    0.0000000    0.0000000
H       -4.2899486256    -0.1799580531    -0.7412194278  0.00    0.0000000    0.0000000    0.0000000
O        1.1857751141    -0.1335493824     0.2889717759  0.00    0.0000000    0.0000000    0.0000000
H       -0.4647295938     0.5234402683     0.2234855271  0.00    0.0000000    0.0000000    0.0000000
C        2.4723847282     0.3584153063    -0.0320872681  0.00    0.0000000    0.0000000    0.0000000
C        2.1956751250    -0.1243295561     1.3169085318  0.00    0.0000000    0.0000000    0.0000000
H        2.0248528661     0.5755642735     2.1241096030  0.00    0.0000000    0.0000000    0.0000000
H        2.5438128728    -1.1102193430     1.6003739687  0.00    0.0000000    0.0000000    0.0000000
H        2.5176053129     1.4189134205    -0.2391350558  0.00    0.0000000    0.0000000    0.0000000
O        3.1925229233    -0.3438420247    -0.9567822550  0.00    0.0000000    0.0000000    0.0000000
H        3.2152817519    -1.2777345974    -0.7203707630  0.00    0.0000000    0.0000000    0.0000000
16
E =   142.000000000000
C       -2.2565685055    -0.0079048901    -0.1447411422  0.00    0.0000000    0.0000000    0.0000000
O       -1.3523378191     0.9245259994     0.1569499227  0.00    0.0000000    0.0000000    0.0000000
O       -1.9718927670    -1.1709662771    -0.2957720964  0.00    0.0000000    0.0000000    0.0000000
C       -3.6441759008     0.5514252443    -0.2503379596  0.00    0.0000000    0.0000000    0.0000000
H       -4.0078230340     0.7712328067     0.7540601849  0.00    0.0000000    0.0000000    0.0000000
H       -3.6360132375     1.4825561526    -0.8122657420  0.00    0.0000000    0.0000000    0.0000000
H       -4.2986951934    -0.1756539949    -0.7191988746  0.00    0.0000000    0.0000000    0.0000000
O        1.1867301583    -0.1445097980     0.2864793098  0.00    0.0000000    0.0000000    0.0000000
H       -0.4625948431     0.5138252028     0.2197486744  0.00    0.0000000    0.0000000    0.0000000
C        2.4687630720     0.3600780098    -0.0344764723  0.00    0.0000000    0.0000000    0.0000000
C        2.1941189994    -0.1173490300     1.3167847813  0.00    0.0000000    0.0000000    0.0000000
H        2.0134450363     0.5856631807     2.1191951716  0.00    0.0000000    0.0000000    0.0000000
H        2.5527849359    -1.0974770287     1.6072304521  0.00    0.0000000    0.0000000    0.0000000
H        2.5023088013     1.4197944754    -0.2480158388  0.00    0.0000000    0.0000000    0.0000000
O        3.1992638192    -0.3396672928    -0.9529679950  0.00    0.0000000    0.0000000    0.0000000
H        3.2333035521    -1.2715991785    -0.7100602199  0.00    0.0000000    0.0000000    0.0000000
16
E =   143.000000000000
C       -2.2579487615    -0.0085915541    -0.1445205569  0.00    0.0000000    0.0000000    0.0000000
O       -1.3484142186     0.9188915115     0.1564309797  0.00    0.0000000    0.0000000    0.0000000
O       -1.9792145144    -1.1726068068    -0.2992227622  0.00    0.0000000    0.0000000    0.0000000
C       -3.6428619863     0.5581975784    -0.2452999194  0.00    0.0000000    0.0000000    0.0000000
H       -3.9957531024     0.7968325704     0.7585473650  0.00    0.0000000    0.0000000    0.0000000
H       -3.6328456852     1.4805420882    -0.8217288325  0.00    0.0000000    0.0000000    0.0000000
H       -4.3065548876    -0.1709112537    -0.6977196516  0.00    0.0000000    0.0000000    0.0000000
O        1.1876186692    -0.1557156239     0.2836552723  0.00    0.0000000    0.0000000    0.0000000
H       -0.4602337514     0.5040771598     0.2160846386  0.00    0.0000000    0.0000000    0.0000000
C        2.4648082283     0.3617090672    -0.0369252947  0.00    0.0000000    0.0000000    0.0000000
C        2.1919482132    -0.1105388648     1.3164542468  0.00    0.0000000    0.0000000    0.0000000
H        2.0009770618     0.5952400963     2.1140578788  0.00    0.0000000    0.0000000    0.0000000
H        2.5611429368    -1.0846573211     1.6138576259  0.00    0.0000000    0.0000000    0.0000000
H        2.4865262698     1.4204180192    -0.2569258006  0.00    0.0000000    0.0000000    0.0000000
O        3.2059629852    -0.3351314287    -0.9490160447  0.00    0.0000000    0.0000000    0.0000000
H        3.2507392977    -1.2649496933    -0.6999153157  0.00    0.0000000    0.0000000    0.0000000
16
E =   144.000000000000
C       -2.2590994313    -0.0092695549    -0.1441940558  0.00    0.0000000    0.0000000    0.0000000
O       -1.3442580328     0.9132072637     0.1559814195  0.00    0.0000000    0.0000000    0.0000000
O       -1.9864131142    -1.1742500986    -0.3024184925  0.00    0.0000000    0.0000000    0.0000000
C       -3.6412290553     0.5650060480    -0.2404143304  0.00    0.0000000    0.0000000    0.0000000
H       -3.9834682125     0.8222165574     0.7624658629  0.00    0.0000000    0.0000000    0.0000000
H       -3.6294919372     1.4784090971    -0.8311287573  0.00    0.0000000    0.0000000    0.0000000
H       -4.3138463284    -0.1657979830    -0.6764918146  0.00    0.0000000    0.0000000    0.0000000
O        1.1884503167    -0.1670197536     0.2806815551  0.00    0.0000000    0.0000000    0.0000000
H       -0.4576869952     0.4942713500     0.2124901221  0.00    0.0000000    0.0000000    0.0000000
C        2.4606090089     0.3633196500    -0.0394180860  0.00    0.0000000    0.0000000    0.0000000
C        2.1893440590    -0.1037812941     1.3159979977  0.00    0.0000000    0.0000000    0.0000000
H        1.9878340349     0.6045397824     2.1087463982  0.00    0.0000000    0.0000000    0.0000000
H        2.5690190504    -1.0717030196     1.6203374422  0.00    0.0000000    0.0000000    0.0000000
H        2.4704848098     1.4208333908    -0.2659179385  0.00    0.0000000    0.0000000    0.0000000
O        3.2125066693    -0.3304186719    -0.9450049346  0.00    0.0000000    0.0000000    0.0000000
H        3.2676986541    -1.2580043595    -0.6898139882  0.00    0.0000000    0.0000000    0.0000000
16
E =   145.000000000000
C       -2.2601883860    -0.0099607444    -0.1438096395  0.00    0.0000000    0.0000000    0.0000000
O       -1.3400513179     0.9073810642     0.1556787030  0.00    0.0000000    0.0000000    0.0000000
O       -1.9936877749    -1.1758417857    -0.3056659707  0.00    0.0000000    0.0000000    0.0000000
C       -3.6394160131     0.5718310054    -0.2355757931  0.00    0.0000000    0.0000000    0.0000000
H       -3.9708374910     0.8474835238     0.7657912393  0.00    0.0000000    0.0000000    0.0000000
H       -3.6262765110     1.4758959923    -0.8405490933  0.00    0.0000000    0.0000000    0.0000000
H       -4.3207444160    -0.1603319013    -0.6551378186  0.00    0.0000000    0.0000000    0.0000000
O        1.1894554506    -0.1782692919     0.2777123554  0.00    0.0000000    0.0000000    0.0000000
H       -0.4551145568     0.4843436103     0.2089807728  0.00    0.0000000    0.0000000    0.0000000
C        2.4563647506     0.3648657620    -0.0420098939  0.00    0.0000000    0.0000000    0.0000000
C        2.1865598095    -0.0969276940     1.3154654435  0.00    0.0000000    0.0000000    0.0000000
H        1.9743897069     0.6137184395     2.1032309064  0.00    0.0000000    0.0000000    0.0000000
H        2.5765445489    -1.0584263639     1.6267845068  0.00    0.0000000    0.0000000    0.0000000
H        2.4544774429     1.4209100578    -0.2751709511  0.00    0.0000000    0.0000000    0.0000000
O        3.2189282745    -0.3256813248    -0.9409169468  0.00    0.0000000    0.0000000    0.0000000
H        3.2840396510    -1.2508935277    -0.6796546287  0.00    0.0000000    0.0000000    0.0000000
16
E =   146.000000000000
C       -2.2612462512    -0.0106630496    -0.1433577157  0.00    0.0000000    0.0000000    0.0000000
O       -1.3357042307     0.9014747726     0.1553970441  0.00    0.0000000    0.0000000    0.0000000
O       -2.0010403235    -1.1775316703    -0.3086561864  0.00    0.0000000    0.0000000    0.0000000
C       -3.6375020625     0.5788157921    -0.2308499113  0.00    0.0000000    0.0000000    0.0000000
H       -3.9583140370     0.8724805273     0.7689049282  0.00    0.0000000    0.0000000    0.0000000
H       -3.6228544211     1.4736689990    -0.8496331976  0.00    0.0000000    0.0000000    0.0000000
H       -4.3274531788    -0.1544049977    -0.6343214674  0.00    0.0000000    0.0000000    0.0000000
O        1.1903927025    -0.1896542830     0.2745912763  0.00    0.0000000    0.0000000    0.0000000
H       -0.4524730733     0.4741915518     0.2055090722  0.00    0.0000000    0.0000000    0.0000000
C        2.4520500303     0.3664469871    -0.0446142179  0.00    0.0000000    0.0000000    0.0000000
C        2.1835143938    -0.0900905005     1.3148256817  0.00    0.0000000    0.0000000    0.0000000
H        1.9604657189     0.6228279703     2.0976064226  0.00    0.0000000    0.0000000    0.0000000
H        2.5838635580    -1.0451013908     1.6331191504  0.00    0.0000000    0.0000000    0.0000000
H        2.4383403311     1.4209911821    -0.2844044005  0.00    0.0000000    0.0000000    0.0000000
O        3.2255255479    -0.3207834063    -0.9367934408  0.00    0.0000000    0.0000000    0.0000000
H        3.3005148157    -1.2435826498    -0.6695241731  0.00    0.0000000    0.0000000    0.0000000
16
E =   147.000000000000
C       -2.2623493435    -0.0113400610    -0.1427888607  0.00    0.0000000    0.0000000    0.0000000
O       -1.3312140552     0.8953925136     0.1549258109  0.00    0.0000000    0.0000000    0.0000000
O       -2.0087520940    -1.1792570285    -0.3109324124  0.00    0.0000000    0.0000000    0.0000000
C       -3.6354378112     0.5859960767    -0.2264008575  0.00    0.0000000    0.0000000    0.0000000
H       -3.9460752711     0.8964709544     0.7713790963  0.00    0.0000000    0.0000000    0.0000000
H       -3.6192641824     1.4719132993    -0.8580289530  0.00    0.0000000    0.0000000    0.0000000
H       -4.3335442742    -0.1476128327    -0.6147378971  0.00    0.0000000    0.0000000    0.0000000
O        1.1915464367    -0.2012219615     0.2711637344  0.00    0.0000000    0.0000000    0.0000000
H       -0.4498319965     0.4636695135     0.2019746438  0.00    0.0000000    0.0000000    0.0000000
C        2.4477170518     0.3680025665    -0.0472258458  0.00    0.0000000    0.0000000    0.0000000
C        2.1801316332    -0.0835331684     1.3140024093  0.00    0.0000000    0.0000000    0.0000000
H        1.9459063405     0.6312336570     2.0918372181  0.00    0.0000000    0.0000000    0.0000000
H        2.5907697663    -1.0318314422     1.6391612527  0.00    0.0000000    0.0000000    0.0000000
H        2.4221189289     1.4208481328    -0.2935283268  0.00    0.0000000    0.0000000    0.0000000
O        3.2323192275    -0.3154091454    -0.9325417051  0.00    0.0000000    0.0000000    0.0000000
H        3.3174839143    -1.2355442648    -0.6591352715  0.00    0.0000000    0.0000000    0.0000000
16
E =   148.000000000000
C       -2.2634968379    -0.0119547654    -0.1420760817  0.00    0.0000000    0.0000000    0.0000000
O       -1.3266523016     0.8893381925     0.1541137152  0.00    0.0000000    0.0000000    0.0000000
O       -2.0167314654    -1.1810234490    -0.3122273143  0.00    0.0000000    0.0000000    0.0000000
C       -3.6332924917     0.5933310299    -0.2223423132  0.00    0.0000000    0.0000000    0.0000000
H       -3.9343394554     0.9193840598     0.7732774207  0.00    0.0000000    0.0000000    0.0000000
H       -3.6154472845     1.4707739838    -0.8657861443  0.00    0.0000000    0.0000000    0.0000000
H       -4.3391380805    -0.1400894569    -0.5966637703  0.00    0.0000000    0.0000000    0.0000000
O        1.1928632844    -0.2131630592     0.2674188545  0.00    0.0000000    0.0000000    0.0000000
H       -0.4472690234     0.4530341895     0.1983292633  0.00    0.0000000    0.0000000    0.0000000
C        2.4433491333     0.3695395460    -0.0497795692  0.00    0.0000000    0.0000000    0.0000000
C        2.1764152297    -0.0774627776     1.3129956670  0.00    0.0000000    0.0000000    0.0000000
H        1.9306751312     0.6387202495     2.0859849572  0.00    0.0000000    0.0000000    0.0000000
H        2.5973907748    -1.0188739311     1.6448531169  0.00    0.0000000    0.0000000    0.0000000
H        2.4056999923     1.4205585970    -0.3023104812  0.00    0.0000000    0.0000000    0.0000000
O        3.2393979877    -0.3094090107    -0.9282371833  0.00    0.0000000    0.0000000    0.0000000
H        3.3354170247    -1.2266452529    -0.6486295413  0.00    0.0000000    0.0000000    0.0000000
16
E =   149.000000000000
C       -2.2647487370    -0.0124693484    -0.1412396099  0.00    0.0000000    0.0000000    0.0000000
O       -1.3221017024     0.8834059744     0.1528452442  0.00    0.0000000    0.0000000    0.0000000
O       -2.0249824383    -1.1827997913    -0.3125284328  0.00    0.0000000    0.0000000    0.0000000
C       -3.6311074594     0.6007625318    -0.2186804735  0.00    0.0000000    0.0000000    0.0000000
H       -3.9231738281     0.9411035925     0.7746587529  0.00    0.0000000    0.0000000    0.0000000
H       -3.6115065810     1.4701941188    -0.8729153150  0.00    0.0000000    0.0000000    0.0000000
H       -4.3442341095    -0.1319835695    -0.5800776566  0.00    0.0000000    0.0000000    0.0000000
O        1.1945557620    -0.2255256196     0.2634428062  0.00    0.0000000    0.0000000    0.0000000
H       -0.4448751757     0.4423637952     0.1945026413  0.00    0.0000000    0.0000000    0.0000000
C        2.4389532666     0.3709934779    -0.0522596199  0.00    0.0000000    0.0000000    0.0000000
C        2.1724686738    -0.0719429926     1.3118592670  0.00    0.0000000    0.0000000    0.0000000
H        1.9149108372     0.6450951501     2.0800830694  0.00    0.0000000    0.0000000    0.0000000
H        2.6038546847    -1.0062048028     1.6502449280  0.00    0.0000000    0.0000000    0.0000000
H        2.3891205375     1.4199840688    -0.3107452015  0.00    0.0000000    0.0000000    0.0000000
O        3.2466366471    -0.3027272522    -0.9239017731  0.00    0.0000000    0.0000000    0.0000000
H        3.3541526250    -1.2166776885    -0.6379943396  0.00    0.0000000    0.0000000    0.0000000
16
E =   150.000000000000
C       -2.2659679476    -0.0129578921    -0.1403321925  0.00    0.0000000    0.0000000    0.0000000
O       -1.3173645185     0.8775306002     0.1510266566  0.00    0.0000000    0.0000000    0.0000000
O       -2.0334168422    -1.1847167861    -0.3118941193  0.00    0.0000000    0.0000000    0.0000000
C       -3.6288317596     0.6083910712    -0.2152471524  0.00    0.0000000    0.0000000    0.0000000
H       -3.9125259670     0.9616805909     0.7760000710  0.00    0.0000000    0.0000000    0.0000000
H       -3.6071617103     1.4705790755    -0.8790773369  0.00    0.0000000    0.0000000    0.0000000
H       -4.3490151587    -0.1231943326    -0.5649621634  0.00    0.0000000    0.0000000    0.0000000
O        1.1961909805    -0.2382118923     0.2592129845  0.00    0.0000000    0.0000000    0.0000000
H       -0.4423934637     0.4315775786     0.1904275563  0.00    0.0000000    0.0000000    0.0000000
C        2.4344841586     0.3725015783    -0.0546077256  0.00    0.0000000    0.0000000    0.0000000
C        2.1682173901    -0.0669216130     1.3106129383  0.00    0.0000000    0.0000000    0.0000000
H        1.8985216245     0.6506564290     2.0742941508  0.00    0.0000000    0.0000000    0.0000000
H        2.6101104548    -0.9940337147     1.6552545863  0.00    0.0000000    0.0000000    0.0000000
H        2.3722681636     1.4195381328    -0.3186662221  0.00    0.0000000    0.0000000    0.0000000
O        3.2541321887    -0.2954610804    -0.9195521935  0.00    0.0000000    0.0000000    0.0000000
H        3.3735202048    -1.2060893847    -0.6275093337  0.00    0.0000000    0.0000000    0.0000000
16
E =   151.000000000000
C       -2.2669979977    -0.0133760876    -0.1393936678  0.00    0.0000000    0.0000000    0.0000000
O       -1.3124423350     0.8717866204     0.1486992132  0.00    0.0000000    0.0000000    0.0000000
O       -2.0416630736    -1.1866039506    -0.3105729209  0.00    0.0000000    0.0000000    0.0000000
C       -3.6263030794     0.6159656051    -0.2119835334  0.00    0.0000000    0.0000000    0.0000000
H       -3.9020376773     0.9810101913     0.7771535662  0.00    0.0000000    0.0000000    0.0000000
H       -3.6025860751     1.4714336433    -0.8844500391  0.00    0.0000000    0.0000000    0.0000000
H       -4.3531583687    -0.1140148925    -0.5509794831  0.00    0.0000000    0.0000000    0.0000000
O        1.1978476117    -0.2509337822     0.2549968538  0.00    0.0000000    0.0000000    0.0000000
H       -0.4398402260     0.4208565590     0.1860958978  0.00    0.0000000    0.0000000    0.0000000
C        2.4298158734     0.3738690501    -0.0568598171  0.00    0.0000000    0.0000000    0.0000000
C        2.1636145735    -0.0624183507     1.3093041607  0.00    0.0000000    0.0000000    0.0000000
H        1.8819328229     0.6552648739     2.0685495504  0.00    0.0000000    0.0000000    0.0000000
H        2.6157610822    -0.9822561657     1.6600029114  0.00    0.0000000    0.0000000    0.0000000
H        2.3553107676     1.4187588338    -0.3262001396  0.00    0.0000000    0.0000000    0.0000000
O        3.2612824212    -0.2877711435    -0.9152917882  0.00    0.0000000    0.0000000    0.0000000
H        3.3935285280    -1.1945644160    -0.6167827322  0.00    0.0000000    0.0000000    0.0000000
16
E =   152.000000000000
C       -2.2676277709    -0.0137059951    -0.1384419533  0.00    0.0000000    0.0000000    0.0000000
O       -1.3073460408     0.8663863641     0.1460999009  0.00    0.0000000    0.0000000    0.0000000
O       -2.0492243263    -1.1883436597    -0.3088901827  0.00    0.0000000    0.0000000    0.0000000
C       -3.6234595100     0.6233111370    -0.2087880295  0.00    0.0000000    0.0000000    0.0000000
H       -3.8914134755     0.9994599098     0.7782641457  0.00    0.0000000    0.0000000    0.0000000
H       -3.5979049019     1.4723328962    -0.8893715901  0.00    0.0000000    0.0000000    0.0000000
H       -4.3567257235    -0.1049468295    -0.5374762025  0.00    0.0000000    0.0000000    0.0000000
O        1.1992415151    -0.2638102048     0.2508603559  0.00    0.0000000    0.0000000    0.0000000
H       -0.4371049459     0.4105601345     0.1816459831  0.00    0.0000000    0.0000000    0.0000000
C        2.4247281827     0.3750637791    -0.0590995072  0.00    0.0000000    0.0000000    0.0000000
C        2.1585806736    -0.0582375256     1.3079382574  0.00    0.0000000    0.0000000    0.0000000
H        1.8650089913     0.6593329135     2.0627794459  0.00    0.0000000    0.0000000    0.0000000
H        2.6209060973    -0.9706736598     1.6646167112  0.00    0.0000000    0.0000000    0.0000000
H        2.3378967479     1.4176540403    -0.3336416594  0.00    0.0000000    0.0000000    0.0000000
O        3.2679410420    -0.2798838928    -0.9111213287  0.00    0.0000000    0.0000000    0.0000000
H        3.4137845489    -1.1823548980    -0.6058713216  0.00    0.0000000    0.0000000    0.0000000
16
E =   153.000000000000
C       -2.2677457700    -0.0139321975    -0.1374984571  0.00    0.0000000    0.0000000    0.0000000
O       -1.3020420058     0.8613024819     0.1434476883  0.00    0.0000000    0.0000000    0.0000000
O       -2.0559242814    -1.1898559310    -0.3072129099  0.00    0.0000000    0.0000000    0.0000000
C       -3.6202483459     0.6303188544    -0.2055835981  0.00    0.0000000    0.0000000    0.0000000
H       -3.8806235844     1.0169221463     0.7793760065  0.00    0.0000000    0.0000000    0.0000000
H       -3.5931780727     1.4731415779    -0.8938456874  0.00    0.0000000    0.0000000    0.0000000
H       -4.3595441919    -0.0961918598    -0.5243520878  0.00    0.0000000    0.0000000    0.0000000
O        1.2003814957    -0.2766697972     0.2469656716  0.00    0.0000000    0.0000000    0.0000000
H       -0.4341691783     0.4006877176     0.1772023804  0.00    0.0000000    0.0000000    0.0000000
C        2.4191654769     0.3760008834    -0.0614322411  0.00    0.0000000    0.0000000    0.0000000
C        2.1531446806    -0.0541829947     1.3065282015  0.00    0.0000000    0.0000000    0.0000000
H        1.8479212640     0.6631154699     2.0568835336  0.00    0.0000000    0.0000000    0.0000000
H        2.6254509569    -0.9589707916     1.6693127482  0.00    0.0000000    0.0000000    0.0000000
H        2.3199988782     1.4159859467    -0.3413192543  0.00    0.0000000    0.0000000    0.0000000
O        3.2737743281    -0.2720374608    -0.9070558838  0.00    0.0000000    0.0000000    0.0000000
H        3.4342630282    -1.1693366914    -0.5943747539  0.00    0.0000000    0.0000000    0.0000000
16
E =   154.000000000000
C       -2.2677060758    -0.0141825379    -0.1365335736  0.00    0.0000000    0.0000000    0.0000000
O       -1.2965299194     0.8561867722     0.1406658422  0.00    0.0000000    0.0000000    0.0000000
O       -2.0624886127    -1.1914123207    -0.3055541574  0.00    0.0000000    0.0000000    0.0000000
C       -3.6168617324     0.6373607594    -0.2020653015  0.00    0.0000000    0.0000000    0.0000000
H       -3.8694131813     1.0342363987     0.7808570403  0.00    0.0000000    0.0000000    0.0000000
H       -3.5883991713     1.4740470971    -0.8978141723  0.00    0.0000000    0.0000000    0.0000000
H       -4.3622760030    -0.0872654336    -0.5108849961  0.00    0.0000000    0.0000000    0.0000000
O        1.2013640777    -0.2895804101     0.2427839008  0.00    0.0000000    0.0000000    0.0000000
H       -0.4310024211     0.3907468487     0.1725101308  0.00    0.0000000    0.0000000    0.0000000
C        2.4134729553     0.3769870342    -0.0637831145  0.00    0.0000000    0.0000000    0.0000000
C        2.1472127826    -0.0500086605     1.3050502954  0.00    0.0000000    0.0000000    0.0000000
H        1.8299413024     0.6670370321     2.0507793529  0.00    0.0000000    0.0000000    0.0000000
H        2.6294171923    -0.9470760205     1.6741088872  0.00    0.0000000    0.0000000    0.0000000
H        2.3020069118     1.4143261098    -0.3490919260  0.00    0.0000000    0.0000000    0.0000000
O        3.2797796764    -0.2641957658    -0.9027595455  0.00    0.0000000    0.0000000    0.0000000
H        3.4533145770    -1.1567507144    -0.5833706203  0.00    0.0000000    0.0000000    0.0000000
16
E =   155.000000000000
C       -2.2675261200    -0.0145711158    -0.1355519393  0.00    0.0000000    0.0000000    0.0000000
O       -1.2907824709     0.8507612520     0.1376403523  0.00    0.0000000    0.0000000    0.0000000
O       -2.0690793176    -1.1930392378    -0.3041382176  0.00    0.0000000    0.0000000    0.0000000
C       -3.6132067445     0.6444354824    -0.1979298392  0.00    0.0000000    0.0000000    0.0000000
H       -3.8572503438     1.0516710443     0.7828596739  0.00    0.0000000    0.0000000    0.0000000
H       -3.5836600379     1.4748275213    -0.9012175651  0.00    0.0000000    0.0000000    0.0000000
H       -4.3649408964    -0.0780172328    -0.4963116915  0.00    0.0000000    0.0000000    0.0000000
O        1.2023730893    -0.3018819019     0.2382150060  0.00    0.0000000    0.0000000    0.0000000
H       -0.4276453825     0.3804933693     0.1672065770  0.00    0.0000000    0.0000000    0.0000000
C        2.4079140998     0.3779476942    -0.0661199568  0.00    0.0000000    0.0000000    0.0000000
C        2.1406033509    -0.0457121957     1.3034798045  0.00    0.0000000    0.0000000    0.0000000
H        1.8112292853     0.6709534926     2.0443469853  0.00    0.0000000    0.0000000    0.0000000
H        2.6319869696    -0.9350306549     1.6790624168  0.00    0.0000000    0.0000000    0.0000000
H        2.2848307341     1.4124055692    -0.3569760260  0.00    0.0000000    0.0000000    0.0000000
O        3.2858088955    -0.2565327861    -0.8980545576  0.00    0.0000000    0.0000000    0.0000000
H        3.4700046276    -1.1447441137    -0.5729035984  0.00    0.0000000    0.0000000    0.0000000
16
E =   156.000000000000
C       -2.2672126819    -0.0150100184    -0.1346379712  0.00    0.0000000    0.0000000    0.0000000
O       -1.2849652836     0.8453162786     0.1343645026  0.00    0.0000000    0.0000000    0.0000000
O       -2.0754778916    -1.1946275969    -0.3030989906  0.00    0.0000000    0.0000000    0.0000000
C       -3.6094381609     0.6513230260    -0.1932595286  0.00    0.0000000    0.0000000    0.0000000
H       -3.8444895193     1.0687256426     0.7853991779  0.00    0.0000000    0.0000000    0.0000000
H       -3.5793283676     1.4753975912    -0.9039743811  0.00    0.0000000    0.0000000    0.0000000
H       -4.3674997213    -0.0688574592    -0.4808820900  0.00    0.0000000    0.0000000    0.0000000
O        1.2033250897    -0.3136032452     0.2336548222  0.00    0.0000000    0.0000000    0.0000000
H       -0.4241890587     0.3703371830     0.1614339805  0.00    0.0000000    0.0000000    0.0000000
C        2.4024940425     0.3788252240    -0.0684142788  0.00    0.0000000    0.0000000    0.0000000
C        2.1337130515    -0.0413679093     1.3019055219  0.00    0.0000000    0.0000000    0.0000000
H        1.7925229258     0.6748935370     2.0377982997  0.00    0.0000000    0.0000000    0.0000000
H        2.6336115155    -0.9230607310     1.6841075827  0.00    0.0000000    0.0000000    0.0000000
H        2.2683868842     1.4103012344    -0.3648845833  0.00    0.0000000    0.0000000    0.0000000
O        3.2915525366    -0.2492023203    -0.8932385335  0.00    0.0000000    0.0000000    0.0000000
H        3.4865360459    -1.1329035134    -0.5619336505  0.00    0.0000000    0.0000000    0.0000000
16
E =   157.000000000000
C       -2.2670622099    -0.0154812397    -0.1337310756  0.00    0.0000000    0.0000000    0.0000000
O       -1.2791844874     0.8397303328     0.1306912310  0.00    0.0000000    0.0000000    0.0000000
O       -2.0822085630    -1.1961987875    -0.3021442168  0.00    0.0000000    0.0000000    0.0000000
C       -3.6057522249     0.6581862155    -0.1880601911  0.00    0.0000000    0.0000000    0.0000000
H       -3.8314403038     1.0854599411     0.7884640925  0.00    0.0000000    0.0000000    0.0000000
H       -3.5755157571     1.4760236086    -0.9060434301  0.00    0.0000000    0.0000000    0.0000000
H       -4.3700965923    -0.0595809254    -0.4647248047  0.00    0.0000000    0.0000000    0.0000000
O        1.2046679142    -0.3250824170     0.2287520600  0.00    0.0000000    0.0000000    0.0000000
H       -0.4208534890     0.3600143087     0.1549866761  0.00    0.0000000    0.0000000    0.0000000
C        2.3973773353     0.3796515401    -0.0706897380  0.00    0.0000000    0.0000000    0.0000000
C        2.1265496512    -0.0369748146     1.3002807635  0.00    0.0000000    0.0000000    0.0000000
H        1.7733426163     0.6787617257     2.0308908513  0.00    0.0000000    0.0000000    0.0000000
H        2.6344824376    -0.9109384959     1.6894216188  0.00    0.0000000    0.0000000    0.0000000
H        2.2526755106     1.4079702478    -0.3729443686  0.00    0.0000000    0.0000000    0.0000000
O        3.2976080130    -0.2418850315    -0.8879960941  0.00    0.0000000    0.0000000    0.0000000
H        3.5012139165    -1.1215681886    -0.5515134826  0.00    0.0000000    0.0000000    0.0000000
16
E =   158.000000000000
C       -2.2668834939    -0.0159974193    -0.1328844201  0.00    0.0000000    0.0000000    0.0000000
O       -1.2733894477     0.8341874294     0.1265407444  0.00    0.0000000    0.0000000    0.0000000
O       -2.0888881110    -1.1978334087    -0.3011796896  0.00    0.0000000    0.0000000    0.0000000
C       -3.6021029703     0.6649683062    -0.1824440135  0.00    0.0000000    0.0000000    0.0000000
H       -3.8181285018     1.1017097944     0.7920925707  0.00    0.0000000    0.0000000    0.0000000
H       -3.5720062307     1.4767479542    -0.9073501358  0.00    0.0000000    0.0000000    0.0000000
H       -4.3727417017    -0.0502805982    -0.4481375319  0.00    0.0000000    0.0000000    0.0000000
O        1.2058652318    -0.3361143165     0.2237457710  0.00    0.0000000    0.0000000    0.0000000
H       -0.4174274893     0.3498061792     0.1480442786  0.00    0.0000000    0.0000000    0.0000000
C        2.3924785647     0.3805066076    -0.0728081785  0.00    0.0000000    0.0000000    0.0000000
C        2.1191807129    -0.0327634285     1.2986625008  0.00    0.0000000    0.0000000    0.0000000
H        1.7541401215     0.6824212888     2.0241172587  0.00    0.0000000    0.0000000    0.0000000
H        2.6346893413    -0.8992938099     1.6945547935  0.00    0.0000000    0.0000000    0.0000000
H        2.2376922869     1.4057801458    -0.3805533389  0.00    0.0000000    0.0000000    0.0000000
O        3.3037360276    -0.2347239328    -0.8826868968  0.00    0.0000000    0.0000000    0.0000000
H        3.5159216104    -1.1104120595    -0.5409518181  0.00    0.0000000    0.0000000    0.0000000
16
E =   159.000000000000
C       -2.2667009548    -0.0165375482    -0.1320731138  0.00    0.0000000    0.0000000    0.0000000
O       -1.2675656353     0.8286338916     0.1217716422  0.00    0.0000000    0.0000000    0.0000000
O       -2.0956551556    -1.1994794211    -0.2999140087  0.00    0.0000000    0.0000000    0.0000000
C       -3.5983810474     0.6716509814    -0.1766177563  0.00    0.0000000    0.0000000    0.0000000
H       -3.8048038018     1.1169721944     0.7960547185  0.00    0.0000000    0.0000000    0.0000000
H       -3.5686592177     1.4778518233    -0.9077732106  0.00    0.0000000    0.0000000    0.0000000
H       -4.3750682978    -0.0408150155    -0.4318297742  0.00    0.0000000    0.0000000    0.0000000
O        1.2071472991    -0.3466597662     0.2186943923  0.00    0.0000000    0.0000000    0.0000000
H       -0.4140315218     0.3396436925     0.1405938828  0.00    0.0000000    0.0000000    0.0000000
C        2.3878175858     0.3813208352    -0.0747458670  0.00    0.0000000    0.0000000    0.0000000
C        2.1116656309    -0.0289557162     1.2970199135  0.00    0.0000000    0.0000000    0.0000000
H        1.7351213280     0.6853718336     2.0174361438  0.00    0.0000000    0.0000000    0.0000000
H        2.6341346997    -0.8882837526     1.6994088474  0.00    0.0000000    0.0000000    0.0000000
H        2.2235083168     1.4035316398    -0.3876921843  0.00    0.0000000    0.0000000    0.0000000
O        3.3097194250    -0.2274955027    -0.8773043816  0.00    0.0000000    0.0000000    0.0000000
H        3.5301479104    -1.0991307114    -0.5304584147  0.00    0.0000000    0.0000000    0.0000000
16
E =   160.000000000000
C       -2.2665253458    -0.0170164367    -0.1312969731  0.00    0.0000000    0.0000000    0.0000000
O       -1.2618665138     0.8233253536     0.1164793225  0.00    0.0000000    0.0000000    0.0000000
O       -2.1023159648    -1.2010849594    -0.2981274272  0.00    0.0000000    0.0000000    0.0000000
C       -3.5947064871     0.6781666957    -0.1709038664  0.00    0.0000000    0.0000000    0.0000000
H       -3.7918405329     1.1312787736     0.8000255224  0.00    0.0000000    0.0000000    0.0000000
H       -3.5654561680     1.4792330207    -0.9077169951  0.00    0.0000000    0.0000000    0.0000000
H       -4.3771192806    -0.0314532060    -0.4162404804  0.00    0.0000000    0.0000000    0.0000000
O        1.2084891846    -0.3569941087     0.2137028593  0.00    0.0000000    0.0000000    0.0000000
H       -0.4107651533     0.3298041595     0.1329193809  0.00    0.0000000    0.0000000    0.0000000
C        2.3832809767     0.3820776954    -0.0764964933  0.00    0.0000000    0.0000000    0.0000000
C        2.1042229034    -0.0257444963     1.2953843954  0.00    0.0000000    0.0000000    0.0000000
H        1.7165084806     0.6874203277     2.0110463768  0.00    0.0000000    0.0000000    0.0000000
H        2.6333506668    -0.8780788993     1.7038589650  0.00    0.0000000    0.0000000    0.0000000
H        2.2097952225     1.4012942030    -0.3942484023  0.00    0.0000000    0.0000000    0.0000000
O        3.3155213990    -0.2200846651    -0.8720148273  0.00    0.0000000    0.0000000    0.0000000
H        3.5446121667    -1.0874204790    -0.5199732716  0.00    0.0000000    0.0000000    0.0000000
16
E =   161.000000000000
C       -2.2663516086    -0.0174156477    -0.1305446906  0.00    0.0000000    0.0000000    0.0000000
O       -1.2563322054     0.8183211789     0.1107496424  0.00    0.0000000    0.0000000    0.0000000
O       -2.1088594397    -1.2026331508    -0.2956297667  0.00    0.0000000    0.0000000    0.0000000
C       -3.5910523133     0.6845247016    -0.1656596616  0.00    0.0000000    0.0000000    0.0000000
H       -3.7796586763     1.1443697208     0.8037694963  0.00    0.0000000    0.0000000    0.0000000
H       -3.5620666760     1.4811745906    -0.9073619661  0.00    0.0000000    0.0000000    0.0000000
H       -4.3787286350    -0.0222291466    -0.4021764404  0.00    0.0000000    0.0000000    0.0000000
O        1.2100435150    -0.3672103338     0.2089166723  0.00    0.0000000    0.0000000    0.0000000
H       -0.4077214586     0.3203302937     0.1252593721  0.00    0.0000000    0.0000000    0.0000000
C        2.3787734174     0.3827376084    -0.0780564187  0.00    0.0000000    0.0000000    0.0000000
C        2.0970882623    -0.0232755204     1.2937948119  0.00    0.0000000    0.0000000    0.0000000
H        1.6986685383     0.6882833761     2.0050497336  0.00    0.0000000    0.0000000    0.0000000
H        2.6326449357    -0.8688162070     1.7079240559  0.00    0.0000000    0.0000000    0.0000000
H        2.1962667536     1.3989801390    -0.4002076938  0.00    0.0000000    0.0000000    0.0000000
O        3.3208733628    -0.2123460346    -0.8669490634  0.00    0.0000000    0.0000000    0.0000000
H        3.5591891025    -1.0749686219    -0.5096451002  0.00    0.0000000    0.0000000    0.0000000
16
E =   162.000000000000
C       -2.2662641355    -0.0178191940    -0.1297562228  0.00    0.0000000    0.0000000    0.0000000
O       -1.2510974658     0.8136538868     0.1046484375  0.00    0.0000000    0.0000000    0.0000000
O       -2.1151905475    -1.2042339211    -0.2926062118  0.00    0.0000000    0.0000000    0.0000000
C       -3.5876767530     0.6905319882    -0.1605160737  0.00    0.0000000    0.0000000    0.0000000
H       -3.7682103604     1.1563895804     0.8076250776  0.00    0.0000000    0.0000000    0.0000000
H       -3.5589500503     1.4832111130    -0.9065112098  0.00    0.0000000    0.0000000    0.0000000
H       -4.3803289109    -0.0133869265    -0.3889222640  0.00    0.0000000    0.0000000    0.0000000
O        1.2113834081    -0.3764704931     0.2038034126  0.00    0.0000000    0.0000000    0.0000000
H       -0.4048163725     0.3114655165     0.1174040238  0.00    0.0000000    0.0000000    0.0000000
C        2.3748538234     0.3834716014    -0.0792683587  0.00    0.0000000    0.0000000    0.0000000
C        2.0899859531    -0.0215303598     1.2922011004  0.00    0.0000000    0.0000000    0.0000000
H        1.6814191389     0.6882313246     1.9995824023  0.00    0.0000000    0.0000000    0.0000000
H        2.6311373121    -0.8610856888     1.7112654452  0.00    0.0000000    0.0000000    0.0000000
H        2.1843461832     1.3971466587    -0.4050036293  0.00    0.0000000    0.0000000    0.0000000
O        3.3263817968    -0.2048682781    -0.8619080070  0.00    0.0000000    0.0000000    0.0000000
H        3.5727661444    -1.0633759189    -0.5000841161  0.00    0.0000000    0.0000000    0.0000000
16
E =   163.000000000000
C       -2.2662909228    -0.0181680644    -0.1289174020  0.00    0.0000000    0.0000000    0.0000000
O       -1.2466376687     0.8097069237     0.0984845883  0.00    0.0000000    0.0000000    0.0000000
O       -2.1207824793    -1.2055748628    -0.2895650919  0.00    0.0000000    0.0000000    0.0000000
C       -3.5848700663     0.6955878028    -0.1551862376  0.00    0.0000000    0.0000000    0.0000000
H       -3.7575415117     1.1671870633     0.8115925009  0.00    0.0000000    0.0000000    0.0000000
H       -3.5571579518     1.4842982010    -0.9054165264  0.00    0.0000000    0.0000000    0.0000000
H       -4.3818932256    -0.0060082520    -0.3754191290  0.00    0.0000000    0.0000000    0.0000000
O        1.2126057443    -0.3841492696     0.1982545986  0.00    0.0000000    0.0000000    0.0000000
H       -0.4023443220     0.3039885793     0.1093277977  0.00    0.0000000    0.0000000    0.0000000
C        2.3718836889     0.3840942680    -0.0801944837  0.00    0.0000000    0.0000000    0.0000000
C        2.0828512077    -0.0204420756     1.2904820290  0.00    0.0000000    0.0000000    0.0000000
H        1.6651263934     0.6875072589     1.9943598233  0.00    0.0000000    0.0000000    0.0000000
H        2.6281174028    -0.8550309495     1.7139943999  0.00    0.0000000    0.0000000    0.0000000
H        2.1751812563     1.3955966110    -0.4088974560  0.00    0.0000000    0.0000000    0.0000000
O        3.3320042420    -0.1983286878    -0.8567079708  0.00    0.0000000    0.0000000    0.0000000
H        3.5844812124    -1.0533994790    -0.4910670419  0.00    0.0000000    0.0000000    0.0000000
16
E =   164.000000000000
C       -2.2663305934    -0.0184089094    -0.1280963660  0.00    0.0000000    0.0000000    0.0000000
O       -1.2429826719     0.8066389007     0.0926423982  0.00    0.0000000    0.0000000    0.0000000
O       -2.1253507787    -1.2065950887    -0.2867677451  0.00    0.0000000    0.0000000    0.0000000
C       -3.5826675410     0.6996144376    -0.1499843854  0.00    0.0000000    0.0000000    0.0000000
H       -3.7477999586     1.1771543828     0.8151911499  0.00    0.0000000    0.0000000    0.0000000
H       -3.5567535023     1.4840970798    -0.9047593014  0.00    0.0000000    0.0000000    0.0000000
H       -4.3834027049    -0.0003852326    -0.3617448675  0.00    0.0000000    0.0000000    0.0000000
O        1.2136037781    -0.3904758287     0.1927584470  0.00    0.0000000    0.0000000    0.0000000
H       -0.4003073017     0.2980923470     0.1015583257  0.00    0.0000000    0.0000000    0.0000000
C        2.3696236305     0.3845839780    -0.0809041403  0.00    0.0000000    0.0000000    0.0000000
C        2.0761295657    -0.0198837898     1.2888020875  0.00    0.0000000    0.0000000    0.0000000
H        1.6503965195     0.6863874322     1.9895662299  0.00    0.0000000    0.0000000    0.0000000
H        2.6243916225    -0.8504646303     1.7161858522  0.00    0.0000000    0.0000000    0.0000000
H        2.1681304962     1.3943097007    -0.4120347775  0.00    0.0000000    0.0000000    0.0000000
O        3.3373215501    -0.1928155480    -0.8517083375  0.00    0.0000000    0.0000000    0.0000000
H        3.5948194931    -1.0448458816    -0.4825695135  0.00    0.0000000    0.0000000    0.0000000
16
E =   165.000000000000
C       -2.2663483651    -0.0185561832    -0.1271929912  0.00    0.0000000    0.0000000    0.0000000
O       -1.2399074577     0.8044010813     0.0867860210  0.00    0.0000000    0.0000000    0.0000000
O       -2.1291610087    -1.2075694040    -0.2833967635  0.00    0.0000000    0.0000000    0.0000000
C       -3.5807752802     0.7029925210    -0.1454194126  0.00    0.0000000    0.0000000    0.0000000
H       -3.7382191710     1.1882486876     0.8171477229  0.00    0.0000000    0.0000000    0.0000000
H       -3.5575507849     1.4818184203    -0.9062578254  0.00    0.0000000    0.0000000    0.0000000
H       -4.3847642561     0.0037870699    -0.3470269658  0.00    0.0000000    0.0000000    0.0000000
O        1.2145321652    -0.3958236022     0.1871390544  0.00    0.0000000    0.0000000    0.0000000
H       -0.3986276457     0.2934748414     0.0939747738  0.00    0.0000000    0.0000000    0.0000000
C        2.3678626559     0.3850836206    -0.0811868597  0.00    0.0000000    0.0000000    0.0000000
C        2.0697836345    -0.0205137429     1.2872390982  0.00    0.0000000    0.0000000    0.0000000
H        1.6370176806     0.6837788572     1.9856037462  0.00    0.0000000    0.0000000    0.0000000
H        2.6201171499    -0.8481322144     1.7176870950  0.00    0.0000000    0.0000000    0.0000000
H        2.1627543612     1.3936435989    -0.4137760107  0.00    0.0000000    0.0000000    0.0000000
O        3.3421707219    -0.1875136537    -0.8469778992  0.00    0.0000000    0.0000000    0.0000000
H        3.6029712173    -1.0375042327    -0.4755648254  0.00    0.0000000    0.0000000    0.0000000
16
E =   166.000000000000
C       -2.2662632176    -0.0186416204    -0.1263040367  0.00    0.0000000    0.0000000    0.0000000
O       -1.2373090355     0.8027818757     0.0815666968  0.00    0.0000000    0.0000000    0.0000000
O       -2.1321266992    -1.2084311269    -0.2794380384  0.00    0.0000000    0.0000000    0.0000000
C       -3.5791487937     0.7057638693    -0.1424796918  0.00    0.0000000    0.0000000    0.0000000
H       -3.7301016369     1.1991765719     0.8170862710  0.00    0.0000000    0.0000000    0.0000000
H       -3.5582009619     1.4785172120    -0.9097251864  0.00    0.0000000    0.0000000    0.0000000
H       -4.3858961361     0.0068743647    -0.3343643341  0.00    0.0000000    0.0000000    0.0000000
O        1.2150569537    -0.4000549472     0.1823297256  0.00    0.0000000    0.0000000    0.0000000
H       -0.3971217856     0.2899586785     0.0877287018  0.00    0.0000000    0.0000000    0.0000000
C        2.3663983932     0.3856041580    -0.0809304305  0.00    0.0000000    0.0000000    0.0000000
C        2.0646681448    -0.0222490421     1.2859737543  0.00    0.0000000    0.0000000    0.0000000
H        1.6263822437     0.6797748344     1.9831990896  0.00    0.0000000    0.0000000    0.0000000
H        2.6166270928    -0.8480199244     1.7178553758  0.00    0.0000000    0.0000000    0.0000000
H        2.1585021806     1.3935682025    -0.4135458328  0.00    0.0000000    0.0000000    0.0000000
O        3.3459357104    -0.1824998076    -0.8433637370  0.00    0.0000000    0.0000000    0.0000000
H        3.6092530543    -1.0313054947    -0.4710656160  0.00    0.0000000    0.0000000    0.0000000
