18
E =    61.000000000000
C       -1.7991535450     0.2306955700    -0.0952296252  0.00    0.0000000    0.0000000    0.0000000
O       -0.9884925292     1.1186597796    -0.1402197367  0.00    0.0000000    0.0000000    0.0000000
O       -1.4529535083    -1.0254043305     0.2383631695  0.00    0.0000000    0.0000000    0.0000000
C       -3.2619413261     0.3342873243    -0.3807032690  0.00    0.0000000    0.0000000    0.0000000
H       -3.6946841463     1.0535917751     0.3122038598  0.00    0.0000000    0.0000000    0.0000000
H       -3.3864983631     0.7172880444    -1.3916933144  0.00    0.0000000    0.0000000    0.0000000
H       -3.7582244122    -0.6253637163    -0.2800834139  0.00    0.0000000    0.0000000    0.0000000
O       -0.0768704138    -1.1487201801     0.5148499621  0.00    0.0000000    0.0000000    0.0000000
H        0.2720240052    -0.2404683615     0.3839375443  0.00    0.0000000    0.0000000    0.0000000
C        2.4911852510     0.5961070352    -0.2761864326  0.00    0.0000000    0.0000000    0.0000000
C        2.3732807011     0.7713133601     1.0345581825  0.00    0.0000000    0.0000000    0.0000000
H        1.9491889761     1.6771409550     1.4476157655  0.00    0.0000000    0.0000000    0.0000000
H        2.6999523526     0.0101496047     1.7344346411  0.00    0.0000000    0.0000000    0.0000000
H        2.1502285015     1.3835523734    -0.9421563656  0.00    0.0000000    0.0000000    0.0000000
C        3.0602948823    -0.6242427226    -0.9267844973  0.00    0.0000000    0.0000000    0.0000000
H        3.3566139533    -1.3649634768    -0.1850000149  0.00    0.0000000    0.0000000    0.0000000
H        2.3302040386    -1.0780492821    -1.5995166039  0.00    0.0000000    0.0000000    0.0000000
H        3.9316618320    -0.3672546696    -1.5319320369  0.00    0.0000000    0.0000000    0.0000000
18
E =    60.000000000000
C       -1.8002697384     0.2308533070    -0.0948606365  0.00    0.0000000    0.0000000    0.0000000
O       -0.9902138305     1.1193450181    -0.1403546357  0.00    0.0000000    0.0000000    0.0000000
O       -1.4528242846    -1.0253846280     0.2371936718  0.00    0.0000000    0.0000000    0.0000000
C       -3.2636479580     0.3339411503    -0.3775092862  0.00    0.0000000    0.0000000    0.0000000
H       -3.6965218819     1.0470731929     0.3215936118  0.00    0.0000000    0.0000000    0.0000000
H       -3.3905458463     0.7244234497    -1.3852441359  0.00    0.0000000    0.0000000    0.0000000
H       -3.7581357680    -0.6272522623    -0.2831152489  0.00    0.0000000    0.0000000    0.0000000
O       -0.0763771734    -1.1480709063     0.5122188682  0.00    0.0000000    0.0000000    0.0000000
H        0.2719098778    -0.2395841345     0.3809342383  0.00    0.0000000    0.0000000    0.0000000
C        2.4942592651     0.5959067992    -0.2769059696  0.00    0.0000000    0.0000000    0.0000000
C        2.3713816058     0.7723519282     1.0332221711  0.00    0.0000000    0.0000000    0.0000000
H        1.9478949987     1.6795479214     1.4439298521  0.00    0.0000000    0.0000000    0.0000000
H        2.6931806584     0.0108278749     1.7349410153  0.00    0.0000000    0.0000000    0.0000000
H        2.1582210028     1.3838158784    -0.9448126087  0.00    0.0000000    0.0000000    0.0000000
C        3.0631627538    -0.6263072946    -0.9242397756  0.00    0.0000000    0.0000000    0.0000000
H        3.3527984740    -1.3678655725    -0.1807566731  0.00    0.0000000    0.0000000    0.0000000
H        2.3357338986    -1.0778818989    -1.6012243652  0.00    0.0000000    0.0000000    0.0000000
H        3.9388363615    -0.3721197366    -1.5242518496  0.00    0.0000000    0.0000000    0.0000000
18
E =    59.000000000000
C       -1.8018012282     0.2311660325    -0.0935979639  0.00    0.0000000    0.0000000    0.0000000
O       -0.9933843021     1.1212088508    -0.1378545254  0.00    0.0000000    0.0000000    0.0000000
O       -1.4514176185    -1.0255324777     0.2332788784  0.00    0.0000000    0.0000000    0.0000000
C       -3.2660453460     0.3326497630    -0.3723735605  0.00    0.0000000    0.0000000    0.0000000
H       -3.6987971807     1.0414863128     0.3312713608  0.00    0.0000000    0.0000000    0.0000000
H       -3.3960562636     0.7278615443    -1.3779113676  0.00    0.0000000    0.0000000    0.0000000
H       -3.7583448907    -0.6300224718    -0.2814857733  0.00    0.0000000    0.0000000    0.0000000
O       -0.0741408234    -1.1467074981     0.5047292595  0.00    0.0000000    0.0000000    0.0000000
H        0.2721906358    -0.2371418244     0.3763219337  0.00    0.0000000    0.0000000    0.0000000
C        2.4980997057     0.5951344127    -0.2777807466  0.00    0.0000000    0.0000000    0.0000000
C        2.3697338750     0.7766506630     1.0311132887  0.00    0.0000000    0.0000000    0.0000000
H        1.9484716213     1.6871841655     1.4366850618  0.00    0.0000000    0.0000000    0.0000000
H        2.6846046590     0.0159687106     1.7369505293  0.00    0.0000000    0.0000000    0.0000000
H        2.1690814149     1.3823985835    -0.9500133637  0.00    0.0000000    0.0000000    0.0000000
C        3.0644881993    -0.6319569127    -0.9181010884  0.00    0.0000000    0.0000000    0.0000000
H        3.3464463781    -1.3725622870    -0.1706214498  0.00    0.0000000    0.0000000    0.0000000
H        2.3384410379    -1.0821391070    -1.5975268256  0.00    0.0000000    0.0000000    0.0000000
H        3.9447276966    -0.3839663301    -1.5141746389  0.00    0.0000000    0.0000000    0.0000000
18
E =    58.000000000000
C       -1.8033743866     0.2313194266    -0.0928460208  0.00    0.0000000    0.0000000    0.0000000
O       -0.9969261627     1.1231409727    -0.1372577538  0.00    0.0000000    0.0000000    0.0000000
O       -1.4493700319    -1.0256160524     0.2294012504  0.00    0.0000000    0.0000000    0.0000000
C       -3.2688451011     0.3306595739    -0.3659508222  0.00    0.0000000    0.0000000    0.0000000
H       -3.7014098243     1.0312917691     0.3458977779  0.00    0.0000000    0.0000000    0.0000000
H       -3.4036330505     0.7349602576    -1.3671201173  0.00    0.0000000    0.0000000    0.0000000
H       -3.7578179058    -0.6343235254    -0.2822173932  0.00    0.0000000    0.0000000    0.0000000
O       -0.0710848051    -1.1446134091     0.4967096256  0.00    0.0000000    0.0000000    0.0000000
H        0.2728376329    -0.2338391056     0.3700394318  0.00    0.0000000    0.0000000    0.0000000
C        2.5034397407     0.5951146675    -0.2778772689  0.00    0.0000000    0.0000000    0.0000000
C        2.3683128353     0.7808415475     1.0297205100  0.00    0.0000000    0.0000000    0.0000000
H        1.9521775039     1.6958616792     1.4305079470  0.00    0.0000000    0.0000000    0.0000000
H        2.6722579501     0.0191671476     1.7393065030  0.00    0.0000000    0.0000000    0.0000000
H        2.1855135262     1.3836244518    -0.9540104371  0.00    0.0000000    0.0000000    0.0000000
C        3.0635705878    -0.6382934684    -0.9116716217  0.00    0.0000000    0.0000000    0.0000000
H        3.3329487618    -1.3800771164    -0.1607394946  0.00    0.0000000    0.0000000    0.0000000
H        2.3387872465    -1.0831186936    -1.5959099054  0.00    0.0000000    0.0000000    0.0000000
H        3.9506563960    -0.3993717789    -1.5012435981  0.00    0.0000000    0.0000000    0.0000000
18
E =    57.000000000000
C       -1.8046710021     0.2314334016    -0.0917818588  0.00    0.0000000    0.0000000    0.0000000
O       -1.0008070352     1.1255939572    -0.1357572402  0.00    0.0000000    0.0000000    0.0000000
O       -1.4460172108    -1.0257696189     0.2240203460  0.00    0.0000000    0.0000000    0.0000000
C       -3.2714969562     0.3278295465    -0.3584582974  0.00    0.0000000    0.0000000    0.0000000
H       -3.7030427408     1.0239069052     0.3583825281  0.00    0.0000000    0.0000000    0.0000000
H       -3.4116239968     0.7362962737    -1.3571437398  0.00    0.0000000    0.0000000    0.0000000
H       -3.7573895204    -0.6388898277    -0.2771063970  0.00    0.0000000    0.0000000    0.0000000
O       -0.0663879305    -1.1420284024     0.4854120173  0.00    0.0000000    0.0000000    0.0000000
H        0.2741740542    -0.2294637753     0.3627898996  0.00    0.0000000    0.0000000    0.0000000
C        2.5087540801     0.5951472391    -0.2773225648  0.00    0.0000000    0.0000000    0.0000000
C        2.3676556827     0.7870889767     1.0287300181  0.00    0.0000000    0.0000000    0.0000000
H        1.9592639942     1.7080213696     1.4237486480  0.00    0.0000000    0.0000000    0.0000000
H        2.6587411344     0.0246881288     1.7428029690  0.00    0.0000000    0.0000000    0.0000000
H        2.2038970916     1.3846750101    -0.9581570920  0.00    0.0000000    0.0000000    0.0000000
C        3.0588147938    -0.6467289719    -0.9032921382  0.00    0.0000000    0.0000000    0.0000000
H        3.3147885635    -1.3888199486    -0.1480736964  0.00    0.0000000    0.0000000    0.0000000
H        2.3332951048    -1.0856640987    -1.5904997099  0.00    0.0000000    0.0000000    0.0000000
H        3.9522666250    -0.4200573390    -1.4879267479  0.00    0.0000000    0.0000000    0.0000000
18
E =    56.000000000000
C       -1.8058296481     0.2315355212    -0.0906208292  0.00    0.0000000    0.0000000    0.0000000
O       -1.0044682937     1.1279846315    -0.1343933090  0.00    0.0000000    0.0000000    0.0000000
O       -1.4425990641    -1.0260102069     0.2189437927  0.00    0.0000000    0.0000000    0.0000000
C       -3.2739789749     0.3251149035    -0.3510095054  0.00    0.0000000    0.0000000    0.0000000
H       -3.7041888903     1.0188595690     0.3689292269  0.00    0.0000000    0.0000000    0.0000000
H       -3.4191577921     0.7351568659    -1.3483811284  0.00    0.0000000    0.0000000    0.0000000
H       -3.7572948528    -0.6429055758    -0.2695570162  0.00    0.0000000    0.0000000    0.0000000
O       -0.0615771727    -1.1396906020     0.4739703260  0.00    0.0000000    0.0000000    0.0000000
H        0.2755766716    -0.2252231523     0.3556585226  0.00    0.0000000    0.0000000    0.0000000
C        2.5141712852     0.5954515517    -0.2767102990  0.00    0.0000000    0.0000000    0.0000000
C        2.3666477655     0.7932373449     1.0277711652  0.00    0.0000000    0.0000000    0.0000000
H        1.9664626593     1.7201709057     1.4171416315  0.00    0.0000000    0.0000000    0.0000000
H        2.6439665929     0.0296874964     1.7462339407  0.00    0.0000000    0.0000000    0.0000000
H        2.2232420623     1.3864051233    -0.9621097519  0.00    0.0000000    0.0000000    0.0000000
C        3.0535862955    -0.6549851212    -0.8950236409  0.00    0.0000000    0.0000000    0.0000000
H        3.2944262315    -1.3981063050    -0.1357433406  0.00    0.0000000    0.0000000    0.0000000
H        2.3276954591    -1.0868014642    -1.5863614212  0.00    0.0000000    0.0000000    0.0000000
H        3.9542825107    -0.4411672898    -1.4734375899  0.00    0.0000000    0.0000000    0.0000000
18
E =    55.000000000000
C       -1.8073650532     0.2316835645    -0.0893478774  0.00    0.0000000    0.0000000    0.0000000
O       -1.0088060667     1.1306543688    -0.1326436250  0.00    0.0000000    0.0000000    0.0000000
O       -1.4391626801    -1.0260161647     0.2134885302  0.00    0.0000000    0.0000000    0.0000000
C       -3.2768425013     0.3218833262    -0.3433250224  0.00    0.0000000    0.0000000    0.0000000
H       -3.7057673204     1.0133926650     0.3794718168  0.00    0.0000000    0.0000000    0.0000000
H       -3.4273473343     0.7330431283    -1.3394323118  0.00    0.0000000    0.0000000    0.0000000
H       -3.7572714016    -0.6475152605    -0.2614153247  0.00    0.0000000    0.0000000    0.0000000
O       -0.0567265679    -1.1366445035     0.4620049624  0.00    0.0000000    0.0000000    0.0000000
H        0.2767984104    -0.2203117603     0.3481443253  0.00    0.0000000    0.0000000    0.0000000
C        2.5199678628     0.5952376291    -0.2760847775  0.00    0.0000000    0.0000000    0.0000000
C        2.3660373354     0.7993289653     1.0266755784  0.00    0.0000000    0.0000000    0.0000000
H        1.9740025723     1.7321798934     1.4101712990  0.00    0.0000000    0.0000000    0.0000000
H        2.6298234969     0.0351755338     1.7496549626  0.00    0.0000000    0.0000000    0.0000000
H        2.2428003398     1.3870972576    -0.9661761090  0.00    0.0000000    0.0000000    0.0000000
C        3.0489884926    -0.6635837631    -0.8863932545  0.00    0.0000000    0.0000000    0.0000000
H        3.2752835130    -1.4070939462    -0.1228737205  0.00    0.0000000    0.0000000    0.0000000
H        2.3229220348    -1.0889899551    -1.5815950393  0.00    0.0000000    0.0000000    0.0000000
H        3.9564862778    -0.4623697002    -1.4588028920  0.00    0.0000000    0.0000000    0.0000000
18
E =    54.000000000000
C       -1.8090821744     0.2318155497    -0.0880616574  0.00    0.0000000    0.0000000    0.0000000
O       -1.0134619355     1.1334411811    -0.1306393075  0.00    0.0000000    0.0000000    0.0000000
O       -1.4358543502    -1.0259171489     0.2084827796  0.00    0.0000000    0.0000000    0.0000000
C       -3.2797222098     0.3182782556    -0.3365718464  0.00    0.0000000    0.0000000    0.0000000
H       -3.7078394698     1.0083857199     0.3879788771  0.00    0.0000000    0.0000000    0.0000000
H       -3.4349641181     0.7293333394    -1.3319977140  0.00    0.0000000    0.0000000    0.0000000
H       -3.7572532518    -0.6524605778    -0.2534148761  0.00    0.0000000    0.0000000    0.0000000
O       -0.0521415732    -1.1331744788     0.4511863556  0.00    0.0000000    0.0000000    0.0000000
H        0.2777597283    -0.2150719682     0.3411435651  0.00    0.0000000    0.0000000    0.0000000
C        2.5264365249     0.5950927780    -0.2755300748  0.00    0.0000000    0.0000000    0.0000000
C        2.3655428024     0.8045144547     1.0255450454  0.00    0.0000000    0.0000000    0.0000000
H        1.9821860423     1.7430749111     1.4037978537  0.00    0.0000000    0.0000000    0.0000000
H        2.6147955285     0.0391311927     1.7523922833  0.00    0.0000000    0.0000000    0.0000000
H        2.2641069582     1.3884570345    -0.9696961701  0.00    0.0000000    0.0000000    0.0000000
C        3.0446027711    -0.6717049112    -0.8786876152  0.00    0.0000000    0.0000000    0.0000000
H        3.2546742081    -1.4163954090    -0.1116899664  0.00    0.0000000    0.0000000    0.0000000
H        2.3191766740    -1.0893324562    -1.5792255106  0.00    0.0000000    0.0000000    0.0000000
H        3.9595475887    -0.4833095016    -1.4435283442  0.00    0.0000000    0.0000000    0.0000000
18
E =    53.000000000000
C       -1.8113138547     0.2319413442    -0.0867222210  0.00    0.0000000    0.0000000    0.0000000
O       -1.0189505083     1.1364876853    -0.1282606827  0.00    0.0000000    0.0000000    0.0000000
O       -1.4327584472    -1.0256268456     0.2036635618  0.00    0.0000000    0.0000000    0.0000000
C       -3.2829872195     0.3140878312    -0.3305198532  0.00    0.0000000    0.0000000    0.0000000
H       -3.7108210595     1.0033252098     0.3949723346  0.00    0.0000000    0.0000000    0.0000000
H       -3.4425533909     0.7241432037    -1.3256990923  0.00    0.0000000    0.0000000    0.0000000
H       -3.7574138315    -0.6580142377    -0.2455796175  0.00    0.0000000    0.0000000    0.0000000
O       -0.0478623609    -1.1289908930     0.4411009283  0.00    0.0000000    0.0000000    0.0000000
H        0.2782491726    -0.2091734532     0.3344592633  0.00    0.0000000    0.0000000    0.0000000
C        2.5339333347     0.5947752096    -0.2750032366  0.00    0.0000000    0.0000000    0.0000000
C        2.3656859040     0.8089279477     1.0243728392  0.00    0.0000000    0.0000000    0.0000000
H        1.9913347612     1.7530058575     1.3978462507  0.00    0.0000000    0.0000000    0.0000000
H        2.5998593160     0.0419956886     1.7546507282  0.00    0.0000000    0.0000000    0.0000000
H        2.2871476325     1.3899656406    -0.9727980275  0.00    0.0000000    0.0000000    0.0000000
C        3.0409668609    -0.6796306200    -0.8716056777  0.00    0.0000000    0.0000000    0.0000000
H        3.2345762198    -1.4257247255    -0.1016074281  0.00    0.0000000    0.0000000    0.0000000
H        2.3163892179    -1.0890527034    -1.5778449945  0.00    0.0000000    0.0000000    0.0000000
H        3.9632630795    -0.5039616265    -1.4285849545  0.00    0.0000000    0.0000000    0.0000000
18
E =    52.000000000000
C       -1.8137756748     0.2319954233    -0.0853925267  0.00    0.0000000    0.0000000    0.0000000
O       -1.0246983621     1.1394244121    -0.1256138388  0.00    0.0000000    0.0000000    0.0000000
O       -1.4300439432    -1.0252951695     0.1992176049  0.00    0.0000000    0.0000000    0.0000000
C       -3.2863015979     0.3097963846    -0.3253221906  0.00    0.0000000    0.0000000    0.0000000
H       -3.7142182180     0.9984537152     0.4006391879  0.00    0.0000000    0.0000000    0.0000000
H       -3.4495853066     0.7184957704    -1.3204643083  0.00    0.0000000    0.0000000    0.0000000
H       -3.7577183975    -0.6636023725    -0.2385442512  0.00    0.0000000    0.0000000    0.0000000
O       -0.0441322573    -1.1246902983     0.4322214943  0.00    0.0000000    0.0000000    0.0000000
H        0.2783400209    -0.2033202407     0.3283565489  0.00    0.0000000    0.0000000    0.0000000
C        2.5423154181     0.5945804650    -0.2745857832  0.00    0.0000000    0.0000000    0.0000000
C        2.3660269909     0.8127168742     1.0230361785  0.00    0.0000000    0.0000000    0.0000000
H        2.0011067202     1.7620617585     1.3923165192  0.00    0.0000000    0.0000000    0.0000000
H        2.5841513273     0.0438805994     1.7561348018  0.00    0.0000000    0.0000000    0.0000000
H        2.3121227346     1.3919480258    -0.9753745177  0.00    0.0000000    0.0000000    0.0000000
C        3.0378755307    -0.6869774211    -0.8653761762  0.00    0.0000000    0.0000000    0.0000000
H        3.2142896197    -1.4347377783    -0.0930474171  0.00    0.0000000    0.0000000    0.0000000
H        2.3146856867    -1.0874780743    -1.5780058126  0.00    0.0000000    0.0000000    0.0000000
H        3.9675172910    -0.5241286431    -1.4137502790  0.00    0.0000000    0.0000000    0.0000000
18
E =    51.000000000000
C       -1.8161786364     0.2320169174    -0.0840785678  0.00    0.0000000    0.0000000    0.0000000
O       -1.0302397507     1.1422391856    -0.1230292481  0.00    0.0000000    0.0000000    0.0000000
O       -1.4275180876    -1.0250459612     0.1951269458  0.00    0.0000000    0.0000000    0.0000000
C       -3.2894785155     0.3057129267    -0.3204901479  0.00    0.0000000    0.0000000    0.0000000
H       -3.7175352538     0.9939197488     0.4057905592  0.00    0.0000000    0.0000000    0.0000000
H       -3.4561043288     0.7130734168    -1.3156619438  0.00    0.0000000    0.0000000    0.0000000
H       -3.7580884744    -0.6688763883    -0.2319564909  0.00    0.0000000    0.0000000    0.0000000
O       -0.0406461576    -1.1206598949     0.4239380255  0.00    0.0000000    0.0000000    0.0000000
H        0.2783287020    -0.1977492513     0.3226848059  0.00    0.0000000    0.0000000    0.0000000
C        2.5508475088     0.5945895805    -0.2742611119  0.00    0.0000000    0.0000000    0.0000000
C        2.3661072208     0.8162296004     1.0216281286  0.00    0.0000000    0.0000000    0.0000000
H        2.0106148208     1.7707160506     1.3869140174  0.00    0.0000000    0.0000000    0.0000000
H        2.5677248874     0.0451552829     1.7573247041  0.00    0.0000000    0.0000000    0.0000000
H        2.3376929312     1.3944328692    -0.9778282090  0.00    0.0000000    0.0000000    0.0000000
C        3.0349527651    -0.6939170892    -0.8595722304  0.00    0.0000000    0.0000000    0.0000000
H        3.1939577910    -1.4436339542    -0.0851433354  0.00    0.0000000    0.0000000    0.0000000
H        2.3132625109    -1.0852217249    -1.5789114958  0.00    0.0000000    0.0000000    0.0000000
H        3.9720615066    -0.5437252333    -1.3990462093  0.00    0.0000000    0.0000000    0.0000000
18
E =    50.000000000000
C       -1.8193870015     0.2321044650    -0.0828694944  0.00    0.0000000    0.0000000    0.0000000
O       -1.0371593983     1.1455690815    -0.1207183957  0.00    0.0000000    0.0000000    0.0000000
O       -1.4249566365    -1.0243972045     0.1907000864  0.00    0.0000000    0.0000000    0.0000000
C       -3.2935871251     0.3006348521    -0.3152533676  0.00    0.0000000    0.0000000    0.0000000
H       -3.7221055900     0.9877899912     0.4116996737  0.00    0.0000000    0.0000000    0.0000000
H       -3.4643073771     0.7067337573    -1.3102691731  0.00    0.0000000    0.0000000    0.0000000
H       -3.7585223101    -0.6755784131    -0.2250426439  0.00    0.0000000    0.0000000    0.0000000
O       -0.0370618019    -1.1153474754     0.4150697477  0.00    0.0000000    0.0000000    0.0000000
H        0.2778775091    -0.1908148370     0.3164154997  0.00    0.0000000    0.0000000    0.0000000
C        2.5600561684     0.5938451141    -0.2735025226  0.00    0.0000000    0.0000000    0.0000000
C        2.3679081863     0.8193773054     1.0206206051  0.00    0.0000000    0.0000000    0.0000000
H        2.0218839212     1.7787723757     1.3821122266  0.00    0.0000000    0.0000000    0.0000000
H        2.5539971002     0.0466863032     1.7587080526  0.00    0.0000000    0.0000000    0.0000000
H        2.3628908698     1.3955310560    -0.9796124784  0.00    0.0000000    0.0000000    0.0000000
C        3.0327782011    -0.7012875390    -0.8535622574  0.00    0.0000000    0.0000000    0.0000000
H        3.1758081739    -1.4521753762    -0.0771792999  0.00    0.0000000    0.0000000    0.0000000
H        2.3123570257    -1.0842629110    -1.5785933075  0.00    0.0000000    0.0000000    0.0000000
H        3.9762295818    -0.5634144453    -1.3851729626  0.00    0.0000000    0.0000000    0.0000000
18
E =    49.000000000000
C       -1.8231357409     0.2321948364    -0.0818060873  0.00    0.0000000    0.0000000    0.0000000
O       -1.0449938625     1.1492176161    -0.1185152296  0.00    0.0000000    0.0000000    0.0000000
O       -1.4224847870    -1.0234571318     0.1865404005  0.00    0.0000000    0.0000000    0.0000000
C       -3.2981678182     0.2947655649    -0.3106658392  0.00    0.0000000    0.0000000    0.0000000
H       -3.7277560954     0.9808050230     0.4166753826  0.00    0.0000000    0.0000000    0.0000000
H       -3.4728714062     0.6992744662    -1.3056610692  0.00    0.0000000    0.0000000    0.0000000
H       -3.7589302875    -0.6832857026    -0.2187359686  0.00    0.0000000    0.0000000    0.0000000
O       -0.0336423722    -1.1090643740     0.4070019566  0.00    0.0000000    0.0000000    0.0000000
H        0.2769401740    -0.1828848295     0.3104614715  0.00    0.0000000    0.0000000    0.0000000
C        2.5699762815     0.5928061251    -0.2725339199  0.00    0.0000000    0.0000000    0.0000000
C        2.3709457722     0.8215875983     1.0199655997  0.00    0.0000000    0.0000000    0.0000000
H        2.0347143823     1.7855815345     1.3784479258  0.00    0.0000000    0.0000000    0.0000000
H        2.5416689884     0.0470426699     1.7597982639  0.00    0.0000000    0.0000000    0.0000000
H        2.3885931879     1.3965387295    -0.9805082008  0.00    0.0000000    0.0000000    0.0000000
C        3.0310070785    -0.7084508878    -0.8483171353  0.00    0.0000000    0.0000000    0.0000000
H        3.1584296761    -1.4607071143    -0.0705912580  0.00    0.0000000    0.0000000    0.0000000
H        2.3117566296    -1.0827779799    -1.5789569407  0.00    0.0000000    0.0000000    0.0000000
H        3.9803625668    -0.5826261201    -1.3723196836  0.00    0.0000000    0.0000000    0.0000000
18
E =    48.000000000000
C       -1.8277138891     0.2323199443    -0.0808384540  0.00    0.0000000    0.0000000    0.0000000
O       -1.0542495549     1.1533816997    -0.1160528666  0.00    0.0000000    0.0000000    0.0000000
O       -1.4201513127    -1.0221443405     0.1825935120  0.00    0.0000000    0.0000000    0.0000000
C       -3.3034580913     0.2878805804    -0.3070414159  0.00    0.0000000    0.0000000    0.0000000
H       -3.7350527933     0.9727085539     0.4202093893  0.00    0.0000000    0.0000000    0.0000000
H       -3.4818269846     0.6903441645    -1.3022505502  0.00    0.0000000    0.0000000    0.0000000
H       -3.7594104260    -0.6922815973    -0.2134023024  0.00    0.0000000    0.0000000    0.0000000
O       -0.0304647434    -1.1014643959     0.3999474513  0.00    0.0000000    0.0000000    0.0000000
H        0.2753173096    -0.1735528578     0.3050786357  0.00    0.0000000    0.0000000    0.0000000
C        2.5808386751     0.5912661261    -0.2714666361  0.00    0.0000000    0.0000000    0.0000000
C        2.3755964865     0.8226388798     1.0196073871  0.00    0.0000000    0.0000000    0.0000000
H        2.0491739715     1.7907934620     1.3758549508  0.00    0.0000000    0.0000000    0.0000000
H        2.5315884986     0.0461024871     1.7605460237  0.00    0.0000000    0.0000000    0.0000000
H        2.4146973522     1.3971417542    -0.9806581208  0.00    0.0000000    0.0000000    0.0000000
C        3.0302424119    -0.7154977800    -0.8439645175  0.00    0.0000000    0.0000000    0.0000000
H        3.1429486714    -1.4691878989    -0.0654381236  0.00    0.0000000    0.0000000    0.0000000
H        2.3119567284    -1.0812183257    -1.5798335392  0.00    0.0000000    0.0000000    0.0000000
H        3.9848039839    -0.6011164835    -1.3609881515  0.00    0.0000000    0.0000000    0.0000000
18
E =    47.000000000000
C       -1.8332222126     0.2325032817    -0.0799826665  0.00    0.0000000    0.0000000    0.0000000
O       -1.0651450728     1.1581213738    -0.1134476337  0.00    0.0000000    0.0000000    0.0000000
O       -1.4179685196    -1.0203308612     0.1789035505  0.00    0.0000000    0.0000000    0.0000000
C       -3.3095367924     0.2798622315    -0.3043295529  0.00    0.0000000    0.0000000    0.0000000
H       -3.7440831322     0.9632741966     0.4224689396  0.00    0.0000000    0.0000000    0.0000000
H       -3.4913532298     0.6798661191    -1.2999180714  0.00    0.0000000    0.0000000    0.0000000
H       -3.7599302036    -0.7026998493    -0.2089927860  0.00    0.0000000    0.0000000    0.0000000
O       -0.0275414483    -1.0922748876     0.3938915643  0.00    0.0000000    0.0000000    0.0000000
H        0.2728251743    -0.1625712418     0.3003324209  0.00    0.0000000    0.0000000    0.0000000
C        2.5925182326     0.5890084134    -0.2702740096  0.00    0.0000000    0.0000000    0.0000000
C        2.3819870826     0.8222759172     1.0195968187  0.00    0.0000000    0.0000000    0.0000000
H        2.0648687397     1.7939810385     1.3744358718  0.00    0.0000000    0.0000000    0.0000000
H        2.5245040791     0.0437648083     1.7610286133  0.00    0.0000000    0.0000000    0.0000000
H        2.4403460736     1.3969754719    -0.9800769650  0.00    0.0000000    0.0000000    0.0000000
C        3.0309157653    -0.7224041990    -0.8405407780  0.00    0.0000000    0.0000000    0.0000000
H        3.1304149839    -1.4774745184    -0.0617029870  0.00    0.0000000    0.0000000    0.0000000
H        2.3133776824    -1.0799871051    -1.5810067789  0.00    0.0000000    0.0000000    0.0000000
H        3.9898466152    -0.6183963332    -1.3514999547  0.00    0.0000000    0.0000000    0.0000000
18
E =    46.000000000000
C       -1.8397046350     0.2327986742    -0.0793633896  0.00    0.0000000    0.0000000    0.0000000
O       -1.0776287061     1.1634863102    -0.1113002127  0.00    0.0000000    0.0000000    0.0000000
O       -1.4160027138    -1.0180212970     0.1757265960  0.00    0.0000000    0.0000000    0.0000000
C       -3.3165759086     0.2708466192    -0.3022510306  0.00    0.0000000    0.0000000    0.0000000
H       -3.7547973875     0.9525405449     0.4239406053  0.00    0.0000000    0.0000000    0.0000000
H       -3.5018945860     0.6682291739    -1.2982871692  0.00    0.0000000    0.0000000    0.0000000
H       -3.7606961713    -0.7144470132    -0.2052928009  0.00    0.0000000    0.0000000    0.0000000
O       -0.0248514807    -1.0815885942     0.3888172052  0.00    0.0000000    0.0000000    0.0000000
H        0.2695647967    -0.1499670094     0.2960758308  0.00    0.0000000    0.0000000    0.0000000
C        2.6047469092     0.5860578078    -0.2688872570  0.00    0.0000000    0.0000000    0.0000000
C        2.3900615994     0.8201938052     1.0201622971  0.00    0.0000000    0.0000000    0.0000000
H        2.0811947140     1.7947518090     1.3744848293  0.00    0.0000000    0.0000000    0.0000000
H        2.5211406072     0.0394716210     1.7614596259  0.00    0.0000000    0.0000000    0.0000000
H        2.4645056966     1.3962468108    -0.9786782119  0.00    0.0000000    0.0000000    0.0000000
C        3.0335144589    -0.7290391746    -0.8381133963  0.00    0.0000000    0.0000000    0.0000000
H        3.1225907114    -1.4855495973    -0.0593811165  0.00    0.0000000    0.0000000    0.0000000
H        2.3160226577    -1.0795647121    -1.5820006989  0.00    0.0000000    0.0000000    0.0000000
H        3.9956631858    -0.6334825061    -1.3446983256  0.00    0.0000000    0.0000000    0.0000000
18
E =    45.000000000000
C       -1.8469427944     0.2331746617    -0.0790182493  0.00    0.0000000    0.0000000    0.0000000
O       -1.0912456944     1.1691237664    -0.1099161955  0.00    0.0000000    0.0000000    0.0000000
O       -1.4143480500    -1.0151681687     0.1731432710  0.00    0.0000000    0.0000000    0.0000000
C       -3.3242908222     0.2610918656    -0.3005821895  0.00    0.0000000    0.0000000    0.0000000
H       -3.7666689560     0.9406415743     0.4250632029  0.00    0.0000000    0.0000000    0.0000000
H       -3.5132894436     0.6557703897    -1.2970230743  0.00    0.0000000    0.0000000    0.0000000
H       -3.7615056453    -0.7271589622    -0.2021010799  0.00    0.0000000    0.0000000    0.0000000
O       -0.0225656097    -1.0696446975     0.3846325850  0.00    0.0000000    0.0000000    0.0000000
H        0.2654960425    -0.1361176006     0.2922705356  0.00    0.0000000    0.0000000    0.0000000
C        2.6171512836     0.5824239741    -0.2672333677  0.00    0.0000000    0.0000000    0.0000000
C        2.3995785863     0.8165065865     1.0213400718  0.00    0.0000000    0.0000000    0.0000000
H        2.0975805907     1.7930494778     1.3760911077  0.00    0.0000000    0.0000000    0.0000000
H        2.5217734797     0.0337170767     1.7619128406  0.00    0.0000000    0.0000000    0.0000000
H        2.4863050137     1.3946863064    -0.9763846182  0.00    0.0000000    0.0000000    0.0000000
C        3.0379333121    -0.7351551936    -0.8366596359  0.00    0.0000000    0.0000000    0.0000000
H        3.1196102662    -1.4929865530    -0.0584564827  0.00    0.0000000    0.0000000    0.0000000
H        2.3198862809    -1.0798806785    -1.5826585454  0.00    0.0000000    0.0000000    0.0000000
H        4.0020143167    -0.6459804079    -1.3406945251  0.00    0.0000000    0.0000000    0.0000000
18
E =    44.000000000000
C       -1.8545391319     0.2336034728    -0.0788907272  0.00    0.0000000    0.0000000    0.0000000
O       -1.1054596472     1.1749237306    -0.1091896601  0.00    0.0000000    0.0000000    0.0000000
O       -1.4128314759    -1.0119890202     0.1709765527  0.00    0.0000000    0.0000000    0.0000000
C       -3.3323093916     0.2509378330    -0.2991330490  0.00    0.0000000    0.0000000    0.0000000
H       -3.7790354144     0.9281547589     0.4260021028  0.00    0.0000000    0.0000000    0.0000000
H       -3.5251131735     0.6428474770    -1.2959517522  0.00    0.0000000    0.0000000    0.0000000
H       -3.7622660981    -0.7403526768    -0.1991013333  0.00    0.0000000    0.0000000    0.0000000
O       -0.0204937182    -1.0569796193     0.3809914822  0.00    0.0000000    0.0000000    0.0000000
H        0.2609454307    -0.1215349320     0.2888522319  0.00    0.0000000    0.0000000    0.0000000
C        2.6292674057     0.5783546543    -0.2653807995  0.00    0.0000000    0.0000000    0.0000000
C        2.4100498334     0.8117887128     1.0230382026  0.00    0.0000000    0.0000000    0.0000000
H        2.1139131074     1.7897342562     1.3788236847  0.00    0.0000000    0.0000000    0.0000000
H        2.5254978952     0.0269909041     1.7625314138  0.00    0.0000000    0.0000000    0.0000000
H        2.5056450026     1.3925861935    -0.9735393422  0.00    0.0000000    0.0000000    0.0000000
C        3.0433506050    -0.7408880111    -0.8358203716  0.00    0.0000000    0.0000000    0.0000000
H        3.1200988309    -1.4999628519    -0.0583611029  0.00    0.0000000    0.0000000    0.0000000
H        2.3241605462    -1.0809278841    -1.5828534345  0.00    0.0000000    0.0000000    0.0000000
H        4.0083806688    -0.6564524919    -1.3388248310  0.00    0.0000000    0.0000000    0.0000000
18
E =    43.000000000000
C       -1.8623232066     0.2340592016    -0.0788939975  0.00    0.0000000    0.0000000    0.0000000
O       -1.1200109590     1.1807838111    -0.1087948534  0.00    0.0000000    0.0000000    0.0000000
O       -1.4114031020    -1.0085938711     0.1690411843  0.00    0.0000000    0.0000000    0.0000000
C       -3.3404241418     0.2405821906    -0.2978336267  0.00    0.0000000    0.0000000    0.0000000
H       -3.7916049184     0.9153876464     0.4267839354  0.00    0.0000000    0.0000000    0.0000000
H       -3.5370518604     0.6296393358    -1.2950361521  0.00    0.0000000    0.0000000    0.0000000
H       -3.7629657610    -0.7537562092    -0.1962503557  0.00    0.0000000    0.0000000    0.0000000
O       -0.0185712416    -1.0438950174     0.3776395056  0.00    0.0000000    0.0000000    0.0000000
H        0.2560821032    -0.1065510269     0.2857171505  0.00    0.0000000    0.0000000    0.0000000
C        2.6409997760     0.5740010610    -0.2634338327  0.00    0.0000000    0.0000000    0.0000000
C        2.4211505409     0.8064788957     1.0250415011  0.00    0.0000000    0.0000000    0.0000000
H        2.1300298428     1.7854474780     1.3821561980  0.00    0.0000000    0.0000000    0.0000000
H        2.5314770563     0.0198484182     1.7633281253  0.00    0.0000000    0.0000000    0.0000000
H        2.5228940648     1.3900026516    -0.9704829550  0.00    0.0000000    0.0000000    0.0000000
C        3.0493983176    -0.7463976472    -0.8353113092  0.00    0.0000000    0.0000000    0.0000000
H        3.1229591860    -1.5065951649    -0.0586597774  0.00    0.0000000    0.0000000    0.0000000
H        2.3287396347    -1.0826414337    -1.5826211626  0.00    0.0000000    0.0000000    0.0000000
H        4.0147622420    -0.6655356991    -1.3382791122  0.00    0.0000000    0.0000000    0.0000000
18
E =    42.000000000000
C       -1.8701694194     0.2345385699    -0.0789532269  0.00    0.0000000    0.0000000    0.0000000
O       -1.1347734046     1.1866690005    -0.1085728994  0.00    0.0000000    0.0000000    0.0000000
O       -1.4099433175    -1.0050023105     0.1672396007  0.00    0.0000000    0.0000000    0.0000000
C       -3.3484812600     0.2300611954    -0.2966264710  0.00    0.0000000    0.0000000    0.0000000
H       -3.8041879317     0.9023514080     0.4274539286  0.00    0.0000000    0.0000000    0.0000000
H       -3.5489183088     0.6161784584    -1.2942125638  0.00    0.0000000    0.0000000    0.0000000
H       -3.7634439496    -0.7672994081    -0.1934718046  0.00    0.0000000    0.0000000    0.0000000
O       -0.0167035156    -1.0304080453     0.3744370628  0.00    0.0000000    0.0000000    0.0000000
H        0.2509454148    -0.0911782973     0.2827315586  0.00    0.0000000    0.0000000    0.0000000
C        2.6523079446     0.5693695832    -0.2614620267  0.00    0.0000000    0.0000000    0.0000000
C        2.4325052836     0.8007305946     1.0272270133  0.00    0.0000000    0.0000000    0.0000000
H        2.1456852632     1.7804044933     1.3858673096  0.00    0.0000000    0.0000000    0.0000000
H        2.5389134719     0.0123924116     1.7642315298  0.00    0.0000000    0.0000000    0.0000000
H        2.5384326409     1.3869804588    -0.9673108301  0.00    0.0000000    0.0000000    0.0000000
C        3.0558391749    -0.7517841165    -0.8349881540  0.00    0.0000000    0.0000000    0.0000000
H        3.1274446008    -1.5129932199    -0.0591542599  0.00    0.0000000    0.0000000    0.0000000
H        2.3335418087    -1.0849413588    -1.5820799317  0.00    0.0000000    0.0000000    0.0000000
H        4.0211219299    -0.6736316339    -1.3385599578  0.00    0.0000000    0.0000000    0.0000000
18
E =    41.000000000000
C       -1.8780173682     0.2350477324    -0.0791218141  0.00    0.0000000    0.0000000    0.0000000
O       -1.1496297769     1.1926359155    -0.1086764386  0.00    0.0000000    0.0000000    0.0000000
O       -1.4083901854    -1.0012676869     0.1656163984  0.00    0.0000000    0.0000000    0.0000000
C       -3.3565201010     0.2194283988    -0.2954173480  0.00    0.0000000    0.0000000    0.0000000
H       -3.8167450149     0.8891139296     0.4282186466  0.00    0.0000000    0.0000000    0.0000000
H       -3.5608983432     0.6026630400    -1.2933378991  0.00    0.0000000    0.0000000    0.0000000
H       -3.7637860636    -0.7809839472    -0.1906975449  0.00    0.0000000    0.0000000    0.0000000
O       -0.0147507102    -1.0166295478     0.3713960585  0.00    0.0000000    0.0000000    0.0000000
H        0.2457989956    -0.0755046959     0.2798062226  0.00    0.0000000    0.0000000    0.0000000
C        2.6631444643     0.5645276820    -0.2594039270  0.00    0.0000000    0.0000000    0.0000000
C        2.4439192901     0.7945307974     1.0296114707  0.00    0.0000000    0.0000000    0.0000000
H        2.1608076227     1.7746566447     1.3900076456  0.00    0.0000000    0.0000000    0.0000000
H        2.5474540242     0.0045238564     1.7652403628  0.00    0.0000000    0.0000000    0.0000000
H        2.5524144774     1.3836949712    -0.9639730150  0.00    0.0000000    0.0000000    0.0000000
C        3.0625356966    -0.7570460929    -0.8348696417  0.00    0.0000000    0.0000000    0.0000000
H        3.1331084772    -1.5192577855    -0.0599383225  0.00    0.0000000    0.0000000    0.0000000
H        2.3384854177    -1.0875933694    -1.5814109753  0.00    0.0000000    0.0000000    0.0000000
H        4.0274377862    -0.6808464361    -1.3394891804  0.00    0.0000000    0.0000000    0.0000000
18
E =    40.000000000000
C       -1.8858113577     0.2355671754    -0.0793763386  0.00    0.0000000    0.0000000    0.0000000
O       -1.1645221226     1.1985428174    -0.1092066018  0.00    0.0000000    0.0000000    0.0000000
O       -1.4067460197    -0.9973456167     0.1641985654  0.00    0.0000000    0.0000000    0.0000000
C       -3.3644230342     0.2086781007    -0.2941182367  0.00    0.0000000    0.0000000    0.0000000
H       -3.8291016258     0.8756008487     0.4292235449  0.00    0.0000000    0.0000000    0.0000000
H       -3.5728451814     0.5890785640    -1.2922986283  0.00    0.0000000    0.0000000    0.0000000
H       -3.7638593810    -0.7947341585    -0.1878671341  0.00    0.0000000    0.0000000    0.0000000
O       -0.0127832149    -1.0024829573     0.3684325358  0.00    0.0000000    0.0000000    0.0000000
H        0.2405195618    -0.0595102273     0.2768595120  0.00    0.0000000    0.0000000    0.0000000
C        2.6735113751     0.5595020825    -0.2572456472  0.00    0.0000000    0.0000000    0.0000000
C        2.4553435862     0.7878678356     1.0322375605  0.00    0.0000000    0.0000000    0.0000000
H        2.1753804453     1.7681815634     1.3945988055  0.00    0.0000000    0.0000000    0.0000000
H        2.5569293927    -0.0037557858     1.7663608836  0.00    0.0000000    0.0000000    0.0000000
H        2.5649423538     1.3801648083    -0.9604049455  0.00    0.0000000    0.0000000    0.0000000
C        3.0693857469    -0.7621511031    -0.8349413297  0.00    0.0000000    0.0000000    0.0000000
H        3.1396620880    -1.5254201425    -0.0610288667  0.00    0.0000000    0.0000000    0.0000000
H        2.3435672788    -1.0904523538    -1.5807534057  0.00    0.0000000    0.0000000    0.0000000
H        4.0336990707    -0.6872343743    -1.3409055964  0.00    0.0000000    0.0000000    0.0000000
18
E =    39.000000000000
C       -1.8935238275     0.2360831163    -0.0797367338  0.00    0.0000000    0.0000000    0.0000000
O       -1.1794626743     1.2044431669    -0.1101857601  0.00    0.0000000    0.0000000    0.0000000
O       -1.4049209554    -0.9932417549     0.1629886804  0.00    0.0000000    0.0000000    0.0000000
C       -3.3721786072     0.1978206248    -0.2927044734  0.00    0.0000000    0.0000000    0.0000000
H       -3.8412091104     0.8618091127     0.4305050681  0.00    0.0000000    0.0000000    0.0000000
H       -3.5847942939     0.5754830413    -1.2910418242  0.00    0.0000000    0.0000000    0.0000000
H       -3.7636712184    -0.8085781610    -0.1849817098  0.00    0.0000000    0.0000000    0.0000000
O       -0.0106838235    -0.9879805028     0.3655342928  0.00    0.0000000    0.0000000    0.0000000
H        0.2352509807    -0.0431918685     0.2739249042  0.00    0.0000000    0.0000000    0.0000000
C        2.6833628070     0.5542856341    -0.2549490819  0.00    0.0000000    0.0000000    0.0000000
C        2.4666853165     0.7807475454     1.0350981068  0.00    0.0000000    0.0000000    0.0000000
H        2.1893153495     1.7610032955     1.3996195730  0.00    0.0000000    0.0000000    0.0000000
H        2.5671009288    -0.0125083271     1.7676079571  0.00    0.0000000    0.0000000    0.0000000
H        2.5760740440     1.3764265694    -0.9565815934  0.00    0.0000000    0.0000000    0.0000000
C        3.0762778442    -0.7671354999    -0.8352076734  0.00    0.0000000    0.0000000    0.0000000
H        3.1467807112    -1.5315525586    -0.0624620257  0.00    0.0000000    0.0000000    0.0000000
H        2.3487119479    -1.0934111342    -1.5801869565  0.00    0.0000000    0.0000000    0.0000000
H        4.0398493390    -0.6929337261    -1.3426977077  0.00    0.0000000    0.0000000    0.0000000
18
E =    38.000000000000
C       -1.9011205426     0.2366054559    -0.0801866010  0.00    0.0000000    0.0000000    0.0000000
O       -1.1944291233     1.2103721921    -0.1115710005  0.00    0.0000000    0.0000000    0.0000000
O       -1.4028897509    -0.9889409233     0.1619758229  0.00    0.0000000    0.0000000    0.0000000
C       -3.3797413928     0.1868215905    -0.2911790576  0.00    0.0000000    0.0000000    0.0000000
H       -3.8530626027     0.8477155009     0.4320610182  0.00    0.0000000    0.0000000    0.0000000
H       -3.5966791918     0.5618272758    -1.2895906503  0.00    0.0000000    0.0000000    0.0000000
H       -3.7631536536    -0.8225524123    -0.1820652357  0.00    0.0000000    0.0000000    0.0000000
O       -0.0084335024    -0.9731308055     0.3626861210  0.00    0.0000000    0.0000000    0.0000000
H        0.2300593882    -0.0265671248     0.2710153782  0.00    0.0000000    0.0000000    0.0000000
C        2.6926828353     0.5488651250    -0.2525470116  0.00    0.0000000    0.0000000    0.0000000
C        2.4778525754     0.7731764595     1.0381675941  0.00    0.0000000    0.0000000    0.0000000
H        2.2025547203     1.7531478315     1.4050327368  0.00    0.0000000    0.0000000    0.0000000
H        2.5778403305    -0.0217164149     1.7689405414  0.00    0.0000000    0.0000000    0.0000000
H        2.5858417115     1.3724823129    -0.9525294531  0.00    0.0000000    0.0000000    0.0000000
C        3.0831571312    -0.7720101243    -0.8356405580  0.00    0.0000000    0.0000000    0.0000000
H        3.1543081562    -1.5377085142    -0.0642214894  0.00    0.0000000    0.0000000    0.0000000
H        2.3539395090    -1.0964454751    -1.5797870543  0.00    0.0000000    0.0000000    0.0000000
H        4.0459054644    -0.6979970519    -1.3447317407  0.00    0.0000000    0.0000000    0.0000000
18
E =    37.000000000000
C       -1.9085544936     0.2371771677    -0.0806829459  0.00    0.0000000    0.0000000    0.0000000
O       -1.2094543475     1.2163377480    -0.1133061088  0.00    0.0000000    0.0000000    0.0000000
O       -1.4005796800    -0.9843843392     0.1611257639  0.00    0.0000000    0.0000000    0.0000000
C       -3.3870165435     0.1756301083    -0.2895450995  0.00    0.0000000    0.0000000    0.0000000
H       -3.8646235587     0.8332117105     0.4338558680  0.00    0.0000000    0.0000000    0.0000000
H       -3.6084095382     0.5480087765    -1.2879631888  0.00    0.0000000    0.0000000    0.0000000
H       -3.7621152711    -0.8366971783    -0.1790977391  0.00    0.0000000    0.0000000    0.0000000
O       -0.0060059888    -0.9578986408     0.3598631794  0.00    0.0000000    0.0000000    0.0000000
H        0.2249743420    -0.0096202882     0.2681494964  0.00    0.0000000    0.0000000    0.0000000
C        2.7013937728     0.5432320682    -0.2500601390  0.00    0.0000000    0.0000000    0.0000000
C        2.4887308230     0.7651315530     1.0414083618  0.00    0.0000000    0.0000000    0.0000000
H        2.2149449403     1.7445981277     1.4107786875  0.00    0.0000000    0.0000000    0.0000000
H        2.5889800420    -0.0313913331     1.7703316827  0.00    0.0000000    0.0000000    0.0000000
H        2.5942081758     1.3682863307    -0.9482940950  0.00    0.0000000    0.0000000    0.0000000
C        3.0899958268    -0.7768336375    -0.8362174442  0.00    0.0000000    0.0000000    0.0000000
H        3.1620955083    -1.5439026803    -0.0662614503  0.00    0.0000000    0.0000000    0.0000000
H        2.3592647899    -1.0995998881    -1.5795806208  0.00    0.0000000    0.0000000    0.0000000
H        4.0518918839    -0.7025038520    -1.3468824295  0.00    0.0000000    0.0000000    0.0000000
18
E =    36.000000000000
C       -1.9157674746     0.2378036315    -0.0812369976  0.00    0.0000000    0.0000000    0.0000000
O       -1.2244312865     1.2224761726    -0.1153074174  0.00    0.0000000    0.0000000    0.0000000
O       -1.3978796623    -0.9796363135     0.1604156162  0.00    0.0000000    0.0000000    0.0000000
C       -3.3940539511     0.1642306583    -0.2878456321  0.00    0.0000000    0.0000000    0.0000000
H       -3.8759727905     0.8183532941     0.4358610068  0.00    0.0000000    0.0000000    0.0000000
H       -3.6200628389     0.5340549831    -1.2861844650  0.00    0.0000000    0.0000000    0.0000000
H       -3.7606029615    -0.8511173629    -0.1761011225  0.00    0.0000000    0.0000000    0.0000000
O       -0.0032053999    -0.9422450980     0.3571135464  0.00    0.0000000    0.0000000    0.0000000
H        0.2201359789     0.0077407494     0.2652985475  0.00    0.0000000    0.0000000    0.0000000
C        2.7093405378     0.5373204337    -0.2475100928  0.00    0.0000000    0.0000000    0.0000000
C        2.4990771973     0.7565939875     1.0447677179  0.00    0.0000000    0.0000000    0.0000000
H        2.2262190937     1.7353273411     1.4167938272  0.00    0.0000000    0.0000000    0.0000000
H        2.6002602571    -0.0415597462     1.7717584419  0.00    0.0000000    0.0000000    0.0000000
H        2.6010244115     1.3637722948    -0.9439316582  0.00    0.0000000    0.0000000    0.0000000
C        3.0967068684    -0.7816410040    -0.8369329729  0.00    0.0000000    0.0000000    0.0000000
H        3.1699959623    -1.5502108614    -0.0685874473  0.00    0.0000000    0.0000000    0.0000000
H        2.3647073915    -1.1029247576    -1.5796921805  0.00    0.0000000    0.0000000    0.0000000
H        4.0577849824    -0.7064904803    -1.3490323910  0.00    0.0000000    0.0000000    0.0000000
18
E =    35.000000000000
C       -1.9226818449     0.2385148429    -0.0818237820  0.00    0.0000000    0.0000000    0.0000000
O       -1.2393546757     1.2287373667    -0.1175251344  0.00    0.0000000    0.0000000    0.0000000
O       -1.3947199790    -0.9745678995     0.1598362626  0.00    0.0000000    0.0000000    0.0000000
C       -3.4006364912     0.1525542003    -0.2860587662  0.00    0.0000000    0.0000000    0.0000000
H       -3.8869708566     0.8029128339     0.4380781332  0.00    0.0000000    0.0000000    0.0000000
H       -3.6314272401     0.5197667628    -1.2842636691  0.00    0.0000000    0.0000000    0.0000000
H       -3.7582726157    -0.8658577381    -0.1730921324  0.00    0.0000000    0.0000000    0.0000000
O       -0.0000507774    -0.9260775693     0.3543987605  0.00    0.0000000    0.0000000    0.0000000
H        0.2155279142     0.0255592112     0.2624440473  0.00    0.0000000    0.0000000    0.0000000
C        2.7163584896     0.5310857896    -0.2449317973  0.00    0.0000000    0.0000000    0.0000000
C        2.5087117412     0.7475129811     1.0482267616  0.00    0.0000000    0.0000000    0.0000000
H        2.2360882246     1.7252599283     1.4230153158  0.00    0.0000000    0.0000000    0.0000000
H        2.6115575968    -0.0522487409     1.7731867819  0.00    0.0000000    0.0000000    0.0000000
H        2.6060686115     1.3588722793    -0.9394624925  0.00    0.0000000    0.0000000    0.0000000
C        3.1032598474    -0.7864724273    -0.8377810205  0.00    0.0000000    0.0000000    0.0000000
H        3.1778940307    -1.5566572968    -0.0711736960  0.00    0.0000000    0.0000000    0.0000000
H        2.3703502755    -1.1064576082    -1.5801794515  0.00    0.0000000    0.0000000    0.0000000
H        4.0636405797    -0.7099391828    -1.3510148849  0.00    0.0000000    0.0000000    0.0000000
18
E =    34.000000000000
C       -1.9291669226     0.2393230818    -0.0824276881  0.00    0.0000000    0.0000000    0.0000000
O       -1.2541282545     1.2351699394    -0.1199396086  0.00    0.0000000    0.0000000    0.0000000
O       -1.3909159524    -0.9691638953     0.1593659322  0.00    0.0000000    0.0000000    0.0000000
C       -3.4066648231     0.1405575958    -0.2841703849  0.00    0.0000000    0.0000000    0.0000000
H       -3.8975174340     0.7868729144     0.4405315872  0.00    0.0000000    0.0000000    0.0000000
H       -3.6424120172     0.5051489605    -1.2821660277  0.00    0.0000000    0.0000000    0.0000000
H       -3.7549788768    -0.8809630641    -0.1700399086  0.00    0.0000000    0.0000000    0.0000000
O        0.0036464761    -0.9092961594     0.3517105107  0.00    0.0000000    0.0000000    0.0000000
H        0.2112634809     0.0439489104     0.2595411214  0.00    0.0000000    0.0000000    0.0000000
C        2.7222073042     0.5244663723    -0.2423172434  0.00    0.0000000    0.0000000    0.0000000
C        2.5173080943     0.7378313650     1.0517465385  0.00    0.0000000    0.0000000    0.0000000
H        2.2441266024     1.7143263239     1.4294174736  0.00    0.0000000    0.0000000    0.0000000
H        2.6225175612    -0.0635270550     1.7746024955  0.00    0.0000000    0.0000000    0.0000000
H        2.6090567891     1.3535145656    -0.9349171348  0.00    0.0000000    0.0000000    0.0000000
C        3.1094639058    -0.7913731061    -0.8387445266  0.00    0.0000000    0.0000000    0.0000000
H        3.1854695549    -1.5633142639    -0.0740458306  0.00    0.0000000    0.0000000    0.0000000
H        2.3760901907    -1.1101903246    -1.5811601146  0.00    0.0000000    0.0000000    0.0000000
H        4.0693294352    -0.7129073185    -1.3526844908  0.00    0.0000000    0.0000000    0.0000000
18
E =    33.000000000000
C       -1.9350796077     0.2402364849    -0.0830329108  0.00    0.0000000    0.0000000    0.0000000
O       -1.2686111134     1.2417963953    -0.1224964953  0.00    0.0000000    0.0000000    0.0000000
O       -1.3863358386    -0.9634285280     0.1590077668  0.00    0.0000000    0.0000000    0.0000000
C       -3.4119712982     0.1282410388    -0.2822044060  0.00    0.0000000    0.0000000    0.0000000
H       -3.9074632653     0.7702168138     0.4431848643  0.00    0.0000000    0.0000000    0.0000000
H       -3.6528323514     0.4901763538    -1.2799402756  0.00    0.0000000    0.0000000    0.0000000
H       -3.7505523699    -0.8964356984    -0.1669984467  0.00    0.0000000    0.0000000    0.0000000
O        0.0080079672    -0.8918492315     0.3490817854  0.00    0.0000000    0.0000000    0.0000000
H        0.2074730109     0.0629645374     0.2565396299  0.00    0.0000000    0.0000000    0.0000000
C        2.7266082169     0.5174248031    -0.2397172060  0.00    0.0000000    0.0000000    0.0000000
C        2.5245349374     0.7275046782     1.0552933639  0.00    0.0000000    0.0000000    0.0000000
H        2.2499058478     1.7024580582     1.4359271585  0.00    0.0000000    0.0000000    0.0000000
H        2.6328277880    -0.0753907651     1.7759666826  0.00    0.0000000    0.0000000    0.0000000
H        2.6096830876     1.3476407934    -0.9303280867  0.00    0.0000000    0.0000000    0.0000000
C        3.1151605381    -0.7963506460    -0.8398258104  0.00    0.0000000    0.0000000    0.0000000
H        3.1924274561    -1.5702065692    -0.0771948324  0.00    0.0000000    0.0000000    0.0000000
H        2.3819055866    -1.1141465106    -1.5827740271  0.00    0.0000000    0.0000000    0.0000000
H        4.0747784229    -0.7153771732    -1.3538818534  0.00    0.0000000    0.0000000    0.0000000
18
E =    32.000000000000
C       -1.9402719242     0.2412242576    -0.0836134639  0.00    0.0000000    0.0000000    0.0000000
O       -1.2826688866     1.2485298218    -0.1251320754  0.00    0.0000000    0.0000000    0.0000000
O       -1.3808726298    -0.9573313275     0.1587044723  0.00    0.0000000    0.0000000    0.0000000
C       -3.4163300595     0.1156506626    -0.2801562465  0.00    0.0000000    0.0000000    0.0000000
H       -3.9165382093     0.7530252984     0.4460321955  0.00    0.0000000    0.0000000    0.0000000
H       -3.6623796773     0.4748917379    -1.2775701665  0.00    0.0000000    0.0000000    0.0000000
H       -3.7447935153    -0.9121531488    -0.1639658860  0.00    0.0000000    0.0000000    0.0000000
O        0.0130664362    -0.8737340204     0.3465347399  0.00    0.0000000    0.0000000    0.0000000
H        0.2041664915     0.0825581548     0.2533614115  0.00    0.0000000    0.0000000    0.0000000
C        2.7293420877     0.5099684445    -0.2371508082  0.00    0.0000000    0.0000000    0.0000000
C        2.5301181001     0.7165835978     1.0588231149  0.00    0.0000000    0.0000000    0.0000000
H        2.2530888926     1.6896971540     1.4424538195  0.00    0.0000000    0.0000000    0.0000000
H        2.6421610317    -0.0877647034     1.7772664326  0.00    0.0000000    0.0000000    0.0000000
H        2.6077081396     1.3411903129    -0.9257379994  0.00    0.0000000    0.0000000    0.0000000
C        3.1201590246    -0.8014235451    -0.8410163446  0.00    0.0000000    0.0000000    0.0000000
H        3.1985028728    -1.5773495148    -0.0806047561  0.00    0.0000000    0.0000000    0.0000000
H        2.3876700329    -1.1183178798    -1.5851049498  0.00    0.0000000    0.0000000    0.0000000
H        4.0798394714    -0.7173982893    -1.3544931276  0.00    0.0000000    0.0000000    0.0000000
18
E =    31.000000000000
C       -1.9446036280     0.2423249924    -0.0841728584  0.00    0.0000000    0.0000000    0.0000000
O       -1.2960253273     1.2554878549    -0.1277362833  0.00    0.0000000    0.0000000    0.0000000
O       -1.3744463427    -0.9510408933     0.1584450409  0.00    0.0000000    0.0000000    0.0000000
C       -3.4197622137     0.1029215701    -0.2780855700  0.00    0.0000000    0.0000000    0.0000000
H       -3.9247576390     0.7355250786     0.4489660967  0.00    0.0000000    0.0000000    0.0000000
H       -3.6711119195     0.4594135663    -1.2751552037  0.00    0.0000000    0.0000000    0.0000000
H       -3.7377950763    -0.9281176480    -0.1609149726  0.00    0.0000000    0.0000000    0.0000000
O        0.0190442525    -0.8552005018     0.3440889819  0.00    0.0000000    0.0000000    0.0000000
H        0.2016824900     0.1025584839     0.2500796612  0.00    0.0000000    0.0000000    0.0000000
C        2.7301677818     0.5021298845    -0.2346742148  0.00    0.0000000    0.0000000    0.0000000
C        2.5337420119     0.7051995515     1.0622442500  0.00    0.0000000    0.0000000    0.0000000
H        2.2533172868     1.6761947434     1.4488153657  0.00    0.0000000    0.0000000    0.0000000
H        2.6501794925    -0.1004729776     1.7784897109  0.00    0.0000000    0.0000000    0.0000000
H        2.6029253069     1.3341783827    -0.9212930195  0.00    0.0000000    0.0000000    0.0000000
C        3.1242407301    -0.8065722944    -0.8422537738  0.00    0.0000000    0.0000000    0.0000000
H        3.2033853805    -1.5846776656    -0.0841497018  0.00    0.0000000    0.0000000    0.0000000
H        2.3932364211    -1.1227232029    -1.5880926474  0.00    0.0000000    0.0000000    0.0000000
H        4.0843355428    -0.7190110277    -1.3543714072  0.00    0.0000000    0.0000000    0.0000000
18
E =    30.000000000000
C       -1.9479618941     0.2435024527    -0.0846763349  0.00    0.0000000    0.0000000    0.0000000
O       -1.3085089247     1.2624028982    -0.1302207829  0.00    0.0000000    0.0000000    0.0000000
O       -1.3671074601    -0.9445168550     0.1581423930  0.00    0.0000000    0.0000000    0.0000000
C       -3.4219945492     0.0901770328    -0.2759534350  0.00    0.0000000    0.0000000    0.0000000
H       -3.9317606146     0.7178459120     0.4519995730  0.00    0.0000000    0.0000000    0.0000000
H       -3.6786002288     0.4438144403    -1.2726621579  0.00    0.0000000    0.0000000    0.0000000
H       -3.7293931240    -0.9439769925    -0.1578503428  0.00    0.0000000    0.0000000    0.0000000
O        0.0257202874    -0.8363627378     0.3417351981  0.00    0.0000000    0.0000000    0.0000000
H        0.1998470699     0.1227480437     0.2467230276  0.00    0.0000000    0.0000000    0.0000000
C        2.7290495795     0.4940095105    -0.2323347914  0.00    0.0000000    0.0000000    0.0000000
C        2.5352746017     0.6935263386     1.0654969658  0.00    0.0000000    0.0000000    0.0000000
H        2.2504534758     1.6621381952     1.4549002879  0.00    0.0000000    0.0000000    0.0000000
H        2.6566690141    -0.1133046325     1.7795991406  0.00    0.0000000    0.0000000    0.0000000
H        2.5953792065     1.3266377442    -0.9170689524  0.00    0.0000000    0.0000000    0.0000000
C        3.1273063480    -0.8117740571    -0.8434944940  0.00    0.0000000    0.0000000    0.0000000
H        3.2069766018    -1.5921058745    -0.0877383021  0.00    0.0000000    0.0000000    0.0000000
H        2.3984734974    -1.1273239644    -1.5916914192  0.00    0.0000000    0.0000000    0.0000000
H        4.0881952339    -0.7202662754    -1.3534922093  0.00    0.0000000    0.0000000    0.0000000
18
E =    29.000000000000
C       -1.9503040128     0.2447643574    -0.0851080810  0.00    0.0000000    0.0000000    0.0000000
O       -1.3199187917     1.2692446326    -0.1325286933  0.00    0.0000000    0.0000000    0.0000000
O       -1.3589759489    -0.9378928601     0.1578108785  0.00    0.0000000    0.0000000    0.0000000
C       -3.4230252414     0.0775745419    -0.2737898540  0.00    0.0000000    0.0000000    0.0000000
H       -3.9375322094     0.7002660400     0.4550796983  0.00    0.0000000    0.0000000    0.0000000
H       -3.6848454583     0.4282716596    -1.2701520955  0.00    0.0000000    0.0000000    0.0000000
H       -3.7196782973    -0.9595954111    -0.1547582309  0.00    0.0000000    0.0000000    0.0000000
O        0.0330628737    -0.8175379290     0.3394410299  0.00    0.0000000    0.0000000    0.0000000
H        0.1987012810     0.1428513328     0.2434511220  0.00    0.0000000    0.0000000    0.0000000
C        2.7260371576     0.4857476800    -0.2301652683  0.00    0.0000000    0.0000000    0.0000000
C        2.5346777883     0.6817565504     1.0685057014  0.00    0.0000000    0.0000000    0.0000000
H        2.2444993453     1.6477374397     1.4605875190  0.00    0.0000000    0.0000000    0.0000000
H        2.6614021255    -0.1260586015     1.7805448770  0.00    0.0000000    0.0000000    0.0000000
H        2.5852476564     1.3186788869    -0.9131616300  0.00    0.0000000    0.0000000    0.0000000
C        3.1292787535    -0.8169636046    -0.8446738589  0.00    0.0000000    0.0000000    0.0000000
H        3.2091147197    -1.5995101403    -0.0912409905  0.00    0.0000000    0.0000000    0.0000000
H        2.4032322968    -1.1320540686    -1.5957626491  0.00    0.0000000    0.0000000    0.0000000
H        4.0912809650    -0.7212670572    -1.3518441081  0.00    0.0000000    0.0000000    0.0000000
18
E =    28.000000000000
C       -1.9516184397     0.2460828613    -0.0854610462  0.00    0.0000000    0.0000000    0.0000000
O       -1.3301085755     1.2759383969    -0.1346088941  0.00    0.0000000    0.0000000    0.0000000
O       -1.3502044033    -0.9312797462     0.1574604000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4228914282     0.0652773420    -0.2716241334  0.00    0.0000000    0.0000000    0.0000000
H       -3.9420751572     0.6829521822     0.4581636949  0.00    0.0000000    0.0000000    0.0000000
H       -3.6897913495     0.4129599556    -1.2676546919  0.00    0.0000000    0.0000000    0.0000000
H       -3.7087659983    -0.9748177719    -0.1516819405  0.00    0.0000000    0.0000000    0.0000000
O        0.0409200043    -0.7989965051     0.3372002115  0.00    0.0000000    0.0000000    0.0000000
H        0.1982303552     0.1625986461     0.2402823406  0.00    0.0000000    0.0000000    0.0000000
C        2.7212876178     0.4774642314    -0.2281993014  0.00    0.0000000    0.0000000    0.0000000
C        2.5320250924     0.6700863406     1.0712263885  0.00    0.0000000    0.0000000    0.0000000
H        2.2355876666     1.6332189351     1.4657422975  0.00    0.0000000    0.0000000    0.0000000
H        2.6643280305    -0.1385159500     1.7813540186  0.00    0.0000000    0.0000000    0.0000000
H        2.5727803281     1.3103692019    -0.9096367565  0.00    0.0000000    0.0000000    0.0000000
C        3.1301532317    -0.8220576809    -0.8457572214  0.00    0.0000000    0.0000000    0.0000000
H        3.2098303242    -1.6068052508    -0.0945798121  0.00    0.0000000    0.0000000    0.0000000
H        2.4074162469    -1.1368196442    -1.6001502605  0.00    0.0000000    0.0000000    0.0000000
H        4.0935287024    -0.7220659084    -1.3494810663  0.00    0.0000000    0.0000000    0.0000000
18
E =    27.000000000000
C       -1.9520068460     0.2474663075    -0.0857285355  0.00    0.0000000    0.0000000    0.0000000
O       -1.3390758109     1.2824040059    -0.1364342152  0.00    0.0000000    0.0000000    0.0000000
O       -1.3410071362    -0.9247138371     0.1570737612  0.00    0.0000000    0.0000000    0.0000000
C       -3.4216406073     0.0533616519    -0.2694991533  0.00    0.0000000    0.0000000    0.0000000
H       -3.9454082548     0.6659717192     0.4612020671  0.00    0.0000000    0.0000000    0.0000000
H       -3.6934353419     0.3979490833    -1.2652140642  0.00    0.0000000    0.0000000    0.0000000
H       -3.6966890090    -0.9895050980    -0.1486945081  0.00    0.0000000    0.0000000    0.0000000
O        0.0490635617    -0.7809802724     0.3350659738  0.00    0.0000000    0.0000000    0.0000000
H        0.1983207052     0.1816698557     0.2371396814  0.00    0.0000000    0.0000000    0.0000000
C        2.7150878082     0.4692760710    -0.2264342464  0.00    0.0000000    0.0000000    0.0000000
C        2.5276175218     0.6587069001     1.0736540185  0.00    0.0000000    0.0000000    0.0000000
H        2.2239740380     1.6187050619     1.4703637477  0.00    0.0000000    0.0000000    0.0000000
H        2.6655887563    -0.1504630743     1.7820297430  0.00    0.0000000    0.0000000    0.0000000
H        2.5583126996     1.3017967671    -0.9064961560  0.00    0.0000000    0.0000000    0.0000000
C        3.1300218266    -0.8270161995    -0.8467610711  0.00    0.0000000    0.0000000    0.0000000
H        3.2092271680    -1.6139323415    -0.0978040154  0.00    0.0000000    0.0000000    0.0000000
H        2.4109739335    -1.1414963249    -1.6047530445  0.00    0.0000000    0.0000000    0.0000000
H        4.0949751005    -0.7226950654    -1.3465593007  0.00    0.0000000    0.0000000    0.0000000
18
E =    26.000000000000
C       -1.9515101156     0.2489284060    -0.0859240126  0.00    0.0000000    0.0000000    0.0000000
O       -1.3467849845     1.2887011837    -0.1379838583  0.00    0.0000000    0.0000000    0.0000000
O       -1.3314678865    -0.9183396314     0.1567016176  0.00    0.0000000    0.0000000    0.0000000
C       -3.4194911423     0.0419102954    -0.2675050083  0.00    0.0000000    0.0000000    0.0000000
H       -3.9477595437     0.6495350604     0.4640909673  0.00    0.0000000    0.0000000    0.0000000
H       -3.6959588335     0.3834164075    -1.2629582664  0.00    0.0000000    0.0000000    0.0000000
H       -3.6837759583    -1.0036815674    -0.1458418052  0.00    0.0000000    0.0000000    0.0000000
O        0.0575308526    -0.7636531194     0.3331220480  0.00    0.0000000    0.0000000    0.0000000
H        0.1990689003     0.1999995052     0.2340908562  0.00    0.0000000    0.0000000    0.0000000
C        2.7075724815     0.4612595701    -0.2249109861  0.00    0.0000000    0.0000000    0.0000000
C        2.5215080253     0.6476662435     1.0757773814  0.00    0.0000000    0.0000000    0.0000000
H        2.2099652476     1.6043963614     1.4744132130  0.00    0.0000000    0.0000000    0.0000000
H        2.6652128724    -0.1618916795     1.7825573757  0.00    0.0000000    0.0000000    0.0000000
H        2.5422606454     1.2931578290    -0.9037943207  0.00    0.0000000    0.0000000    0.0000000
C        3.1289544551    -0.8317938263    -0.8477026090  0.00    0.0000000    0.0000000    0.0000000
H        3.2074360868    -1.6208209149    -0.1008760616  0.00    0.0000000    0.0000000    0.0000000
H        2.4138523939    -1.1460647213    -1.6095078398  0.00    0.0000000    0.0000000    0.0000000
H        4.0956252820    -0.7231732235    -1.3432652150  0.00    0.0000000    0.0000000    0.0000000
18
E =    25.000000000000
C       -1.9503163645     0.2503922063    -0.0860521386  0.00    0.0000000    0.0000000    0.0000000
O       -1.3534185770     1.2946947591    -0.1392930026  0.00    0.0000000    0.0000000    0.0000000
O       -1.3217926731    -0.9121010869     0.1563082741  0.00    0.0000000    0.0000000    0.0000000
C       -3.4164581503     0.0309128357    -0.2655921250  0.00    0.0000000    0.0000000    0.0000000
H       -3.9490952841     0.6335749035     0.4668609528  0.00    0.0000000    0.0000000    0.0000000
H       -3.6973270292     0.3692791443    -1.2608254390  0.00    0.0000000    0.0000000    0.0000000
H       -3.6700911546    -1.0172179949    -0.1431301041  0.00    0.0000000    0.0000000    0.0000000
O        0.0659766274    -0.7469751104     0.3313517055  0.00    0.0000000    0.0000000    0.0000000
H        0.2000241809     0.2175678956     0.2311105950  0.00    0.0000000    0.0000000    0.0000000
C        2.6991936755     0.4534839880    -0.2235690159  0.00    0.0000000    0.0000000    0.0000000
C        2.5141536051     0.6370236192     1.0776038717  0.00    0.0000000    0.0000000    0.0000000
H        2.1939694668     1.5902076474     1.4779850794  0.00    0.0000000    0.0000000    0.0000000
H        2.6633656946    -0.1728117310     1.7829120512  0.00    0.0000000    0.0000000    0.0000000
H        2.5251185474     1.2844598737    -0.9014366183  0.00    0.0000000    0.0000000    0.0000000
C        3.1271376249    -0.8363682663    -0.8485928082  0.00    0.0000000    0.0000000    0.0000000
H        3.2047065245    -1.6274709968    -0.1038472404  0.00    0.0000000    0.0000000    0.0000000
H        2.4160997109    -1.1504327812    -1.6142847828  0.00    0.0000000    0.0000000    0.0000000
H        4.0955745561    -0.7235976796    -1.3397253668  0.00    0.0000000    0.0000000    0.0000000
18
E =    24.000000000000
C       -1.9485321313     0.2518075578    -0.0861173310  0.00    0.0000000    0.0000000    0.0000000
O       -1.3591066065     1.3003809239    -0.1403846986  0.00    0.0000000    0.0000000    0.0000000
O       -1.3120119864    -0.9060808995     0.1559425624  0.00    0.0000000    0.0000000    0.0000000
C       -3.4127494918     0.0203874749    -0.2637974962  0.00    0.0000000    0.0000000    0.0000000
H       -3.9495468783     0.6182313159     0.4694735848  0.00    0.0000000    0.0000000    0.0000000
H       -3.6976775966     0.3556811195    -1.2588451825  0.00    0.0000000    0.0000000    0.0000000
H       -3.6560153255    -1.0300932481    -0.1405915526  0.00    0.0000000    0.0000000    0.0000000
O        0.0744705404    -0.7308122758     0.3297467844  0.00    0.0000000    0.0000000    0.0000000
H        0.2010899635     0.2345490654     0.2281724350  0.00    0.0000000    0.0000000    0.0000000
C        2.6901236521     0.4459464883    -0.2224064445  0.00    0.0000000    0.0000000    0.0000000
C        2.5057071061     0.6267199487     1.0791741213  0.00    0.0000000    0.0000000    0.0000000
H        2.1763585427     1.5761709053     1.4810991693  0.00    0.0000000    0.0000000    0.0000000
H        2.6600066732    -0.1833579207     1.7830728327  0.00    0.0000000    0.0000000    0.0000000
H        2.5072338138     1.2757897365    -0.8993864135  0.00    0.0000000    0.0000000    0.0000000
C        3.1246673245    -0.8407485453    -0.8494445374  0.00    0.0000000    0.0000000    0.0000000
H        3.2012087467    -1.6338697369    -0.1067094541  0.00    0.0000000    0.0000000    0.0000000
H        2.4177351229    -1.1546232427    -1.6190067672  0.00    0.0000000    0.0000000    0.0000000
H        4.0948718532    -0.7239491370    -1.3360734243  0.00    0.0000000    0.0000000    0.0000000
18
E =    23.000000000000
C       -1.9462636338     0.2531087455    -0.0861145139  0.00    0.0000000    0.0000000    0.0000000
O       -1.3639895185     1.3057280961    -0.1412937224  0.00    0.0000000    0.0000000    0.0000000
O       -1.3021610918    -0.9002992577     0.1556312125  0.00    0.0000000    0.0000000    0.0000000
C       -3.4084816846     0.0103509798    -0.2621065124  0.00    0.0000000    0.0000000    0.0000000
H       -3.9491912331     0.6035819966     0.4719368756  0.00    0.0000000    0.0000000    0.0000000
H       -3.6970887929     0.3427045992    -1.2570164453  0.00    0.0000000    0.0000000    0.0000000
H       -3.6418185414    -1.0422933416    -0.1382382747  0.00    0.0000000    0.0000000    0.0000000
O        0.0829706426    -0.7150528825     0.3282436099  0.00    0.0000000    0.0000000    0.0000000
H        0.2020490346     0.2511067820     0.2252754539  0.00    0.0000000    0.0000000    0.0000000
C        2.6805246287     0.4386296106    -0.2213796710  0.00    0.0000000    0.0000000    0.0000000
C        2.4963512028     0.6167302943     1.0805248572  0.00    0.0000000    0.0000000    0.0000000
H        2.1574483428     1.5622934364     1.4837873578  0.00    0.0000000    0.0000000    0.0000000
H        2.6553910234    -0.1935266725     1.7831149190  0.00    0.0000000    0.0000000    0.0000000
H        2.4888003480     1.2671512087    -0.8975976906  0.00    0.0000000    0.0000000    0.0000000
C        3.1216720316    -0.8449501565    -0.8502704798  0.00    0.0000000    0.0000000    0.0000000
H        3.1971229877    -1.6400139158    -0.1094773677  0.00    0.0000000    0.0000000    0.0000000
H        2.4188235395    -1.1586518383    -1.6236322486  0.00    0.0000000    0.0000000    0.0000000
H        4.0936179142    -0.7242461721    -1.3323875595  0.00    0.0000000    0.0000000    0.0000000
18
E =    22.000000000000
C       -1.9436092915     0.2542337398    -0.0860384387  0.00    0.0000000    0.0000000    0.0000000
O       -1.3681799310     1.3106752201    -0.1420271550  0.00    0.0000000    0.0000000    0.0000000
O       -1.2922685798    -0.8947632215     0.1553843708  0.00    0.0000000    0.0000000    0.0000000
C       -3.4037379528     0.0007822457    -0.2605279869  0.00    0.0000000    0.0000000    0.0000000
H       -3.9479981892     0.5896824999     0.4742563539  0.00    0.0000000    0.0000000    0.0000000
H       -3.6955341204     0.3304442112    -1.2553120747  0.00    0.0000000    0.0000000    0.0000000
H       -3.6277460742    -1.0537896866    -0.1361109657  0.00    0.0000000    0.0000000    0.0000000
O        0.0914150594    -0.6995347833     0.3267945264  0.00    0.0000000    0.0000000    0.0000000
H        0.2027211565     0.2673809458     0.2224075422  0.00    0.0000000    0.0000000    0.0000000
C        2.6705470961     0.4315276334    -0.2204779575  0.00    0.0000000    0.0000000    0.0000000
C        2.4862995344     0.6070296978     1.0816977736  0.00    0.0000000    0.0000000    0.0000000
H        2.1374941967     1.5485240801     1.4860642315  0.00    0.0000000    0.0000000    0.0000000
H        2.6496293425    -0.2033902054     1.7830682100  0.00    0.0000000    0.0000000    0.0000000
H        2.4699657759     1.2584934596    -0.8960319828  0.00    0.0000000    0.0000000    0.0000000
C        3.1182133202    -0.8489916497    -0.8510633108  0.00    0.0000000    0.0000000    0.0000000
H        3.1925197197    -1.6459434879    -0.1121725100  0.00    0.0000000    0.0000000    0.0000000
H        2.4194203641    -1.1625399036    -1.6281734168  0.00    0.0000000    0.0000000    0.0000000
H        4.0918575319    -0.7244872940    -1.3286586760  0.00    0.0000000    0.0000000    0.0000000
18
E =    21.000000000000
C       -1.9405895047     0.2550874844    -0.0858882818  0.00    0.0000000    0.0000000    0.0000000
O       -1.3717412149     1.3152319477    -0.1425942969  0.00    0.0000000    0.0000000    0.0000000
O       -1.2822434652    -0.8895592982     0.1552243197  0.00    0.0000000    0.0000000    0.0000000
C       -3.3986573389    -0.0082645115    -0.2590924632  0.00    0.0000000    0.0000000    0.0000000
H       -3.9460320686     0.5767309431     0.4764005685  0.00    0.0000000    0.0000000    0.0000000
H       -3.6930938931     0.3191036953    -1.2537812542  0.00    0.0000000    0.0000000    0.0000000
H       -3.6141701852    -1.0645726423    -0.1342806432  0.00    0.0000000    0.0000000    0.0000000
O        0.0999471283    -0.6840924185     0.3254118518  0.00    0.0000000    0.0000000    0.0000000
H        0.2029620113     0.2836175467     0.2195300854  0.00    0.0000000    0.0000000    0.0000000
C        2.6601400964     0.4245921098    -0.2196846643  0.00    0.0000000    0.0000000    0.0000000
C        2.4755370208     0.5975568055     1.0827079830  0.00    0.0000000    0.0000000    0.0000000
H        2.1167173729     1.5349818752     1.4880184569  0.00    0.0000000    0.0000000    0.0000000
H        2.6427685605    -0.2130293441     1.7829237182  0.00    0.0000000    0.0000000    0.0000000
H        2.4508072536     1.2499276972    -0.8946820933  0.00    0.0000000    0.0000000    0.0000000
C        3.1143031882    -0.8529050688    -0.8518426283  0.00    0.0000000    0.0000000    0.0000000
H        3.1874840892    -1.6516866718    -0.1147937758  0.00    0.0000000    0.0000000    0.0000000
H        2.4195548864    -1.1663250467    -1.6326651663  0.00    0.0000000    0.0000000    0.0000000
H        4.0896224254    -0.7246447300    -1.3249418692  0.00    0.0000000    0.0000000    0.0000000
18
E =    20.000000000000
C       -1.9372777515     0.2555863184    -0.0856527273  0.00    0.0000000    0.0000000    0.0000000
O       -1.3747715662     1.3192708614    -0.1430029851  0.00    0.0000000    0.0000000    0.0000000
O       -1.2721800820    -0.8846871383     0.1551324767  0.00    0.0000000    0.0000000    0.0000000
C       -3.3932079253    -0.0168059480    -0.2577758601  0.00    0.0000000    0.0000000    0.0000000
H       -3.9430686449     0.5647796319     0.4784213998  0.00    0.0000000    0.0000000    0.0000000
H       -3.6895547304     0.3087899954    -1.2523790218  0.00    0.0000000    0.0000000    0.0000000
H       -3.6012806718    -1.0745648068    -0.1327834066  0.00    0.0000000    0.0000000    0.0000000
O        0.1083494816    -0.6685560543     0.3240307308  0.00    0.0000000    0.0000000    0.0000000
H        0.2024409652     0.3000081121     0.2166080314  0.00    0.0000000    0.0000000    0.0000000
C        2.6495004500     0.4178218091    -0.2189629218  0.00    0.0000000    0.0000000    0.0000000
C        2.4643658603     0.5883478708     1.0835912805  0.00    0.0000000    0.0000000    0.0000000
H        2.0954141520     1.5215546931     1.4896847761  0.00    0.0000000    0.0000000    0.0000000
H        2.6347823854    -0.2224941615     1.7826917651  0.00    0.0000000    0.0000000    0.0000000
H        2.4314572739     1.2413550454    -0.8934950090  0.00    0.0000000    0.0000000    0.0000000
C        3.1099884835    -0.8566967286    -0.8526054586  0.00    0.0000000    0.0000000    0.0000000
H        3.1820685375    -1.6572786566    -0.1173799509  0.00    0.0000000    0.0000000    0.0000000
H        2.4193186784    -1.1700102831    -1.6371043686  0.00    0.0000000    0.0000000    0.0000000
H        4.0869460241    -0.7246713229    -1.3211995226  0.00    0.0000000    0.0000000    0.0000000
18
E =    19.000000000000
C       -1.9337107325     0.2555798905    -0.0853246186  0.00    0.0000000    0.0000000    0.0000000
O       -1.3773574902     1.3227082763    -0.1432496601  0.00    0.0000000    0.0000000    0.0000000
O       -1.2619641733    -0.8802188982     0.1551467191  0.00    0.0000000    0.0000000    0.0000000
C       -3.3874855921    -0.0247530047    -0.2565925703  0.00    0.0000000    0.0000000    0.0000000
H       -3.9390546273     0.5541719754     0.4802829483  0.00    0.0000000    0.0000000    0.0000000
H       -3.6848849159     0.2998252836    -1.2511028939  0.00    0.0000000    0.0000000    0.0000000
H       -3.5896187450    -1.0836697244    -0.1316896748  0.00    0.0000000    0.0000000    0.0000000
O        0.1167369233    -0.6526944966     0.3225768435  0.00    0.0000000    0.0000000    0.0000000
H        0.2009460889     0.3168241133     0.2135856815  0.00    0.0000000    0.0000000    0.0000000
C        2.6386206492     0.4111847297    -0.2183029478  0.00    0.0000000    0.0000000    0.0000000
C        2.4527866425     0.5793577511     1.0843895852  0.00    0.0000000    0.0000000    0.0000000
H        2.0738911987     1.5083415532     1.4911235655  0.00    0.0000000    0.0000000    0.0000000
H        2.6255280292    -0.2319119870     1.7823558711  0.00    0.0000000    0.0000000    0.0000000
H        2.4120095521     1.2327903557    -0.8924362938  0.00    0.0000000    0.0000000    0.0000000
C        3.1052558110    -0.8604018327    -0.8533475278  0.00    0.0000000    0.0000000    0.0000000
H        3.1763111996    -1.6627560963    -0.1199163439  0.00    0.0000000    0.0000000    0.0000000
H        2.4186944843    -1.1737277470    -1.6414912099  0.00    0.0000000    0.0000000    0.0000000
H        4.0837770569    -0.7245453310    -1.3174237544  0.00    0.0000000    0.0000000    0.0000000
18
E =    18.000000000000
C       -1.9299055879     0.2549450307    -0.0848740369  0.00    0.0000000    0.0000000    0.0000000
O       -1.3795470386     1.3254565668    -0.1433418964  0.00    0.0000000    0.0000000    0.0000000
O       -1.2515441581    -0.8762242257     0.1552590984  0.00    0.0000000    0.0000000    0.0000000
C       -3.3815779932    -0.0320492862    -0.2555514555  0.00    0.0000000    0.0000000    0.0000000
H       -3.9339190232     0.5451411343     0.4819795258  0.00    0.0000000    0.0000000    0.0000000
H       -3.6790284542     0.2924703027    -1.2499698118  0.00    0.0000000    0.0000000    0.0000000
H       -3.5796949155    -1.0917728889    -0.1311101943  0.00    0.0000000    0.0000000    0.0000000
O        0.1251473443    -0.6363126151     0.3210094426  0.00    0.0000000    0.0000000    0.0000000
H        0.1982190016     0.3342784071     0.2104458065  0.00    0.0000000    0.0000000    0.0000000
C        2.6275187302     0.4046860340    -0.2176714736  0.00    0.0000000    0.0000000    0.0000000
C        2.4408822034     0.5705622826     1.0851107394  0.00    0.0000000    0.0000000    0.0000000
H        2.0525279238     1.4954528516     1.4924200004  0.00    0.0000000    0.0000000    0.0000000
H        2.6149636334    -0.2413538146     1.7819373622  0.00    0.0000000    0.0000000    0.0000000
H        2.3926055140     1.2242696292    -0.8914752259  0.00    0.0000000    0.0000000    0.0000000
C        3.1000657742    -0.8640608521    -0.8540534700  0.00    0.0000000    0.0000000    0.0000000
H        3.1702606819    -1.6681564885    -0.1224218337  0.00    0.0000000    0.0000000    0.0000000
H        2.4176881834    -1.1775339025    -1.6458291979  0.00    0.0000000    0.0000000    0.0000000
H        4.0800826674    -0.7241660092    -1.3136095000  0.00    0.0000000    0.0000000    0.0000000
18
E =    17.000000000000
C       -1.9258971160     0.2535744539    -0.0843268589  0.00    0.0000000    0.0000000    0.0000000
O       -1.3814812166     1.3274274409    -0.1432748339  0.00    0.0000000    0.0000000    0.0000000
O       -1.2408559636    -0.8726782403     0.1554891810  0.00    0.0000000    0.0000000    0.0000000
C       -3.3755906005    -0.0386416718    -0.2546879292  0.00    0.0000000    0.0000000    0.0000000
H       -3.9276329165     0.5378522719     0.4834497534  0.00    0.0000000    0.0000000    0.0000000
H       -3.6719934081     0.2869357515    -1.2489682105  0.00    0.0000000    0.0000000    0.0000000
H       -3.5719362916    -1.0988160442    -0.1311188042  0.00    0.0000000    0.0000000    0.0000000
O        0.1335590178    -0.6193165151     0.3192966232  0.00    0.0000000    0.0000000    0.0000000
H        0.1941720513     0.3523841172     0.2071932858  0.00    0.0000000    0.0000000    0.0000000
C        2.6162589887     0.3982841313    -0.2170396049  0.00    0.0000000    0.0000000    0.0000000
C        2.4288815110     0.5620046219     1.0858244168  0.00    0.0000000    0.0000000    0.0000000
H        2.0316469419     1.4829175194     1.4936626082  0.00    0.0000000    0.0000000    0.0000000
H        2.6031128043    -0.2509014357     1.7814161556  0.00    0.0000000    0.0000000    0.0000000
H        2.3733795313     1.2158087537    -0.8905601993  0.00    0.0000000    0.0000000    0.0000000
C        3.0943930275    -0.8676921692    -0.8547507844  0.00    0.0000000    0.0000000    0.0000000
H        3.1639526855    -1.6735179381    -0.1249161122  0.00    0.0000000    0.0000000    0.0000000
H        2.4163547355    -1.1815332397    -1.6501655859  0.00    0.0000000    0.0000000    0.0000000
H        4.0758304986    -0.7234390855    -1.3096889023  0.00    0.0000000    0.0000000    0.0000000
18
E =    16.000000000000
C       -1.9217784721     0.2514532732    -0.0836863168  0.00    0.0000000    0.0000000    0.0000000
O       -1.3832474965     1.3287052367    -0.1430782831  0.00    0.0000000    0.0000000    0.0000000
O       -1.2298517312    -0.8696514341     0.1558300986  0.00    0.0000000    0.0000000    0.0000000
C       -3.3696596681    -0.0445034144    -0.2540379047  0.00    0.0000000    0.0000000    0.0000000
H       -3.9202951313     0.5324124834     0.4846549354  0.00    0.0000000    0.0000000    0.0000000
H       -3.6639186985     0.2833228735    -1.2480943553  0.00    0.0000000    0.0000000    0.0000000
H       -3.5667111474    -1.1046771637    -0.1318100512  0.00    0.0000000    0.0000000    0.0000000
O        0.1421315403    -0.6017182529     0.3175147195  0.00    0.0000000    0.0000000    0.0000000
H        0.1890277413     0.3712130405     0.2038647237  0.00    0.0000000    0.0000000    0.0000000
C        2.6047874076     0.3919562837    -0.2164145210  0.00    0.0000000    0.0000000    0.0000000
C        2.4168382806     0.5536389953     1.0865338859  0.00    0.0000000    0.0000000    0.0000000
H        2.0115293073     1.4708926917     1.4949077201  0.00    0.0000000    0.0000000    0.0000000
H        2.5901373368    -0.2605369757     1.7808282055  0.00    0.0000000    0.0000000    0.0000000
H        2.3545033826     1.2075447117    -0.8896969383  0.00    0.0000000    0.0000000    0.0000000
C        3.0882674934    -0.8713109268    -0.8554394289  0.00    0.0000000    0.0000000    0.0000000
H        3.1574899915    -1.6788625774    -0.1274381539  0.00    0.0000000    0.0000000    0.0000000
H        2.4147823782    -1.1857493677    -1.6545812299  0.00    0.0000000    0.0000000    0.0000000
H        4.0710745912    -0.7222058784    -1.3056526944  0.00    0.0000000    0.0000000    0.0000000
18
E =    15.000000000000
C       -1.9175279174     0.2485830541    -0.0829588183  0.00    0.0000000    0.0000000    0.0000000
O       -1.3849436837     1.3292427295    -0.1427594751  0.00    0.0000000    0.0000000    0.0000000
O       -1.2185430383    -0.8670495167     0.1562498209  0.00    0.0000000    0.0000000    0.0000000
C       -3.3638287992    -0.0496626871    -0.2535735400  0.00    0.0000000    0.0000000    0.0000000
H       -3.9120570878     0.5287778233     0.4855689791  0.00    0.0000000    0.0000000    0.0000000
H       -3.6549790596     0.2816135954    -1.2473019223  0.00    0.0000000    0.0000000    0.0000000
H       -3.5641799505    -1.1094599916    -0.1331652406  0.00    0.0000000    0.0000000    0.0000000
O        0.1507644460    -0.5835298317     0.3156301843  0.00    0.0000000    0.0000000    0.0000000
H        0.1830170488     0.3905749998     0.2004943666  0.00    0.0000000    0.0000000    0.0000000
C        2.5932240757     0.3857074649    -0.2157746566  0.00    0.0000000    0.0000000    0.0000000
C        2.4048976532     0.5454988945     1.0872753273  0.00    0.0000000    0.0000000    0.0000000
H        1.9923462094     1.4593310888     1.4961795926  0.00    0.0000000    0.0000000    0.0000000
H        2.5761797415    -0.2702653630     1.7801990773  0.00    0.0000000    0.0000000    0.0000000
H        2.3361818154     1.1994168758    -0.8888536591  0.00    0.0000000    0.0000000    0.0000000
C        3.0816946153    -0.8749317304    -0.8561187833  0.00    0.0000000    0.0000000    0.0000000
H        3.1509168979    -1.6842191942    -0.1299815329  0.00    0.0000000    0.0000000    0.0000000
H        2.4130689222    -1.1902757345    -1.6590884122  0.00    0.0000000    0.0000000    0.0000000
H        4.0657762060    -0.7203991930    -1.3014449906  0.00    0.0000000    0.0000000    0.0000000
18
E =    14.000000000000
C       -1.9131873609     0.2449593485    -0.0821643041  0.00    0.0000000    0.0000000    0.0000000
O       -1.3864970862     1.3290191197    -0.1422873025  0.00    0.0000000    0.0000000    0.0000000
O       -1.2069036384    -0.8648761890     0.1567481764  0.00    0.0000000    0.0000000    0.0000000
C       -3.3582351926    -0.0540839461    -0.2533739547  0.00    0.0000000    0.0000000    0.0000000
H       -3.9032594260     0.5268551145     0.4860536131  0.00    0.0000000    0.0000000    0.0000000
H       -3.6455769196     0.2817123022    -1.2466072591  0.00    0.0000000    0.0000000    0.0000000
H       -3.5644886643    -1.1130500090    -0.1352371393  0.00    0.0000000    0.0000000    0.0000000
O        0.1595070011    -0.5647882666     0.3137336242  0.00    0.0000000    0.0000000    0.0000000
H        0.1762039193     0.4104210224     0.1970131323  0.00    0.0000000    0.0000000    0.0000000
C        2.5815437829     0.3795345069    -0.2151258551  0.00    0.0000000    0.0000000    0.0000000
C        2.3931300308     0.5376134419     1.0880528066  0.00    0.0000000    0.0000000    0.0000000
H        1.9741736753     1.4483237066     1.4975136137  0.00    0.0000000    0.0000000    0.0000000
H        2.5614064714    -0.2799852038     1.7795377439  0.00    0.0000000    0.0000000    0.0000000
H        2.3185128422     1.1915142542    -0.8880306174  0.00    0.0000000    0.0000000    0.0000000
C        3.0746504682    -0.8785511920    -0.8568234085  0.00    0.0000000    0.0000000    0.0000000
H        3.1442221011    -1.6895622784    -0.1325797366  0.00    0.0000000    0.0000000    0.0000000
H        2.4112435788    -1.1951431555    -1.6637614262  0.00    0.0000000    0.0000000    0.0000000
H        4.0599303720    -0.7179156004    -1.2970415096  0.00    0.0000000    0.0000000    0.0000000
18
E =    13.000000000000
C       -1.9087641568     0.2406053652    -0.0813253817  0.00    0.0000000    0.0000000    0.0000000
O       -1.3877572048     1.3280032017    -0.1416528171  0.00    0.0000000    0.0000000    0.0000000
O       -1.1948979221    -0.8631028861     0.1572990260  0.00    0.0000000    0.0000000    0.0000000
C       -3.3530002303    -0.0577676029    -0.2534455192  0.00    0.0000000    0.0000000    0.0000000
H       -3.8944059447     0.5264196125     0.4859404688  0.00    0.0000000    0.0000000    0.0000000
H       -3.6362405316     0.2834353912    -1.2459253547  0.00    0.0000000    0.0000000    0.0000000
H       -3.5676152307    -1.1154073321    -0.1380480634  0.00    0.0000000    0.0000000    0.0000000
O        0.1683518695    -0.5455299556     0.3118748679  0.00    0.0000000    0.0000000    0.0000000
H        0.1687442699     0.4307203323     0.1934441038  0.00    0.0000000    0.0000000    0.0000000
C        2.5697206690     0.3734561175    -0.2144883462  0.00    0.0000000    0.0000000    0.0000000
C        2.3815570998     0.5299971638     1.0888774196  0.00    0.0000000    0.0000000    0.0000000
H        1.9569339314     1.4378516422     1.4989193613  0.00    0.0000000    0.0000000    0.0000000
H        2.5459570276    -0.2896308320     1.7788952307  0.00    0.0000000    0.0000000    0.0000000
H        2.3016204156     1.1839366483    -0.8872454810  0.00    0.0000000    0.0000000    0.0000000
C        3.0670913805    -0.8821629909    -0.8575527550  0.00    0.0000000    0.0000000    0.0000000
H        3.1373898327    -1.6948366291    -0.1352031234  0.00    0.0000000    0.0000000    0.0000000
H        2.4093475977    -1.2003625386    -1.6686734785  0.00    0.0000000    0.0000000    0.0000000
H        4.0534464384    -0.7146700394    -1.2924295023  0.00    0.0000000    0.0000000    0.0000000
18
E =    12.000000000000
C       -1.9041945903     0.2355349331    -0.0804513263  0.00    0.0000000    0.0000000    0.0000000
O       -1.3886083376     1.3261582886    -0.1408394488  0.00    0.0000000    0.0000000    0.0000000
O       -1.1823416406    -0.8616732774     0.1579449307  0.00    0.0000000    0.0000000    0.0000000
C       -3.3482714946    -0.0606836636    -0.2538366409  0.00    0.0000000    0.0000000    0.0000000
H       -3.8861783563     0.5272576460     0.4850602520  0.00    0.0000000    0.0000000    0.0000000
H       -3.6276743444     0.2865639101    -1.2452556631  0.00    0.0000000    0.0000000    0.0000000
H       -3.5734317888    -1.1163710818    -0.1415817603  0.00    0.0000000    0.0000000    0.0000000
O        0.1773821455    -0.5257439798     0.3100936286  0.00    0.0000000    0.0000000    0.0000000
H        0.1609924412     0.4513945383     0.1898499185  0.00    0.0000000    0.0000000    0.0000000
C        2.5576712953     0.3674584892    -0.2138750841  0.00    0.0000000    0.0000000    0.0000000
C        2.3699554728     0.5225779516     1.0897144685  0.00    0.0000000    0.0000000    0.0000000
H        1.9405421181     1.4278896865     1.5004149504  0.00    0.0000000    0.0000000    0.0000000
H        2.5299983171    -0.2991091681     1.7783406090  0.00    0.0000000    0.0000000    0.0000000
H        2.2856360035     1.1767387958    -0.8865270268  0.00    0.0000000    0.0000000    0.0000000
C        3.0589663015    -0.8857514757    -0.8583419274  0.00    0.0000000    0.0000000    0.0000000
H        3.1304110093    -1.6999859149    -0.1377895224  0.00    0.0000000    0.0000000    0.0000000
H        2.4073369400    -1.2059177046    -1.6738345077  0.00    0.0000000    0.0000000    0.0000000
H        4.0462516276    -0.7106775363    -1.2875252651  0.00    0.0000000    0.0000000    0.0000000
18
E =    11.000000000000
C       -1.8995692327     0.2297779393    -0.0795555436  0.00    0.0000000    0.0000000    0.0000000
O       -1.3887820090     1.3234410156    -0.1398525097  0.00    0.0000000    0.0000000    0.0000000
O       -1.1697347623    -0.8608364706     0.1586427781  0.00    0.0000000    0.0000000    0.0000000
C       -3.3442151692    -0.0626061386    -0.2545608673  0.00    0.0000000    0.0000000    0.0000000
H       -3.8793668598     0.5292027812     0.4832818358  0.00    0.0000000    0.0000000    0.0000000
H       -3.6206556041     0.2908826452    -1.2446287488  0.00    0.0000000    0.0000000    0.0000000
H       -3.5816085123    -1.1159170816    -0.1457407201  0.00    0.0000000    0.0000000    0.0000000
O        0.1876728912    -0.5053186958     0.3085390235  0.00    0.0000000    0.0000000    0.0000000
H        0.1533160328     0.4725284671     0.1862908383  0.00    0.0000000    0.0000000    0.0000000
C        2.5450823150     0.3615282580    -0.2133804373  0.00    0.0000000    0.0000000    0.0000000
C        2.3578079875     0.5152488380     1.0905243937  0.00    0.0000000    0.0000000    0.0000000
H        1.9250274163     1.4185574537     1.5019176996  0.00    0.0000000    0.0000000    0.0000000
H        2.5139317768    -0.3081574302     1.7779628373  0.00    0.0000000    0.0000000    0.0000000
H        2.2707271197     1.1700990809    -0.8859346374  0.00    0.0000000    0.0000000    0.0000000
C        3.0502544318    -0.8892570298    -0.8591585678  0.00    0.0000000    0.0000000    0.0000000
H        3.1233248087    -1.7048486860    -0.1402585503  0.00    0.0000000    0.0000000    0.0000000
H        2.4051697739    -1.2116781005    -1.6792610103  0.00    0.0000000    0.0000000    0.0000000
H        4.0384339774    -0.7059734349    -1.2824024904  0.00    0.0000000    0.0000000    0.0000000
18
E =    10.000000000000
C       -1.8945346789     0.2233538631    -0.0785975915  0.00    0.0000000    0.0000000    0.0000000
O       -1.3882231795     1.3196658730    -0.1386739408  0.00    0.0000000    0.0000000    0.0000000
O       -1.1546039682    -0.8601219882     0.1597461640  0.00    0.0000000    0.0000000    0.0000000
C       -3.3409954371    -0.0632583683    -0.2556564517  0.00    0.0000000    0.0000000    0.0000000
H       -3.8747493647     0.5322283291     0.4805957575  0.00    0.0000000    0.0000000    0.0000000
H       -3.6159218048     0.2962947594    -1.2442206078  0.00    0.0000000    0.0000000    0.0000000
H       -3.5916383660    -1.1135548988    -0.1504401380  0.00    0.0000000    0.0000000    0.0000000
O        0.1969568193    -0.4848021728     0.3069349422  0.00    0.0000000    0.0000000    0.0000000
H        0.1461642733     0.4942552377     0.1828102583  0.00    0.0000000    0.0000000    0.0000000
C        2.5317545867     0.3556569709    -0.2129572231  0.00    0.0000000    0.0000000    0.0000000
C        2.3446546078     0.5078983834     1.0911019185  0.00    0.0000000    0.0000000    0.0000000
H        1.9104695119     1.4100988459     1.5034819711  0.00    0.0000000    0.0000000    0.0000000
H        2.4982201006    -0.3165837420     1.7779885172  0.00    0.0000000    0.0000000    0.0000000
H        2.2571153594     1.1641651347    -0.8855575563  0.00    0.0000000    0.0000000    0.0000000
C        3.0410496647    -0.8926174932    -0.8600114926  0.00    0.0000000    0.0000000    0.0000000
H        3.1162341373    -1.7092466801    -0.1424482050  0.00    0.0000000    0.0000000    0.0000000
H        2.4028256129    -1.2173853421    -1.6848325698  0.00    0.0000000    0.0000000    0.0000000
H        4.0300433399    -0.7007423820    -1.2770318367  0.00    0.0000000    0.0000000    0.0000000
18
E =     9.000000000000
C       -1.8894395728     0.2160429615    -0.0775479777  0.00    0.0000000    0.0000000    0.0000000
O       -1.3868622522     1.3149814035    -0.1373363055  0.00    0.0000000    0.0000000    0.0000000
O       -1.1406284430    -0.8604071711     0.1608618399  0.00    0.0000000    0.0000000    0.0000000
C       -3.3389534152    -0.0622358459    -0.2571393762  0.00    0.0000000    0.0000000    0.0000000
H       -3.8730775874     0.5362583384     0.4773323775  0.00    0.0000000    0.0000000    0.0000000
H       -3.6141137962     0.3025311375    -1.2444079919  0.00    0.0000000    0.0000000    0.0000000
H       -3.6025276053    -1.1092586946    -0.1554289131  0.00    0.0000000    0.0000000    0.0000000
O        0.2101600907    -0.4633394387     0.3059455404  0.00    0.0000000    0.0000000    0.0000000
H        0.1396369460     0.5158681620     0.1795409733  0.00    0.0000000    0.0000000    0.0000000
C        2.5172599146     0.3496707416    -0.2129573458  0.00    0.0000000    0.0000000    0.0000000
C        2.3292686500     0.5002048951     1.0913651265  0.00    0.0000000    0.0000000    0.0000000
H        1.8973448491     1.4029419478     1.5050675610  0.00    0.0000000    0.0000000    0.0000000
H        2.4837733738    -0.3240245865     1.7786093330  0.00    0.0000000    0.0000000    0.0000000
H        2.2452023394     1.1592510190    -0.8853987331  0.00    0.0000000    0.0000000    0.0000000
C        3.0317639812    -0.8957277632    -0.8608558842  0.00    0.0000000    0.0000000    0.0000000
H        3.1093346869    -1.7129609827    -0.1441936207  0.00    0.0000000    0.0000000    0.0000000
H        2.4002903376    -1.2225482945    -1.6902480334  0.00    0.0000000    0.0000000    0.0000000
H        4.0215403225    -0.6953256869    -1.2716742666  0.00    0.0000000    0.0000000    0.0000000
18
E =     8.000000000000
C       -1.8840533450     0.2085810173    -0.0764405366  0.00    0.0000000    0.0000000    0.0000000
O       -1.3852442808     1.3096476897    -0.1359843805  0.00    0.0000000    0.0000000    0.0000000
O       -1.1225391680    -0.8607539153     0.1627276598  0.00    0.0000000    0.0000000    0.0000000
C       -3.3390800996    -0.0590435952    -0.2591244814  0.00    0.0000000    0.0000000    0.0000000
H       -3.8749656943     0.5416494732     0.4742824098  0.00    0.0000000    0.0000000    0.0000000
H       -3.6155641588     0.3096306815    -1.2460288614  0.00    0.0000000    0.0000000    0.0000000
H       -3.6131400532    -1.1031135131    -0.1603617674  0.00    0.0000000    0.0000000    0.0000000
O        0.2234801269    -0.4430882258     0.3052926488  0.00    0.0000000    0.0000000    0.0000000
H        0.1338618874     0.5369275734     0.1765153654  0.00    0.0000000    0.0000000    0.0000000
C        2.5012609554     0.3435470351    -0.2132699233  0.00    0.0000000    0.0000000    0.0000000
C        2.3107771936     0.4919831195     1.0908706203  0.00    0.0000000    0.0000000    0.0000000
H        1.8863555747     1.3974765423     1.5066078166  0.00    0.0000000    0.0000000    0.0000000
H        2.4714688486    -0.3300296149     1.7797640092  0.00    0.0000000    0.0000000    0.0000000
H        2.2354419471     1.1555973805    -0.8854373866  0.00    0.0000000    0.0000000    0.0000000
C        3.0228736695    -0.8984321163    -0.8616580547  0.00    0.0000000    0.0000000    0.0000000
H        3.1028351603    -1.7158303057    -0.1453429303  0.00    0.0000000    0.0000000    0.0000000
H        2.3975620325    -1.2266085320    -1.6951530808  0.00    0.0000000    0.0000000    0.0000000
H        4.0135495137    -0.6902089020    -1.2667254102  0.00    0.0000000    0.0000000    0.0000000
18
E =     7.000000000000
C       -1.8803479398     0.2016683143    -0.0755748491  0.00    0.0000000    0.0000000    0.0000000
O       -1.3836988829     1.3045758695    -0.1347961875  0.00    0.0000000    0.0000000    0.0000000
O       -1.1100218294    -0.8627847381     0.1641862868  0.00    0.0000000    0.0000000    0.0000000
C       -3.3424289626    -0.0541543992    -0.2615505985  0.00    0.0000000    0.0000000    0.0000000
H       -3.8794706318     0.5475315993     0.4721193600  0.00    0.0000000    0.0000000    0.0000000
H       -3.6193243578     0.3165841812    -1.2489623971  0.00    0.0000000    0.0000000    0.0000000
H       -3.6218930762    -1.0965357807    -0.1646242458  0.00    0.0000000    0.0000000    0.0000000
O        0.2474650944    -0.4234769857     0.3065095529  0.00    0.0000000    0.0000000    0.0000000
H        0.1281012780     0.5549938579     0.1738965831  0.00    0.0000000    0.0000000    0.0000000
C        2.4842861105     0.3372795680    -0.2145032951  0.00    0.0000000    0.0000000    0.0000000
C        2.2894028819     0.4834429798     1.0900624008  0.00    0.0000000    0.0000000    0.0000000
H        1.8782314717     1.3940183537     1.5079864725  0.00    0.0000000    0.0000000    0.0000000
H        2.4623603134    -0.3342182909     1.7812519823  0.00    0.0000000    0.0000000    0.0000000
H        2.2282311015     1.1534350031    -0.8856255478  0.00    0.0000000    0.0000000    0.0000000
C        3.0154010344    -0.9005884245    -0.8623907383  0.00    0.0000000    0.0000000    0.0000000
H        3.0972012925    -1.7176873817    -0.1458859551  0.00    0.0000000    0.0000000    0.0000000
H        2.3948453347    -1.2290100529    -1.6989363181  0.00    0.0000000    0.0000000    0.0000000
H        4.0069450543    -0.6859184795    -1.2627773611  0.00    0.0000000    0.0000000    0.0000000
18
E =     6.000000000000
C       -1.8796226448     0.1966442852    -0.0752163772  0.00    0.0000000    0.0000000    0.0000000
O       -1.3826329904     1.3008376970    -0.1339382034  0.00    0.0000000    0.0000000    0.0000000
O       -1.1110160050    -0.8672167788     0.1641852240  0.00    0.0000000    0.0000000    0.0000000
C       -3.3473355989    -0.0494236969    -0.2638026832  0.00    0.0000000    0.0000000    0.0000000
H       -3.8840717023     0.5521408044     0.4708431813  0.00    0.0000000    0.0000000    0.0000000
H       -3.6231764250     0.3217617082    -1.2517909873  0.00    0.0000000    0.0000000    0.0000000
H       -3.6276792780    -1.0914117764    -0.1676185436  0.00    0.0000000    0.0000000    0.0000000
O        0.2836746227    -0.4057500229     0.3099460446  0.00    0.0000000    0.0000000    0.0000000
H        0.1226188400     0.5677940952     0.1719020539  0.00    0.0000000    0.0000000    0.0000000
C        2.4692818041     0.3317365093    -0.2163889663  0.00    0.0000000    0.0000000    0.0000000
C        2.2691821789     0.4759754242     1.0892545858  0.00    0.0000000    0.0000000    0.0000000
H        1.8731254091     1.3925177942     1.5091311254  0.00    0.0000000    0.0000000    0.0000000
H        2.4568286582    -0.3366577240     1.7826817167  0.00    0.0000000    0.0000000    0.0000000
H        2.2236585937     1.1526605396    -0.8858714688  0.00    0.0000000    0.0000000    0.0000000
C        3.0103111909    -0.9020631689    -0.8629690421  0.00    0.0000000    0.0000000    0.0000000
H        3.0931110514    -1.7185179773    -0.1459944539  0.00    0.0000000    0.0000000    0.0000000
H        2.3926833664    -1.2298307869    -1.7012118752  0.00    0.0000000    0.0000000    0.0000000
H        4.0024442936    -0.6828573535    -1.2602277029  0.00    0.0000000    0.0000000    0.0000000
18
E =     5.000000000000
C       -1.8800929822     0.1918754531    -0.0749136048  0.00    0.0000000    0.0000000    0.0000000
O       -1.3818335878     1.2985811069    -0.1333328484  0.00    0.0000000    0.0000000    0.0000000
O       -1.1243163378    -0.8724526699     0.1626149258  0.00    0.0000000    0.0000000    0.0000000
C       -3.3514705548    -0.0461635415    -0.2654069606  0.00    0.0000000    0.0000000    0.0000000
H       -3.8874304129     0.5546946517     0.4701277697  0.00    0.0000000    0.0000000    0.0000000
H       -3.6260320847     0.3247139996    -1.2536588714  0.00    0.0000000    0.0000000    0.0000000
H       -3.6310222133    -1.0884397328    -0.1694528315  0.00    0.0000000    0.0000000    0.0000000
O        0.3247474697    -0.3893416799     0.3142537339  0.00    0.0000000    0.0000000    0.0000000
H        0.1182059073     0.5743433205     0.1707478383  0.00    0.0000000    0.0000000    0.0000000
C        2.4577910832     0.3270797641    -0.2190785942  0.00    0.0000000    0.0000000    0.0000000
C        2.2527313562     0.4700576656     1.0894352764  0.00    0.0000000    0.0000000    0.0000000
H        1.8702105401     1.3918193483     1.5099856160  0.00    0.0000000    0.0000000    0.0000000
H        2.4538152717    -0.3380991898     1.7836873219  0.00    0.0000000    0.0000000    0.0000000
H        2.2209450878     1.1524595975    -0.8859991639  0.00    0.0000000    0.0000000    0.0000000
C        3.0072679886    -0.9030464442    -0.8633088696  0.00    0.0000000    0.0000000    0.0000000
H        3.0905104803    -1.7188821252    -0.1460198307  0.00    0.0000000    0.0000000    0.0000000
H        2.3912332581    -1.2298961744    -1.7024090081  0.00    0.0000000    0.0000000    0.0000000
H        3.9996684706    -0.6809380928    -1.2587714524  0.00    0.0000000    0.0000000    0.0000000
18
E =     4.000000000000
C       -1.8808306023     0.1867904844    -0.0745585729  0.00    0.0000000    0.0000000    0.0000000
O       -1.3811176529     1.2971007003    -0.1328163626  0.00    0.0000000    0.0000000    0.0000000
O       -1.1411264211    -0.8775518717     0.1605365646  0.00    0.0000000    0.0000000    0.0000000
C       -3.3550620065    -0.0435867007    -0.2667147234  0.00    0.0000000    0.0000000    0.0000000
H       -3.8902473231     0.5563366911     0.4695889538  0.00    0.0000000    0.0000000    0.0000000
H       -3.6284493134     0.3267426110    -1.2550894124  0.00    0.0000000    0.0000000    0.0000000
H       -3.6334804308    -1.0864113423    -0.1708858250  0.00    0.0000000    0.0000000    0.0000000
O        0.3663088588    -0.3733977870     0.3186991379  0.00    0.0000000    0.0000000    0.0000000
H        0.1141850859     0.5779857356     0.1699696901  0.00    0.0000000    0.0000000    0.0000000
C        2.4476917995     0.3226365860    -0.2223822449  0.00    0.0000000    0.0000000    0.0000000
C        2.2375419015     0.4646210477     1.0902640527  0.00    0.0000000    0.0000000    0.0000000
H        1.8680389997     1.3912762299     1.5107735858  0.00    0.0000000    0.0000000    0.0000000
H        2.4516643613    -0.3393055822     1.7845105920  0.00    0.0000000    0.0000000    0.0000000
H        2.2188699280     1.1523866570    -0.8860484280  0.00    0.0000000    0.0000000    0.0000000
C        3.0049335619    -0.9038772898    -0.8635166404  0.00    0.0000000    0.0000000    0.0000000
H        3.0884710860    -1.7191477099    -0.1460697414  0.00    0.0000000    0.0000000    0.0000000
H        2.3900383753    -1.2297505607    -1.7032450117  0.00    0.0000000    0.0000000    0.0000000
H        3.9975083278    -0.6794638370    -1.2577188644  0.00    0.0000000    0.0000000    0.0000000
18
E =     3.000000000000
C       -1.8817183063     0.1812235113    -0.0741446240  0.00    0.0000000    0.0000000    0.0000000
O       -1.3803377371     1.2960734549    -0.1323209181  0.00    0.0000000    0.0000000    0.0000000
O       -1.1588448527    -0.8822573985     0.1582770598  0.00    0.0000000    0.0000000    0.0000000
C       -3.3583985991    -0.0413390312    -0.2678946805  0.00    0.0000000    0.0000000    0.0000000
H       -3.8928698856     0.5574954019     0.4691176188  0.00    0.0000000    0.0000000    0.0000000
H       -3.6307074599     0.3283325766    -1.2563049619  0.00    0.0000000    0.0000000    0.0000000
H       -3.6355436658    -1.0848580201    -0.1721629437  0.00    0.0000000    0.0000000    0.0000000
O        0.4078305328    -0.3575433871     0.3231577846  0.00    0.0000000    0.0000000    0.0000000
H        0.1103368524     0.5799830754     0.1694206164  0.00    0.0000000    0.0000000    0.0000000
C        2.4380134734     0.3181189327    -0.2263154997  0.00    0.0000000    0.0000000    0.0000000
C        2.2225182892     0.4592585034     1.0916463063  0.00    0.0000000    0.0000000    0.0000000
H        1.8661713220     1.3907324318     1.5115622665  0.00    0.0000000    0.0000000    0.0000000
H        2.4498633883    -0.3404670597     1.7852267015  0.00    0.0000000    0.0000000    0.0000000
H        2.2170299305     1.1523669487    -0.8860410244  0.00    0.0000000    0.0000000    0.0000000
C        3.0028854431    -0.9046498971    -0.8636256163  0.00    0.0000000    0.0000000    0.0000000
H        3.0866473519    -1.7194058455    -0.1461598221  0.00    0.0000000    0.0000000    0.0000000
H        2.3889411769    -1.2295033901    -1.7039492759  0.00    0.0000000    0.0000000    0.0000000
H        3.9956057027    -0.6781986733    -1.2568714535  0.00    0.0000000    0.0000000    0.0000000
18
E =     2.000000000000
C       -1.8830102016     0.1751456747    -0.0737178180  0.00    0.0000000    0.0000000    0.0000000
O       -1.3792749153     1.2953424681    -0.1317860561  0.00    0.0000000    0.0000000    0.0000000
O       -1.1763993829    -0.8866915078     0.1560067468  0.00    0.0000000    0.0000000    0.0000000
C       -3.3616143250    -0.0392016832    -0.2690279324  0.00    0.0000000    0.0000000    0.0000000
H       -3.8954638149     0.5584047635     0.4686884818  0.00    0.0000000    0.0000000    0.0000000
H       -3.6329610907     0.3296983482    -1.2574331621  0.00    0.0000000    0.0000000    0.0000000
H       -3.6374455600    -1.0835586476    -0.1733576923  0.00    0.0000000    0.0000000    0.0000000
O        0.4492153803    -0.3414846709     0.3274884353  0.00    0.0000000    0.0000000    0.0000000
H        0.1065721385     0.5807925501     0.1690490730  0.00    0.0000000    0.0000000    0.0000000
C        2.4282886938     0.3134135258    -0.2308231051  0.00    0.0000000    0.0000000    0.0000000
C        2.2072545783     0.4538756977     1.0936062206  0.00    0.0000000    0.0000000    0.0000000
H        1.8644353398     1.3901459763     1.5123758755  0.00    0.0000000    0.0000000    0.0000000
H        2.4481897030    -0.3416572029     1.7858817516  0.00    0.0000000    0.0000000    0.0000000
H        2.2152906802     1.1523377907    -0.8860093893  0.00    0.0000000    0.0000000    0.0000000
C        3.0009245268    -0.9054380103    -0.8636901591  0.00    0.0000000    0.0000000    0.0000000
H        3.0849123258    -1.7197103321    -0.1462842946  0.00    0.0000000    0.0000000    0.0000000
H        2.3878591060    -1.2292634993    -1.7045993941  0.00    0.0000000    0.0000000    0.0000000
H        3.9937926512    -0.6770722755    -1.2561224064  0.00    0.0000000    0.0000000    0.0000000
18
E =     1.000000000000
C       -1.8847067128     0.1688311067    -0.0733196683  0.00    0.0000000    0.0000000    0.0000000
O       -1.3779270519     1.2946852778    -0.1311986748  0.00    0.0000000    0.0000000    0.0000000
O       -1.1934136981    -0.8909656528     0.1537938631  0.00    0.0000000    0.0000000    0.0000000
C       -3.3648160667    -0.0370820967    -0.2701376524  0.00    0.0000000    0.0000000    0.0000000
H       -3.8980808010     0.5591966204     0.4682664905  0.00    0.0000000    0.0000000    0.0000000
H       -3.6352504363     0.3309773766    -1.2585221164  0.00    0.0000000    0.0000000    0.0000000
H       -3.6392948546    -1.0823582868    -0.1745509539  0.00    0.0000000    0.0000000    0.0000000
O        0.4904689883    -0.3251566741     0.3317094108  0.00    0.0000000    0.0000000    0.0000000
H        0.1028265978     0.5808381993     0.1687817573  0.00    0.0000000    0.0000000    0.0000000
C        2.4183667165     0.3085588221    -0.2356551160  0.00    0.0000000    0.0000000    0.0000000
C        2.1916047118     0.4483820876     1.0958607681  0.00    0.0000000    0.0000000    0.0000000
H        1.8627570193     1.3894764744     1.5132377094  0.00    0.0000000    0.0000000    0.0000000
H        2.4465237766    -0.3428906464     1.7865096912  0.00    0.0000000    0.0000000    0.0000000
H        2.2135658185     1.1522752563    -0.8859514967  0.00    0.0000000    0.0000000    0.0000000
C        2.9990050742    -0.9062639374    -0.8637298562  0.00    0.0000000    0.0000000    0.0000000
H        3.0831824405    -1.7200808813    -0.1464413552  0.00    0.0000000    0.0000000    0.0000000
H        2.3867583027    -1.2290501311    -1.7052635104  0.00    0.0000000    0.0000000    0.0000000
H        3.9919959972    -0.6760289032    -1.2554108223  0.00    0.0000000    0.0000000    0.0000000
18
E =    62.000000000000
C       -1.8864057023     0.1625200774    -0.0729293534  0.00    0.0000000    0.0000000    0.0000000
O       -1.3765792835     1.2940305456    -0.1306134628  0.00    0.0000000    0.0000000    0.0000000
O       -1.2104307492    -0.8952323328     0.1515707734  0.00    0.0000000    0.0000000    0.0000000
C       -3.3680192386    -0.0349696382    -0.2712475473  0.00    0.0000000    0.0000000    0.0000000
H       -3.9006988388     0.5599946918     0.4678392563  0.00    0.0000000    0.0000000    0.0000000
H       -3.6375393439     0.3322584510    -1.2596071177  0.00    0.0000000    0.0000000    0.0000000
H       -3.6411358528    -1.0811483457    -0.1757355708  0.00    0.0000000    0.0000000    0.0000000
O        0.5317221951    -0.3088436304     0.3359618056  0.00    0.0000000    0.0000000    0.0000000
H        0.0990802747     0.5808862241     0.1685128495  0.00    0.0000000    0.0000000    0.0000000
C        2.4084444776     0.3037086314    -0.2404913823  0.00    0.0000000    0.0000000    0.0000000
C        2.1759611674     0.4428883357     1.0981090218  0.00    0.0000000    0.0000000    0.0000000
H        1.8610879248     1.3888189191     1.5140965185  0.00    0.0000000    0.0000000    0.0000000
H        2.4448632752    -0.3441351713     1.7871336169  0.00    0.0000000    0.0000000    0.0000000
H        2.2118522375     1.1522168130    -0.8859010257  0.00    0.0000000    0.0000000    0.0000000
C        2.9970845213    -0.9070860357    -0.8637772804  0.00    0.0000000    0.0000000    0.0000000
H        3.0814497350    -1.7204487825    -0.1465834510  0.00    0.0000000    0.0000000    0.0000000
H        2.3856670934    -1.2288333548    -1.7059128977  0.00    0.0000000    0.0000000    0.0000000
H        3.9901985106    -0.6749918592    -1.2547093008  0.00    0.0000000    0.0000000    0.0000000
18
E =    63.000000000000
C       -1.8885321398     0.1561449660    -0.0726015371  0.00    0.0000000    0.0000000    0.0000000
O       -1.3749000475     1.2933092201    -0.1299391086  0.00    0.0000000    0.0000000    0.0000000
O       -1.2265487956    -0.8994310110     0.1494503577  0.00    0.0000000    0.0000000    0.0000000
C       -3.3712502922    -0.0328001092    -0.2723746350  0.00    0.0000000    0.0000000    0.0000000
H       -3.9033790337     0.5607537787     0.4674042876  0.00    0.0000000    0.0000000    0.0000000
H       -3.6398985924     0.3335333709    -1.2606919128  0.00    0.0000000    0.0000000    0.0000000
H       -3.6429856696    -1.0799460144    -0.1769361941  0.00    0.0000000    0.0000000    0.0000000
O        0.5728010083    -0.2921757883     0.3400804342  0.00    0.0000000    0.0000000    0.0000000
H        0.0953858397     0.5803613419     0.1683288981  0.00    0.0000000    0.0000000    0.0000000
C        2.3980907654     0.2986661604    -0.2455376272  0.00    0.0000000    0.0000000    0.0000000
C        2.1598370149     0.4372732852     1.1005788617  0.00    0.0000000    0.0000000    0.0000000
H        1.8594198952     1.3880776651     1.5149966852  0.00    0.0000000    0.0000000    0.0000000
H        2.4431763937    -0.3454272802     1.7877713438  0.00    0.0000000    0.0000000    0.0000000
H        2.2101135896     1.1521299200    -0.8858501329  0.00    0.0000000    0.0000000    0.0000000
C        2.9951441576    -0.9079786875    -0.8638395787  0.00    0.0000000    0.0000000    0.0000000
H        3.0796819283    -1.7208936460    -0.1467473186  0.00    0.0000000    0.0000000    0.0000000
H        2.3845447986    -1.2286837669    -1.7065847249  0.00    0.0000000    0.0000000    0.0000000
H        3.9883737512    -0.6740185743    -1.2540134836  0.00    0.0000000    0.0000000    0.0000000
18
E =    64.000000000000
C       -1.8911956930     0.1499344676    -0.0723660346  0.00    0.0000000    0.0000000    0.0000000
O       -1.3728019935     1.2924218185    -0.1291745508  0.00    0.0000000    0.0000000    0.0000000
O       -1.2414711276    -0.9036952355     0.1474990823  0.00    0.0000000    0.0000000    0.0000000
C       -3.3745356038    -0.0305590078    -0.2735243975  0.00    0.0000000    0.0000000    0.0000000
H       -3.9061794141     0.5615685918     0.4669637999  0.00    0.0000000    0.0000000    0.0000000
H       -3.6423660769     0.3348650205    -1.2618158494  0.00    0.0000000    0.0000000    0.0000000
H       -3.6448773110    -1.0787039231    -0.1781569479  0.00    0.0000000    0.0000000    0.0000000
O        0.6136745860    -0.2750552474     0.3440201762  0.00    0.0000000    0.0000000    0.0000000
H        0.0917952467     0.5793141626     0.1682507044  0.00    0.0000000    0.0000000    0.0000000
C        2.3871853234     0.2934676548    -0.2506265389  0.00    0.0000000    0.0000000    0.0000000
C        2.1430839120     0.4314660508     1.1031514561  0.00    0.0000000    0.0000000    0.0000000
H        1.8577547658     1.3872345961     1.5159597656  0.00    0.0000000    0.0000000    0.0000000
H        2.4414134533    -0.3467464572     1.7884055163  0.00    0.0000000    0.0000000    0.0000000
H        2.2083145714     1.1519871663    -0.8857870143  0.00    0.0000000    0.0000000    0.0000000
C        2.9931416217    -0.9089835326    -0.8639595472  0.00    0.0000000    0.0000000    0.0000000
H        3.0778297285    -1.7214356609    -0.1469191888  0.00    0.0000000    0.0000000    0.0000000
H        2.3833682835    -1.2286374211    -1.7073018728  0.00    0.0000000    0.0000000    0.0000000
H        3.9864740526    -0.6731273898    -1.2533126183  0.00    0.0000000    0.0000000    0.0000000
18
E =    65.000000000000
C       -1.8942166427     0.1441787682    -0.0722509811  0.00    0.0000000    0.0000000    0.0000000
O       -1.3703219231     1.2911233753    -0.1282983126  0.00    0.0000000    0.0000000    0.0000000
O       -1.2552785444    -0.9081451697     0.1457156151  0.00    0.0000000    0.0000000    0.0000000
C       -3.3778965685    -0.0282214626    -0.2746957901  0.00    0.0000000    0.0000000    0.0000000
H       -3.9090670603     0.5624834654     0.4665100611  0.00    0.0000000    0.0000000    0.0000000
H       -3.6449136390     0.3363131632    -1.2629925062  0.00    0.0000000    0.0000000    0.0000000
H       -3.6468580315    -1.0773249463    -0.1794116497  0.00    0.0000000    0.0000000    0.0000000
O        0.6543243573    -0.2574095017     0.3477650748  0.00    0.0000000    0.0000000    0.0000000
H        0.0884032510     0.5779007098     0.1682664706  0.00    0.0000000    0.0000000    0.0000000
C        2.3756961242     0.2881946453    -0.2555089906  0.00    0.0000000    0.0000000    0.0000000
C        2.1257835567     0.4254726609     1.1056333901  0.00    0.0000000    0.0000000    0.0000000
H        1.8560801389     1.3862819673     1.5169776658  0.00    0.0000000    0.0000000    0.0000000
H        2.4395447508    -0.3480919346     1.7890581295  0.00    0.0000000    0.0000000    0.0000000
H        2.2064373525     1.1517518653    -0.8857357596  0.00    0.0000000    0.0000000    0.0000000
C        2.9910495999    -0.9101312079    -0.8641734549  0.00    0.0000000    0.0000000    0.0000000
H        3.0758846264    -1.7221109228    -0.1470768016  0.00    0.0000000    0.0000000    0.0000000
H        2.3821365652    -1.2287672819    -1.7080663115  0.00    0.0000000    0.0000000    0.0000000
H        3.9844687498    -0.6723104706    -1.2525452265  0.00    0.0000000    0.0000000    0.0000000
18
E =    66.000000000000
C       -1.8975536665     0.1390315131    -0.0722622367  0.00    0.0000000    0.0000000    0.0000000
O       -1.3673597746     1.2891639271    -0.1272617171  0.00    0.0000000    0.0000000    0.0000000
O       -1.2676848732    -0.9127606513     0.1441409425  0.00    0.0000000    0.0000000    0.0000000
C       -3.3813830552    -0.0257574145    -0.2759196151  0.00    0.0000000    0.0000000    0.0000000
H       -3.9121023357     0.5636145779     0.4660318852  0.00    0.0000000    0.0000000    0.0000000
H       -3.6475766339     0.3379604434    -1.2642736860  0.00    0.0000000    0.0000000    0.0000000
H       -3.6489790362    -1.0757133534    -0.1807471045  0.00    0.0000000    0.0000000    0.0000000
O        0.6946167268    -0.2391107438     0.3512124475  0.00    0.0000000    0.0000000    0.0000000
H        0.0852787943     0.5761407123     0.1683615257  0.00    0.0000000    0.0000000    0.0000000
C        2.3634402176     0.2828535330    -0.2600633230  0.00    0.0000000    0.0000000    0.0000000
C        2.1078872441     0.4192904993     1.1079982068  0.00    0.0000000    0.0000000    0.0000000
H        1.8543628795     1.3851343193     1.5180948171  0.00    0.0000000    0.0000000    0.0000000
H        2.4374768137    -0.3494695655     1.7897386858  0.00    0.0000000    0.0000000    0.0000000
H        2.2044427914     1.1513797883    -0.8856761766  0.00    0.0000000    0.0000000    0.0000000
C        2.9887990944    -0.9114795257    -0.8645216090  0.00    0.0000000    0.0000000    0.0000000
H        3.0737936314    -1.7229490220    -0.1472208502  0.00    0.0000000    0.0000000    0.0000000
H        2.3808597878    -1.2291396983    -1.7088963095  0.00    0.0000000    0.0000000    0.0000000
H        3.9823186339    -0.6715768703    -1.2516526073  0.00    0.0000000    0.0000000    0.0000000
18
E =    67.000000000000
C       -1.9011219777     0.1346291299    -0.0723972698  0.00    0.0000000    0.0000000    0.0000000
O       -1.3637079120     1.2861759378    -0.1260052661  0.00    0.0000000    0.0000000    0.0000000
O       -1.2788307456    -0.9176520741     0.1427772122  0.00    0.0000000    0.0000000    0.0000000
C       -3.3850081763    -0.0231032993    -0.2772017163  0.00    0.0000000    0.0000000    0.0000000
H       -3.9153011396     0.5650606328     0.4655134771  0.00    0.0000000    0.0000000    0.0000000
H       -3.6503643355     0.3399171441    -1.2656780081  0.00    0.0000000    0.0000000    0.0000000
H       -3.6513078417    -1.0737629901    -0.1821750118  0.00    0.0000000    0.0000000    0.0000000
O        0.7343620082    -0.2199325945     0.3541240297  0.00    0.0000000    0.0000000    0.0000000
H        0.0825791132     0.5739567789     0.1686004718  0.00    0.0000000    0.0000000    0.0000000
C        2.3503048280     0.2775279491    -0.2641193190  0.00    0.0000000    0.0000000    0.0000000
C        2.0896507323     0.4130409403     1.1103476842  0.00    0.0000000    0.0000000    0.0000000
H        1.8526104145     1.3837471671     1.5193335948  0.00    0.0000000    0.0000000    0.0000000
H        2.4351231815    -0.3508652844     1.7904592372  0.00    0.0000000    0.0000000    0.0000000
H        2.2023067555     1.1508173706    -0.8855670463  0.00    0.0000000    0.0000000    0.0000000
C        2.9863540692    -0.9130922126    -0.8650505437  0.00    0.0000000    0.0000000    0.0000000
H        3.0714947982    -1.7240005382    -0.1473217157  0.00    0.0000000    0.0000000    0.0000000
H        2.3795142509    -1.2299082258    -1.7098277830  0.00    0.0000000    0.0000000    0.0000000
H        3.9799668807    -0.6709498773    -1.2505662121  0.00    0.0000000    0.0000000    0.0000000
18
E =    68.000000000000
C       -1.9047429923     0.1304689269    -0.0725742707  0.00    0.0000000    0.0000000    0.0000000
O       -1.3592926866     1.2823416890    -0.1245287477  0.00    0.0000000    0.0000000    0.0000000
O       -1.2891007730    -0.9226498339     0.1415473164  0.00    0.0000000    0.0000000    0.0000000
C       -3.3887798391    -0.0202121587    -0.2785581199  0.00    0.0000000    0.0000000    0.0000000
H       -3.9187039763     0.5668177144     0.4649303450  0.00    0.0000000    0.0000000    0.0000000
H       -3.6533199285     0.3421597261    -1.2672121916  0.00    0.0000000    0.0000000    0.0000000
H       -3.6538752489    -1.0714844550    -0.1836933875  0.00    0.0000000    0.0000000    0.0000000
O        0.7735783810    -0.2001763743     0.3564098062  0.00    0.0000000    0.0000000    0.0000000
H        0.0801018646     0.5716407175     0.1688743251  0.00    0.0000000    0.0000000    0.0000000
C        2.3363608059     0.2722171998    -0.2678440640  0.00    0.0000000    0.0000000    0.0000000
C        2.0713731706     0.4069615364     1.1129163567  0.00    0.0000000    0.0000000    0.0000000
H        1.8507511119     1.3822205562     1.5207527708  0.00    0.0000000    0.0000000    0.0000000
H        2.4324394353    -0.3521894153     1.7912619896  0.00    0.0000000    0.0000000    0.0000000
H        2.1999742433     1.1500922128    -0.8854002166  0.00    0.0000000    0.0000000    0.0000000
C        2.9836058608    -0.9148704677    -0.8656756877  0.00    0.0000000    0.0000000    0.0000000
H        3.0690023530    -1.7252227845    -0.1473594338  0.00    0.0000000    0.0000000    0.0000000
H        2.3781126561    -1.2310662090    -1.7108640789  0.00    0.0000000    0.0000000    0.0000000
H        3.9773740057    -0.6703217465    -1.2492195024  0.00    0.0000000    0.0000000    0.0000000
18
E =    69.000000000000
C       -1.9084788549     0.1265854044    -0.0727946405  0.00    0.0000000    0.0000000    0.0000000
O       -1.3535977329     1.2771805154    -0.1227031565  0.00    0.0000000    0.0000000    0.0000000
O       -1.2985208571    -0.9279781684     0.1405171388  0.00    0.0000000    0.0000000    0.0000000
C       -3.3928099800    -0.0168960091    -0.2800436105  0.00    0.0000000    0.0000000    0.0000000
H       -3.9224436279     0.5690814846     0.4642439803  0.00    0.0000000    0.0000000    0.0000000
H       -3.6565414786     0.3448757545    -1.2689743822  0.00    0.0000000    0.0000000    0.0000000
H       -3.6568230922    -1.0686347696    -0.1853739129  0.00    0.0000000    0.0000000    0.0000000
O        0.8118972976    -0.1795899606     0.3574572582  0.00    0.0000000    0.0000000    0.0000000
H        0.0777402686     0.5691884623     0.1691951390  0.00    0.0000000    0.0000000    0.0000000
C        2.3212899931     0.2669975624    -0.2710750021  0.00    0.0000000    0.0000000    0.0000000
C        2.0536246592     0.4013919167     1.1161418186  0.00    0.0000000    0.0000000    0.0000000
H        1.8486950742     1.3805558040     1.5224725691  0.00    0.0000000    0.0000000    0.0000000
H        2.4292045324    -0.3534608940     1.7922715142  0.00    0.0000000    0.0000000    0.0000000
H        2.1973303338     1.1491862857    -0.8851016229  0.00    0.0000000    0.0000000    0.0000000
C        2.9804144557    -0.9168821971    -0.8664065731  0.00    0.0000000    0.0000000    0.0000000
H        3.0661895415    -1.7266535270    -0.1473130551  0.00    0.0000000    0.0000000    0.0000000
H        2.3766229470    -1.2328095794    -1.7120673337  0.00    0.0000000    0.0000000    0.0000000
H        3.9744095294    -0.6696560531    -1.2474330304  0.00    0.0000000    0.0000000    0.0000000
18
E =    70.000000000000
C       -1.9122303243     0.1225787466    -0.0729935963  0.00    0.0000000    0.0000000    0.0000000
O       -1.3458779389     1.2702333784    -0.1203230613  0.00    0.0000000    0.0000000    0.0000000
O       -1.3075936345    -0.9338398559     0.1397049280  0.00    0.0000000    0.0000000    0.0000000
C       -3.3971940924    -0.0128527428    -0.2817468117  0.00    0.0000000    0.0000000    0.0000000
H       -3.9267432597     0.5721401187     0.4633463462  0.00    0.0000000    0.0000000    0.0000000
H       -3.6601889702     0.3483187784    -1.2710717126  0.00    0.0000000    0.0000000    0.0000000
H       -3.6603600714    -1.0649401891    -0.1873176268  0.00    0.0000000    0.0000000    0.0000000
O        0.8487818171    -0.1582019711     0.3562504689  0.00    0.0000000    0.0000000    0.0000000
H        0.0751022276     0.5668503917     0.1694492063  0.00    0.0000000    0.0000000    0.0000000
C        2.3047808385     0.2619677160    -0.2736940024  0.00    0.0000000    0.0000000    0.0000000
C        2.0375835936     0.3970699822     1.1207777313  0.00    0.0000000    0.0000000    0.0000000
H        1.8462881585     1.3790058369     1.5248345347  0.00    0.0000000    0.0000000    0.0000000
H        2.4251740248    -0.3546193969     1.7937677278  0.00    0.0000000    0.0000000    0.0000000
H        2.1942133272     1.1481119729    -0.8845321443  0.00    0.0000000    0.0000000    0.0000000
C        2.9764676709    -0.9190638331    -0.8671025836  0.00    0.0000000    0.0000000    0.0000000
H        3.0628838948    -1.7282701192    -0.1470377564  0.00    0.0000000    0.0000000    0.0000000
H        2.3750169717    -1.2353534439    -1.7134578048  0.00    0.0000000    0.0000000    0.0000000
H        3.9708384218    -0.6687542406    -1.2448664127  0.00    0.0000000    0.0000000    0.0000000
18
E =    71.000000000000
C       -1.9158168317     0.1179985349    -0.0730556041  0.00    0.0000000    0.0000000    0.0000000
O       -1.3348427546     1.2607438869    -0.1170792708  0.00    0.0000000    0.0000000    0.0000000
O       -1.3169878879    -0.9408020765     0.1391656337  0.00    0.0000000    0.0000000    0.0000000
C       -3.4020380253    -0.0075041907    -0.2838134037  0.00    0.0000000    0.0000000    0.0000000
H       -3.9318793936     0.5765187835     0.4620383754  0.00    0.0000000    0.0000000    0.0000000
H       -3.6644519201     0.3529776760    -1.2736956622  0.00    0.0000000    0.0000000    0.0000000
H       -3.6648243604    -1.0598014835    -0.1896924152  0.00    0.0000000    0.0000000    0.0000000
O        0.8825643376    -0.1363563410     0.3512607810  0.00    0.0000000    0.0000000    0.0000000
H        0.0714033243     0.5652846163     0.1693261416  0.00    0.0000000    0.0000000    0.0000000
C        2.2866965697     0.2574985711    -0.2754677008  0.00    0.0000000    0.0000000    0.0000000
C        2.0254040445     0.3952463365     1.1278000658  0.00    0.0000000    0.0000000    0.0000000
H        1.8432954086     1.3782750702     1.5284355966  0.00    0.0000000    0.0000000    0.0000000
H        2.4199868854    -0.3556075542     1.7963893673  0.00    0.0000000    0.0000000    0.0000000
H        2.1904202260     1.1470606806    -0.8834878849  0.00    0.0000000    0.0000000    0.0000000
C        2.9713179987    -0.9212242150    -0.8674949134  0.00    0.0000000    0.0000000    0.0000000
H        3.0588230628    -1.7299579729    -0.1463686249  0.00    0.0000000    0.0000000    0.0000000
H        2.3732886823    -1.2390263543    -1.7150740935  0.00    0.0000000    0.0000000    0.0000000
H        3.9663214766    -0.6672802617    -1.2409863461  0.00    0.0000000    0.0000000    0.0000000
18
E =    72.000000000000
C       -1.9186429500     0.1124327803    -0.0728633494  0.00    0.0000000    0.0000000    0.0000000
O       -1.3185174629     1.2476030767    -0.1125879106  0.00    0.0000000    0.0000000    0.0000000
O       -1.3275480370    -0.9497585039     0.1390229807  0.00    0.0000000    0.0000000    0.0000000
C       -3.4071288778     0.0000274164    -0.2864272021  0.00    0.0000000    0.0000000    0.0000000
H       -3.9380540789     0.5831474895     0.4599639390  0.00    0.0000000    0.0000000    0.0000000
H       -3.6694704839     0.3596366692    -1.2770637568  0.00    0.0000000    0.0000000    0.0000000
H       -3.6706994907    -1.0522190383    -0.1927097937  0.00    0.0000000    0.0000000    0.0000000
O        0.9089300864    -0.1152153848     0.3419359227  0.00    0.0000000    0.0000000    0.0000000
H        0.0648002096     0.5659660088     0.1678154961  0.00    0.0000000    0.0000000    0.0000000
C        2.2689349150     0.2548675172    -0.2765496672  0.00    0.0000000    0.0000000    0.0000000
C        2.0193532983     0.3972616842     1.1371122644  0.00    0.0000000    0.0000000    0.0000000
H        1.8395923703     1.3798720900     1.5340310243  0.00    0.0000000    0.0000000    0.0000000
H        2.4133708191    -0.3562821941     1.8009784690  0.00    0.0000000    0.0000000    0.0000000
H        2.1861226089     1.1466307544    -0.8819353577  0.00    0.0000000    0.0000000    0.0000000
C        2.9645580774    -0.9228208530    -0.8672605846  0.00    0.0000000    0.0000000    0.0000000
H        3.0535630519    -1.7313552148    -0.1451107397  0.00    0.0000000    0.0000000    0.0000000
H        2.3714045662    -1.2440934550    -1.7169169427  0.00    0.0000000    0.0000000    0.0000000
H        3.9603701742    -0.6647432896    -1.2351887342  0.00    0.0000000    0.0000000    0.0000000
18
E =    73.000000000000
C       -1.9200069971     0.1057973414    -0.0723623406  0.00    0.0000000    0.0000000    0.0000000
O       -1.2972649796     1.2318744626    -0.1072444824  0.00    0.0000000    0.0000000    0.0000000
O       -1.3393023285    -0.9608372511     0.1393072019  0.00    0.0000000    0.0000000    0.0000000
C       -3.4116156723     0.0098390722    -0.2895003267  0.00    0.0000000    0.0000000    0.0000000
H       -3.9445430119     0.5922128653     0.4569293919  0.00    0.0000000    0.0000000    0.0000000
H       -3.6746730523     0.3683977263    -1.2809539465  0.00    0.0000000    0.0000000    0.0000000
H       -3.6778317364    -1.0419929053    -0.1963089492  0.00    0.0000000    0.0000000    0.0000000
O        0.9256311111    -0.0970263224     0.3314275219  0.00    0.0000000    0.0000000    0.0000000
H        0.0535588506     0.5712747962     0.1638410673  0.00    0.0000000    0.0000000    0.0000000
C        2.2543381553     0.2549750657    -0.2770039253  0.00    0.0000000    0.0000000    0.0000000
C        2.0179143513     0.4025844572     1.1453395851  0.00    0.0000000    0.0000000    0.0000000
H        1.8357710653     1.3845560939     1.5410602614  0.00    0.0000000    0.0000000    0.0000000
H        2.4058082918    -0.3558145286     1.8070295120  0.00    0.0000000    0.0000000    0.0000000
H        2.1819631522     1.1479030360    -0.8806247544  0.00    0.0000000    0.0000000    0.0000000
C        2.9566650270    -0.9231238129    -0.8665142798  0.00    0.0000000    0.0000000    0.0000000
H        3.0471817471    -1.7315966444    -0.1435463173  0.00    0.0000000    0.0000000    0.0000000
H        2.3694656852    -1.2496922495    -1.7188430074  0.00    0.0000000    0.0000000    0.0000000
H        3.9532852810    -0.6608331197    -1.2281136660  0.00    0.0000000    0.0000000    0.0000000
18
E =    74.000000000000
C       -1.9198016504     0.0984950535    -0.0716828037  0.00    0.0000000    0.0000000    0.0000000
O       -1.2728092477     1.2148518238    -0.1017885592  0.00    0.0000000    0.0000000    0.0000000
O       -1.3520232520    -0.9733334152     0.1398281310  0.00    0.0000000    0.0000000    0.0000000
C       -3.4147356875     0.0212230210    -0.2926805757  0.00    0.0000000    0.0000000    0.0000000
H       -3.9501546033     0.6032030573     0.4531812840  0.00    0.0000000    0.0000000    0.0000000
H       -3.6792156130     0.3787196990    -1.2848140822  0.00    0.0000000    0.0000000    0.0000000
H       -3.6855562832    -1.0297402431    -0.2000833653  0.00    0.0000000    0.0000000    0.0000000
O        0.9326895413    -0.0823170125     0.3241795226  0.00    0.0000000    0.0000000    0.0000000
H        0.0366792437     0.5820439366     0.1571464254  0.00    0.0000000    0.0000000    0.0000000
C        2.2457984229     0.2579463396    -0.2781883411  0.00    0.0000000    0.0000000    0.0000000
C        2.0175305722     0.4093834464     1.1502197706  0.00    0.0000000    0.0000000    0.0000000
H        1.8327185408     1.3911564342     1.5474786002  0.00    0.0000000    0.0000000    0.0000000
H        2.3981522306    -0.3533092607     1.8125439012  0.00    0.0000000    0.0000000    0.0000000
H        2.1788166196     1.1511196414    -0.8806854497  0.00    0.0000000    0.0000000    0.0000000
C        2.9489177458    -0.9220845515    -0.8659984893  0.00    0.0000000    0.0000000    0.0000000
H        3.0401360836    -1.7303581304    -0.1422177604  0.00    0.0000000    0.0000000    0.0000000
H        2.3674440921    -1.2546525170    -1.7207966460  0.00    0.0000000    0.0000000    0.0000000
H        3.9460360636    -0.6561357025    -1.2214925482  0.00    0.0000000    0.0000000    0.0000000
18
E =    75.000000000000
C       -1.9188040624     0.0910858252    -0.0709203146  0.00    0.0000000    0.0000000    0.0000000
O       -1.2481689453     1.1982249207    -0.0968747243  0.00    0.0000000    0.0000000    0.0000000
O       -1.3647632181    -0.9856355969     0.1403847989  0.00    0.0000000    0.0000000    0.0000000
C       -3.4165223682     0.0328438478    -0.2955824890  0.00    0.0000000    0.0000000    0.0000000
H       -3.9542549656     0.6148212219     0.4493281768  0.00    0.0000000    0.0000000    0.0000000
H       -3.6825465352     0.3894285847    -1.2881566605  0.00    0.0000000    0.0000000    0.0000000
H       -3.6930791887    -1.0169183932    -0.2035534514  0.00    0.0000000    0.0000000    0.0000000
O        0.9358575752    -0.0703393562     0.3201262491  0.00    0.0000000    0.0000000    0.0000000
H        0.0145287900     0.5971290264     0.1489827394  0.00    0.0000000    0.0000000    0.0000000
C        2.2400141018     0.2619051399    -0.2794557316  0.00    0.0000000    0.0000000    0.0000000
C        2.0161074074     0.4161029261     1.1522573477  0.00    0.0000000    0.0000000    0.0000000
H        1.8306676984     1.3979673654     1.5520785918  0.00    0.0000000    0.0000000    0.0000000
H        2.3911939326    -0.3489612950     1.8164349069  0.00    0.0000000    0.0000000    0.0000000
H        2.1767193090     1.1553875397    -0.8819752889  0.00    0.0000000    0.0000000    0.0000000
C        2.9421975603    -0.9201909899    -0.8659143985  0.00    0.0000000    0.0000000    0.0000000
H        3.0331205152    -1.7279982275    -0.1412173152  0.00    0.0000000    0.0000000    0.0000000
H        2.3652952319    -1.2581633270    -1.7224802407  0.00    0.0000000    0.0000000    0.0000000
H        3.9395920698    -0.6515622807    -1.2163633776  0.00    0.0000000    0.0000000    0.0000000
18
E =    76.000000000000
C       -1.9177884786     0.0837789767    -0.0701549267  0.00    0.0000000    0.0000000    0.0000000
O       -1.2246563560     1.1826348610    -0.0926143398  0.00    0.0000000    0.0000000    0.0000000
O       -1.3769239727    -0.9968868457     0.1409341025  0.00    0.0000000    0.0000000    0.0000000
C       -3.4175056644     0.0440036883    -0.2980978224  0.00    0.0000000    0.0000000    0.0000000
H       -3.9570741466     0.6263092288     0.4457129059  0.00    0.0000000    0.0000000    0.0000000
H       -3.6848105132     0.3998371949    -1.2909764570  0.00    0.0000000    0.0000000    0.0000000
H       -3.7000914301    -1.0044130371    -0.2065928217  0.00    0.0000000    0.0000000    0.0000000
O        0.9381534942    -0.0605025520     0.3176173529  0.00    0.0000000    0.0000000    0.0000000
H       -0.0125544480     0.6152443980     0.1402296591  0.00    0.0000000    0.0000000    0.0000000
C        2.2349391665     0.2658397656    -0.2805826839  0.00    0.0000000    0.0000000    0.0000000
C        2.0139414048     0.4223831362     1.1530978233  0.00    0.0000000    0.0000000    0.0000000
H        1.8291542529     1.4044998961     1.5550573488  0.00    0.0000000    0.0000000    0.0000000
H        2.3852237898    -0.3436077248     1.8190771361  0.00    0.0000000    0.0000000    0.0000000
H        2.1751691972     1.1597266827    -0.8837113142  0.00    0.0000000    0.0000000    0.0000000
C        2.9364865756    -0.9177881180    -0.8660217189  0.00    0.0000000    0.0000000    0.0000000
H        3.0264405976    -1.7250366271    -0.1403518457  0.00    0.0000000    0.0000000    0.0000000
H        2.3629936502    -1.2603146516    -1.7237429191  0.00    0.0000000    0.0000000    0.0000000
H        3.9341016125    -0.6474627111    -1.2125998990  0.00    0.0000000    0.0000000    0.0000000
18
E =    77.000000000000
C       -1.9174477439     0.0767757541    -0.0695032212  0.00    0.0000000    0.0000000    0.0000000
O       -1.2036143137     1.1690018250    -0.0891802837  0.00    0.0000000    0.0000000    0.0000000
O       -1.3880704809    -1.0063149733     0.1414540010  0.00    0.0000000    0.0000000    0.0000000
C       -3.4182721992     0.0541257125    -0.3002429170  0.00    0.0000000    0.0000000    0.0000000
H       -3.9592101004     0.6369370879     0.4424866303  0.00    0.0000000    0.0000000    0.0000000
H       -3.6865107035     0.4092406834    -1.2933832850  0.00    0.0000000    0.0000000    0.0000000
H       -3.7065104040    -0.9929809951    -0.2091014576  0.00    0.0000000    0.0000000    0.0000000
O        0.9416583515    -0.0536826389     0.3163310146  0.00    0.0000000    0.0000000    0.0000000
H       -0.0452487587     0.6362192084     0.1310689775  0.00    0.0000000    0.0000000    0.0000000
C        2.2303917315     0.2695029061    -0.2816651572  0.00    0.0000000    0.0000000    0.0000000
C        2.0113368614     0.4281448978     1.1533884227  0.00    0.0000000    0.0000000    0.0000000
H        1.8275318995     1.4107901478     1.5566488800  0.00    0.0000000    0.0000000    0.0000000
H        2.3802859072    -0.3376705396     1.8209404492  0.00    0.0000000    0.0000000    0.0000000
H        2.1735332236     1.1638344424    -0.8856262471  0.00    0.0000000    0.0000000    0.0000000
C        2.9316399399    -0.9149864999    -0.8661875913  0.00    0.0000000    0.0000000    0.0000000
H        3.0202134067    -1.7216290915    -0.1394972296  0.00    0.0000000    0.0000000    0.0000000
H        2.3604355813    -1.2612340412    -1.7245724454  0.00    0.0000000    0.0000000    0.0000000
H        3.9293735879    -0.6437771273    -1.2099985872  0.00    0.0000000    0.0000000    0.0000000
18
E =    78.000000000000
C       -1.9176822250     0.0700903778    -0.0689485948  0.00    0.0000000    0.0000000    0.0000000
O       -1.1844993969     1.1568839040    -0.0862944687  0.00    0.0000000    0.0000000    0.0000000
O       -1.3981614721    -1.0143669811     0.1419841901  0.00    0.0000000    0.0000000    0.0000000
C       -3.4189945013     0.0632960989    -0.3021278738  0.00    0.0000000    0.0000000    0.0000000
H       -3.9608935739     0.6467152627     0.4396040326  0.00    0.0000000    0.0000000    0.0000000
H       -3.6878267732     0.4177244351    -1.2955062071  0.00    0.0000000    0.0000000    0.0000000
H       -3.7123870866    -0.9825983497    -0.2112182401  0.00    0.0000000    0.0000000    0.0000000
O        0.9455432033    -0.0484729310     0.3155922956  0.00    0.0000000    0.0000000    0.0000000
H       -0.0815430709     0.6584573495     0.1217976754  0.00    0.0000000    0.0000000    0.0000000
C        2.2262810232     0.2727754165    -0.2826664757  0.00    0.0000000    0.0000000    0.0000000
C        2.0087554931     0.4333022682     1.1535299158  0.00    0.0000000    0.0000000    0.0000000
H        1.8257492692     1.4166681730     1.5574137122  0.00    0.0000000    0.0000000    0.0000000
H        2.3763592744    -0.3316884991     1.8225028740  0.00    0.0000000    0.0000000    0.0000000
H        2.1717958416     1.1675315583    -0.8874756867  0.00    0.0000000    0.0000000    0.0000000
C        2.9275581947    -0.9120997184    -0.8664109604  0.00    0.0000000    0.0000000    0.0000000
H        3.0144457542    -1.7181124352    -0.1386581781  0.00    0.0000000    0.0000000    0.0000000
H        2.3577728002    -1.2614038161    -1.7250614982  0.00    0.0000000    0.0000000    0.0000000
H        3.9252983683    -0.6405567697    -1.2081705536  0.00    0.0000000    0.0000000    0.0000000
18
E =    79.000000000000
C       -1.9183290130     0.0634942833    -0.0684386641  0.00    0.0000000    0.0000000    0.0000000
O       -1.1684719432     1.1465541359    -0.0840772274  0.00    0.0000000    0.0000000    0.0000000
O       -1.4074159351    -1.0215066041     0.1425386893  0.00    0.0000000    0.0000000    0.0000000
C       -3.4195852287     0.0719543139    -0.3038350228  0.00    0.0000000    0.0000000    0.0000000
H       -3.9621495363     0.6561162613     0.4369815227  0.00    0.0000000    0.0000000    0.0000000
H       -3.6887747233     0.4258097622    -1.2974330078  0.00    0.0000000    0.0000000    0.0000000
H       -3.7179184425    -0.9726956115    -0.2131000564  0.00    0.0000000    0.0000000    0.0000000
O        0.9507425790    -0.0450144862     0.3153761625  0.00    0.0000000    0.0000000    0.0000000
H       -0.1205763422     0.6816544065     0.1124257378  0.00    0.0000000    0.0000000    0.0000000
C        2.2227339754     0.2757146103    -0.2835801350  0.00    0.0000000    0.0000000    0.0000000
C        2.0065086992     0.4380195254     1.1536925721  0.00    0.0000000    0.0000000    0.0000000
H        1.8239378510     1.4222264486     1.5577228041  0.00    0.0000000    0.0000000    0.0000000
H        2.3733588235    -0.3257336234     1.8240478861  0.00    0.0000000    0.0000000    0.0000000
H        2.1700506213     1.1709062586    -0.8892755624  0.00    0.0000000    0.0000000    0.0000000
C        2.9240947858    -0.9092084017    -0.8666972673  0.00    0.0000000    0.0000000    0.0000000
H        3.0090090252    -1.7145727140    -0.1378458829  0.00    0.0000000    0.0000000    0.0000000
H        2.3550891599    -1.2611410264    -1.7253561858  0.00    0.0000000    0.0000000    0.0000000
H        3.9217591539    -0.6376928974    -1.2068785837  0.00    0.0000000    0.0000000    0.0000000
18
E =    80.000000000000
C       -1.9191464412     0.0564458204    -0.0678529738  0.00    0.0000000    0.0000000    0.0000000
O       -1.1570511022     1.1381681333    -0.0827328185  0.00    0.0000000    0.0000000    0.0000000
O       -1.4162072383    -1.0289147814     0.1432217375  0.00    0.0000000    0.0000000    0.0000000
C       -3.4195529379     0.0810731599    -0.3054138507  0.00    0.0000000    0.0000000    0.0000000
H       -3.9623148060     0.6663871504     0.4345147737  0.00    0.0000000    0.0000000    0.0000000
H       -3.6886646121     0.4347987033    -1.2992140563  0.00    0.0000000    0.0000000    0.0000000
H       -3.7233421799    -0.9619695445    -0.2150057449  0.00    0.0000000    0.0000000    0.0000000
O        0.9571927069    -0.0428509185     0.3155661909  0.00    0.0000000    0.0000000    0.0000000
H       -0.1607552184     0.7059324750     0.1029915069  0.00    0.0000000    0.0000000    0.0000000
C        2.2202946578     0.2783903137    -0.2844228181  0.00    0.0000000    0.0000000    0.0000000
C        2.0053651208     0.4423902444     1.1541411294  0.00    0.0000000    0.0000000    0.0000000
H        1.8227373823     1.4274872038     1.5580377319  0.00    0.0000000    0.0000000    0.0000000
H        2.3716696138    -0.3198448138     1.8259431574  0.00    0.0000000    0.0000000    0.0000000
H        2.1688936808     1.1740344505    -0.8909637188  0.00    0.0000000    0.0000000    0.0000000
C        2.9214109293    -0.9064461667    -0.8671240525  0.00    0.0000000    0.0000000    0.0000000
H        3.0037830561    -1.7111179615    -0.1371107439  0.00    0.0000000    0.0000000    0.0000000
H        2.3526892865    -1.2607369479    -1.7255922173  0.00    0.0000000    0.0000000    0.0000000
H        3.9189954653    -0.6352814323    -1.2058946168  0.00    0.0000000    0.0000000    0.0000000
18
E =    81.000000000000
C       -1.9202769841     0.0480251707    -0.0670733946  0.00    0.0000000    0.0000000    0.0000000
O       -1.1548173169     1.1326897343    -0.0829182741  0.00    0.0000000    0.0000000    0.0000000
O       -1.4245027548    -1.0378109562     0.1441988316  0.00    0.0000000    0.0000000    0.0000000
C       -3.4181092793     0.0919871551    -0.3068724388  0.00    0.0000000    0.0000000    0.0000000
H       -3.9596583018     0.6796946006     0.4322628556  0.00    0.0000000    0.0000000    0.0000000
H       -3.6858254436     0.4470157619    -1.3007338864  0.00    0.0000000    0.0000000    0.0000000
H       -3.7290731288    -0.9483215926    -0.2173090595  0.00    0.0000000    0.0000000    0.0000000
O        0.9655124760    -0.0418150024     0.3162841944  0.00    0.0000000    0.0000000    0.0000000
H       -0.1990482883     0.7313942020     0.0938514991  0.00    0.0000000    0.0000000    0.0000000
C        2.2202717920     0.2806585156    -0.2850130864  0.00    0.0000000    0.0000000    0.0000000
C        2.0068671670     0.4462078611     1.1551688816  0.00    0.0000000    0.0000000    0.0000000
H        1.8235404230     1.4321267740     1.5589309377  0.00    0.0000000    0.0000000    0.0000000
H        2.3726345799    -0.3142507156     1.8288004576  0.00    0.0000000    0.0000000    0.0000000
H        2.1696111400     1.1767919516    -0.8923442639  0.00    0.0000000    0.0000000    0.0000000
C        2.9202599217    -0.9041680617    -0.8678877305  0.00    0.0000000    0.0000000    0.0000000
H        2.9988965062    -1.7080982095    -0.1366062722  0.00    0.0000000    0.0000000    0.0000000
H        2.3512645845    -1.2605015942    -1.7259635263  0.00    0.0000000    0.0000000    0.0000000
H        3.9178652867    -0.6338086607    -1.2051676817  0.00    0.0000000    0.0000000    0.0000000
18
E =    82.000000000000
C       -1.9229606225     0.0381755867    -0.0661708582  0.00    0.0000000    0.0000000    0.0000000
O       -1.1686179649     1.1317868737    -0.0855691679  0.00    0.0000000    0.0000000    0.0000000
O       -1.4309225252    -1.0481417557     0.1454569511  0.00    0.0000000    0.0000000    0.0000000
C       -3.4148433009     0.1047168168    -0.3079911288  0.00    0.0000000    0.0000000    0.0000000
H       -3.9510930124     0.6980286131     0.4307173724  0.00    0.0000000    0.0000000    0.0000000
H       -3.6772913012     0.4648424652    -1.3015477878  0.00    0.0000000    0.0000000    0.0000000
H       -3.7361508174    -0.9306424906    -0.2203470491  0.00    0.0000000    0.0000000    0.0000000
O        0.9752075287    -0.0418130238     0.3179807792  0.00    0.0000000    0.0000000    0.0000000
H       -0.2257737342     0.7559869209     0.0867010476  0.00    0.0000000    0.0000000    0.0000000
C        2.2250800896     0.2820825268    -0.2849934530  0.00    0.0000000    0.0000000    0.0000000
C        2.0135474507     0.4485654721     1.1569061255  0.00    0.0000000    0.0000000    0.0000000
H        1.8288678556     1.4348683573     1.5610021633  0.00    0.0000000    0.0000000    0.0000000
H        2.3789025312    -0.3099606862     1.8330535062  0.00    0.0000000    0.0000000    0.0000000
H        2.1744081679     1.1785178073    -0.8928910999  0.00    0.0000000    0.0000000    0.0000000
C        2.9222342514    -0.9032533053    -0.8691997851  0.00    0.0000000    0.0000000    0.0000000
H        2.9954413798    -1.7064845095    -0.1368033948  0.00    0.0000000    0.0000000    0.0000000
H        2.3523046492    -1.2606673183    -1.7267659880  0.00    0.0000000    0.0000000    0.0000000
H        3.9203001934    -0.6344437634    -1.2049450447  0.00    0.0000000    0.0000000    0.0000000
18
E =    83.000000000000
C       -1.9277917836     0.0285586620    -0.0655500649  0.00    0.0000000    0.0000000    0.0000000
O       -1.1856603382     1.1307995996    -0.0885231410  0.00    0.0000000    0.0000000    0.0000000
O       -1.4360842775    -1.0571099272     0.1464901762  0.00    0.0000000    0.0000000    0.0000000
C       -3.4129996063     0.1161715056    -0.3089854941  0.00    0.0000000    0.0000000    0.0000000
H       -3.9387362723     0.7184458190     0.4299684773  0.00    0.0000000    0.0000000    0.0000000
H       -3.6651391494     0.4852147294    -1.3018779604  0.00    0.0000000    0.0000000    0.0000000
H       -3.7471297731    -0.9133094417    -0.2240136174  0.00    0.0000000    0.0000000    0.0000000
O        0.9832608319    -0.0398361623     0.3200982849  0.00    0.0000000    0.0000000    0.0000000
H       -0.2451872115     0.7783693870     0.0810806414  0.00    0.0000000    0.0000000    0.0000000
C        2.2318474596     0.2828323137    -0.2844312989  0.00    0.0000000    0.0000000    0.0000000
C        2.0226503823     0.4496214776     1.1585006229  0.00    0.0000000    0.0000000    0.0000000
H        1.8373982541     1.4358933094     1.5634355766  0.00    0.0000000    0.0000000    0.0000000
H        2.3888703731    -0.3067138614     1.8373665598  0.00    0.0000000    0.0000000    0.0000000
H        2.1816851665     1.1793337619    -0.8927763665  0.00    0.0000000    0.0000000    0.0000000
C        2.9260436010    -0.9032786568    -0.8707313110  0.00    0.0000000    0.0000000    0.0000000
H        2.9936166545    -1.7061868799    -0.1377049675  0.00    0.0000000    0.0000000    0.0000000
H        2.3551339440    -1.2607147427    -1.7280466450  0.00    0.0000000    0.0000000    0.0000000
H        3.9251195879    -0.6367545478    -1.2053787153  0.00    0.0000000    0.0000000    0.0000000
18
E =    84.000000000000
C       -1.9335153766     0.0197407804    -0.0651897698  0.00    0.0000000    0.0000000    0.0000000
O       -1.2021884038     1.1293140831    -0.0912901975  0.00    0.0000000    0.0000000    0.0000000
O       -1.4411707661    -1.0649527816     0.1471643658  0.00    0.0000000    0.0000000    0.0000000
C       -3.4131774799     0.1258110856    -0.3099596715  0.00    0.0000000    0.0000000    0.0000000
H       -3.9246597640     0.7392699522     0.4297885657  0.00    0.0000000    0.0000000    0.0000000
H       -3.6513891852     0.5063138896    -1.3019357534  0.00    0.0000000    0.0000000    0.0000000
H       -3.7633401213    -0.8974051563    -0.2283977509  0.00    0.0000000    0.0000000    0.0000000
O        0.9905507577    -0.0361677927     0.3226111534  0.00    0.0000000    0.0000000    0.0000000
H       -0.2605928546     0.7980916891     0.0765685225  0.00    0.0000000    0.0000000    0.0000000
C        2.2390893201     0.2832170705    -0.2837436802  0.00    0.0000000    0.0000000    0.0000000
C        2.0326869011     0.4500375614     1.1599369748  0.00    0.0000000    0.0000000    0.0000000
H        1.8483991847     1.4360771024     1.5659872694  0.00    0.0000000    0.0000000    0.0000000
H        2.4009405940    -0.3042532545     1.8407732083  0.00    0.0000000    0.0000000    0.0000000
H        2.1904689357     1.1797517699    -0.8922681007  0.00    0.0000000    0.0000000    0.0000000
C        2.9305936881    -0.9038142480    -0.8722372104  0.00    0.0000000    0.0000000    0.0000000
H        2.9932227344    -1.7069348734    -0.1392624533  0.00    0.0000000    0.0000000    0.0000000
H        2.3591852890    -1.2603440454    -1.7298228058  0.00    0.0000000    0.0000000    0.0000000
H        3.9309893214    -0.6400984363    -1.2060944747  0.00    0.0000000    0.0000000    0.0000000
18
E =    85.000000000000
C       -1.9398103088     0.0116066639    -0.0650694757  0.00    0.0000000    0.0000000    0.0000000
O       -1.2167145978     1.1271655056    -0.0937058165  0.00    0.0000000    0.0000000    0.0000000
O       -1.4467673225    -1.0720482786     0.1475206400  0.00    0.0000000    0.0000000    0.0000000
C       -3.4150837016     0.1340762733    -0.3109901557  0.00    0.0000000    0.0000000    0.0000000
H       -3.9106092802     0.7593196531     0.4297641619  0.00    0.0000000    0.0000000    0.0000000
H       -3.6378100376     0.5269209867    -1.3017489571  0.00    0.0000000    0.0000000    0.0000000
H       -3.7843229178    -0.8823160477    -0.2335020591  0.00    0.0000000    0.0000000    0.0000000
O        0.9975421933    -0.0314786127     0.3254496419  0.00    0.0000000    0.0000000    0.0000000
H       -0.2745602989     0.8148768497     0.0728740306  0.00    0.0000000    0.0000000    0.0000000
C        2.2462968926     0.2835400094    -0.2830987042  0.00    0.0000000    0.0000000    0.0000000
C        2.0431484117     0.4504022944     1.1612093142  0.00    0.0000000    0.0000000    0.0000000
H        1.8613087046     1.4362855605     1.5685768874  0.00    0.0000000    0.0000000    0.0000000
H        2.4139811480    -0.3024090191     1.8429321578  0.00    0.0000000    0.0000000    0.0000000
H        2.2000402942     1.1802102031    -0.8915749769  0.00    0.0000000    0.0000000    0.0000000
C        2.9352854824    -0.9045053974    -0.8736071227  0.00    0.0000000    0.0000000    0.0000000
H        2.9938941987    -1.7083977411    -0.1413048821  0.00    0.0000000    0.0000000    0.0000000
H        2.3639502120    -1.2594294792    -1.7320155330  0.00    0.0000000    0.0000000    0.0000000
H        3.9370617821    -0.6438112396    -1.2067092323  0.00    0.0000000    0.0000000    0.0000000
18
E =    86.000000000000
C       -1.9465848904     0.0039501769    -0.0651386901  0.00    0.0000000    0.0000000    0.0000000
O       -1.2301282508     1.1243683736    -0.0958820092  0.00    0.0000000    0.0000000    0.0000000
O       -1.4529731802    -1.0788177954     0.1475906655  0.00    0.0000000    0.0000000    0.0000000
C       -3.4182097983     0.1417346066    -0.3121018229  0.00    0.0000000    0.0000000    0.0000000
H       -3.8974218058     0.7782987342     0.4297223892  0.00    0.0000000    0.0000000    0.0000000
H       -3.6252833645     0.5467240532    -1.3013320356  0.00    0.0000000    0.0000000    0.0000000
H       -3.8086912788    -0.8669775979    -0.2392394673  0.00    0.0000000    0.0000000    0.0000000
O        1.0045050821    -0.0260808651     0.3286061344  0.00    0.0000000    0.0000000    0.0000000
H       -0.2863945591     0.8281269071     0.0701813341  0.00    0.0000000    0.0000000    0.0000000
C        2.2536808243     0.2838981386    -0.2824889290  0.00    0.0000000    0.0000000    0.0000000
C        2.0542822699     0.4509329726     1.1623430332  0.00    0.0000000    0.0000000    0.0000000
H        1.8762061113     1.4367854216     1.5712417731  0.00    0.0000000    0.0000000    0.0000000
H        2.4276383289    -0.3012688000     1.8438678515  0.00    0.0000000    0.0000000    0.0000000
H        2.2102872945     1.1808098094    -0.8907372483  0.00    0.0000000    0.0000000    0.0000000
C        2.9400585954    -0.9053151226    -0.8748314960  0.00    0.0000000    0.0000000    0.0000000
H        2.9954276573    -1.7104173398    -0.1436987105  0.00    0.0000000    0.0000000    0.0000000
H        2.3692902886    -1.2580775191    -1.7345459348  0.00    0.0000000    0.0000000    0.0000000
H        3.9432192454    -0.6475438012    -1.2069549543  0.00    0.0000000    0.0000000    0.0000000
18
E =    87.000000000000
C       -1.9539819893    -0.0033335066    -0.0654106636  0.00    0.0000000    0.0000000    0.0000000
O       -1.2417201829     1.1205954103    -0.0977026018  0.00    0.0000000    0.0000000    0.0000000
O       -1.4602593978    -1.0854587803     0.1474137512  0.00    0.0000000    0.0000000    0.0000000
C       -3.4225827485     0.1491333642    -0.3133737200  0.00    0.0000000    0.0000000    0.0000000
H       -3.8859696944     0.7959027986     0.4294790415  0.00    0.0000000    0.0000000    0.0000000
H       -3.6146375034     0.5653216209    -1.3008180389  0.00    0.0000000    0.0000000    0.0000000
H       -3.8350826412    -0.8509313663    -0.2453983117  0.00    0.0000000    0.0000000    0.0000000
O        1.0117519715    -0.0200750154     0.3320334770  0.00    0.0000000    0.0000000    0.0000000
H       -0.2976436910     0.8375925684     0.0682883656  0.00    0.0000000    0.0000000    0.0000000
C        2.2611649958     0.2844338212    -0.2819503092  0.00    0.0000000    0.0000000    0.0000000
C        2.0660030435     0.4518311932     1.1633284137  0.00    0.0000000    0.0000000    0.0000000
H        1.8928200444     1.4378658446     1.5737839977  0.00    0.0000000    0.0000000    0.0000000
H        2.4415339146    -0.3005635657     1.8438084939  0.00    0.0000000    0.0000000    0.0000000
H        2.2208502681     1.1816452762    -0.8899274702  0.00    0.0000000    0.0000000    0.0000000
C        2.9448162091    -0.9060661725    -0.8759184852  0.00    0.0000000    0.0000000    0.0000000
H        2.9974392295    -1.7126548917    -0.1462514938  0.00    0.0000000    0.0000000    0.0000000
H        2.3749742355    -1.2562995250    -1.7372656859  0.00    0.0000000    0.0000000    0.0000000
H        3.9493340053    -0.6509557061    -1.2067007729  0.00    0.0000000    0.0000000    0.0000000
18
E =    88.000000000000
C       -1.9619135274    -0.0102355354    -0.0658686031  0.00    0.0000000    0.0000000    0.0000000
O       -1.2520535467     1.1158253532    -0.0992187268  0.00    0.0000000    0.0000000    0.0000000
O       -1.4688577244    -1.0922002515     0.1470263843  0.00    0.0000000    0.0000000    0.0000000
C       -3.4278839624     0.1566645626    -0.3148191224  0.00    0.0000000    0.0000000    0.0000000
H       -3.8767275880     0.8124661162     0.4291323039  0.00    0.0000000    0.0000000    0.0000000
H       -3.6063005909     0.5828987220    -1.3005720449  0.00    0.0000000    0.0000000    0.0000000
H       -3.8622126399    -0.8346947559    -0.2516635078  0.00    0.0000000    0.0000000    0.0000000
O        1.0193622514    -0.0136619023     0.3357742248  0.00    0.0000000    0.0000000    0.0000000
H       -0.3075320015     0.8431676779     0.0672573358  0.00    0.0000000    0.0000000    0.0000000
C        2.2689073061     0.2851862826    -0.2815306884  0.00    0.0000000    0.0000000    0.0000000
C        2.0784496543     0.4531501838     1.1641555596  0.00    0.0000000    0.0000000    0.0000000
H        1.9111822317     1.4395632656     1.5761071855  0.00    0.0000000    0.0000000    0.0000000
H        2.4557220803    -0.3000599672     1.8430326680  0.00    0.0000000    0.0000000    0.0000000
H        2.2317080598     1.1826649445    -0.8892375286  0.00    0.0000000    0.0000000    0.0000000
C        2.9497002658    -0.9066818766    -0.8768904579  0.00    0.0000000    0.0000000    0.0000000
H        2.9997899820    -1.7148714156    -0.1488129344  0.00    0.0000000    0.0000000    0.0000000
H        2.3810275757    -1.2542110078    -1.7400780243  0.00    0.0000000    0.0000000    0.0000000
H        3.9555807913    -0.6539155730    -1.2059248441  0.00    0.0000000    0.0000000    0.0000000
18
E =    89.000000000000
C       -1.9704629491    -0.0166675605    -0.0664991342  0.00    0.0000000    0.0000000    0.0000000
O       -1.2608942024     1.1100457185    -0.1004045729  0.00    0.0000000    0.0000000    0.0000000
O       -1.4791063131    -1.0990701844     0.1464147831  0.00    0.0000000    0.0000000    0.0000000
C       -3.4341835111     0.1642998758    -0.3164346926  0.00    0.0000000    0.0000000    0.0000000
H       -3.8698498936     0.8277499835     0.4285009539  0.00    0.0000000    0.0000000    0.0000000
H       -3.6004130583     0.5991451562    -1.3004964863  0.00    0.0000000    0.0000000    0.0000000
H       -3.8887927094    -0.8182182373    -0.2577950379  0.00    0.0000000    0.0000000    0.0000000
O        1.0274833842    -0.0070018570     0.3397946891  0.00    0.0000000    0.0000000    0.0000000
H       -0.3163482910     0.8449440335     0.0669719059  0.00    0.0000000    0.0000000    0.0000000
C        2.2769187815     0.2861960087    -0.2812348791  0.00    0.0000000    0.0000000    0.0000000
C        2.0916240785     0.4549438602     1.1648294537  0.00    0.0000000    0.0000000    0.0000000
H        1.9309764705     1.4419242925     1.5780341115  0.00    0.0000000    0.0000000    0.0000000
H        2.4702055966    -0.2994664191     1.8418332049  0.00    0.0000000    0.0000000    0.0000000
H        2.2426463511     1.1838854175    -0.8887660963  0.00    0.0000000    0.0000000    0.0000000
C        2.9547834932    -0.9070678112    -0.8777579631  0.00    0.0000000    0.0000000    0.0000000
H        3.0023322121    -1.7168268795    -0.1512365564  0.00    0.0000000    0.0000000    0.0000000
H        2.3874675350    -1.2518579676    -1.7428847438  0.00    0.0000000    0.0000000    0.0000000
H        3.9620309605    -0.6563427402    -1.2046604751  0.00    0.0000000    0.0000000    0.0000000
18
E =    90.000000000000
C       -1.9795383757    -0.0226163637    -0.0672768905  0.00    0.0000000    0.0000000    0.0000000
O       -1.2682519970     1.1033603183    -0.1012514246  0.00    0.0000000    0.0000000    0.0000000
O       -1.4910737420    -1.1061164793     0.1456008676  0.00    0.0000000    0.0000000    0.0000000
C       -3.4412256903     0.1720538535    -0.3181965820  0.00    0.0000000    0.0000000    0.0000000
H       -3.8653346486     0.8419088247     0.4276300594  0.00    0.0000000    0.0000000    0.0000000
H       -3.5969118644     0.6141011718    -1.3007081792  0.00    0.0000000    0.0000000    0.0000000
H       -3.9140999844    -0.8020224931    -0.2635804136  0.00    0.0000000    0.0000000    0.0000000
O        1.0360518333    -0.0001908014     0.3440354922  0.00    0.0000000    0.0000000    0.0000000
H       -0.3239861146     0.8432280647     0.0673539103  0.00    0.0000000    0.0000000    0.0000000
C        2.2851500486     0.2874648996    -0.2810670502  0.00    0.0000000    0.0000000    0.0000000
C        2.1053771487     0.4571940254     1.1653475193  0.00    0.0000000    0.0000000    0.0000000
H        1.9517699759     1.4448904493     1.5794744182  0.00    0.0000000    0.0000000    0.0000000
H        2.4849884303    -0.2985315712     1.8404194197  0.00    0.0000000    0.0000000    0.0000000
H        2.2534844126     1.1852503730    -0.8885579970  0.00    0.0000000    0.0000000    0.0000000
C        2.9600842714    -0.9071911769    -0.8785404824  0.00    0.0000000    0.0000000    0.0000000
H        3.0050156852    -1.7183905739    -0.1534304265  0.00    0.0000000    0.0000000    0.0000000
H        2.3942825489    -1.2493067439    -1.7456535459  0.00    0.0000000    0.0000000    0.0000000
H        3.9687199353    -0.6583109762    -1.2029862916  0.00    0.0000000    0.0000000    0.0000000
18
E =    91.000000000000
C       -1.9890229762    -0.0280534841    -0.0681675238  0.00    0.0000000    0.0000000    0.0000000
O       -1.2742556623     1.0959254104    -0.1017859043  0.00    0.0000000    0.0000000    0.0000000
O       -1.5045915514    -1.1132621428     0.1445975769  0.00    0.0000000    0.0000000    0.0000000
C       -3.4487971113     0.1798799079    -0.3200623212  0.00    0.0000000    0.0000000    0.0000000
H       -3.8629632630     0.8550501732     0.4265322877  0.00    0.0000000    0.0000000    0.0000000
H       -3.5955289995     0.6278533260    -1.3012454582  0.00    0.0000000    0.0000000    0.0000000
H       -3.9377570894    -0.7863899408    -0.2689508913  0.00    0.0000000    0.0000000    0.0000000
O        1.0450032372     0.0065266959     0.3484714303  0.00    0.0000000    0.0000000    0.0000000
H       -0.3305582292     0.8384739347     0.0683191881  0.00    0.0000000    0.0000000    0.0000000
C        2.2934889222     0.2889706463    -0.2810361714  0.00    0.0000000    0.0000000    0.0000000
C        2.1195287778     0.4598947742     1.1656940101  0.00    0.0000000    0.0000000    0.0000000
H        1.9730667389     1.4484275707     1.5803819327  0.00    0.0000000    0.0000000    0.0000000
H        2.5001017103    -0.2970635826     1.8389390169  0.00    0.0000000    0.0000000    0.0000000
H        2.2640033641     1.1867425732    -0.8886174172  0.00    0.0000000    0.0000000    0.0000000
C        2.9656002890    -0.9070321222    -0.8792399729  0.00    0.0000000    0.0000000    0.0000000
H        3.0077676833    -1.7194924751    -0.1553632780  0.00    0.0000000    0.0000000    0.0000000
H        2.4014422622    -1.2465925710    -1.7483647685  0.00    0.0000000    0.0000000    0.0000000
H        3.9756497057    -0.6598660503    -1.2009897379  0.00    0.0000000    0.0000000    0.0000000
18
E =    92.000000000000
C       -1.9988471635    -0.0330400566    -0.0691428357  0.00    0.0000000    0.0000000    0.0000000
O       -1.2791472844     1.0879391640    -0.1020316047  0.00    0.0000000    0.0000000    0.0000000
O       -1.5195195032    -1.1204698094     0.1434205270  0.00    0.0000000    0.0000000    0.0000000
C       -3.4566834551     0.1877195046    -0.3220069864  0.00    0.0000000    0.0000000    0.0000000
H       -3.8623775644     0.8673165377     0.4252638353  0.00    0.0000000    0.0000000    0.0000000
H       -3.5958516809     0.6405526876    -1.3020796118  0.00    0.0000000    0.0000000    0.0000000
H       -3.9596031742    -0.7715053302    -0.2738972357  0.00    0.0000000    0.0000000    0.0000000
O        1.0543884206     0.0130891849     0.3530529272  0.00    0.0000000    0.0000000    0.0000000
H       -0.3363496963     0.8311680112     0.0697160669  0.00    0.0000000    0.0000000    0.0000000
C        2.3019137295     0.2906656351    -0.2811219641  0.00    0.0000000    0.0000000    0.0000000
C        2.1339339813     0.4630092970     1.1659115432  0.00    0.0000000    0.0000000    0.0000000
H        1.9943474507     1.4524219612     1.5807768242  0.00    0.0000000    0.0000000    0.0000000
H        2.5154927164    -0.2950091724     1.8374957395  0.00    0.0000000    0.0000000    0.0000000
H        2.2740271846     1.1883025730    -0.8889697286  0.00    0.0000000    0.0000000    0.0000000
C        2.9713059675    -0.9066369603    -0.8798874449  0.00    0.0000000    0.0000000    0.0000000
H        3.0105544130    -1.7202007782    -0.1570737951  0.00    0.0000000    0.0000000    0.0000000
H        2.4088691281    -1.2437617126    -1.7510050049  0.00    0.0000000    0.0000000    0.0000000
H        3.9827504825    -0.6611482921    -1.1987859541  0.00    0.0000000    0.0000000    0.0000000
18
E =    93.000000000000
C       -2.0088101558    -0.0376480897    -0.0701683225  0.00    0.0000000    0.0000000    0.0000000
O       -1.2831967548     1.0795145821    -0.1020105758  0.00    0.0000000    0.0000000    0.0000000
O       -1.5353354518    -1.1276908891     0.1421176806  0.00    0.0000000    0.0000000    0.0000000
C       -3.4648034211     0.1956251022    -0.3240297078  0.00    0.0000000    0.0000000    0.0000000
H       -3.8631575384     0.8790149256     0.4237970936  0.00    0.0000000    0.0000000    0.0000000
H       -3.5974236921     0.6525061485    -1.3031846731  0.00    0.0000000    0.0000000    0.0000000
H       -3.9800067322    -0.7572819816    -0.2785278808  0.00    0.0000000    0.0000000    0.0000000
O        1.0639737512     0.0193865403     0.3577344147  0.00    0.0000000    0.0000000    0.0000000
H       -0.3415218418     0.8220611052     0.0714709733  0.00    0.0000000    0.0000000    0.0000000
C        2.3103311603     0.2925124132    -0.2813281730  0.00    0.0000000    0.0000000    0.0000000
C        2.1484401464     0.4664785567     1.1660079350  0.00    0.0000000    0.0000000    0.0000000
H        2.0153718514     1.4568317058     1.5807553866  0.00    0.0000000    0.0000000    0.0000000
H        2.5311687147    -0.2923122075     1.8361240048  0.00    0.0000000    0.0000000    0.0000000
H        2.2835602361     1.1898875306    -0.8895904360  0.00    0.0000000    0.0000000    0.0000000
C        2.9771400358    -0.9060606174    -0.8804876507  0.00    0.0000000    0.0000000    0.0000000
H        3.0133178531    -1.7205848262    -0.1585744801  0.00    0.0000000    0.0000000    0.0000000
H        2.4164966157    -1.2408382416    -1.7535891287  0.00    0.0000000    0.0000000    0.0000000
H        3.9900326783    -0.6622667707    -1.1964205227  0.00    0.0000000    0.0000000    0.0000000
18
E =    94.000000000000
C       -2.0189006950    -0.0420022500    -0.0712040478  0.00    0.0000000    0.0000000    0.0000000
O       -1.2866660680     1.0708340146    -0.1017543184  0.00    0.0000000    0.0000000    0.0000000
O       -1.5517730520    -1.1348378803     0.1408372146  0.00    0.0000000    0.0000000    0.0000000
C       -3.4729964385     0.2035397502    -0.3261830814  0.00    0.0000000    0.0000000    0.0000000
H       -3.8648593458     0.8902291730     0.4221176347  0.00    0.0000000    0.0000000    0.0000000
H       -3.5997646739     0.6639503945    -1.3044914454  0.00    0.0000000    0.0000000    0.0000000
H       -3.9992568574    -0.7434128321    -0.2830650092  0.00    0.0000000    0.0000000    0.0000000
O        1.0737103869     0.0253791169     0.3624023386  0.00    0.0000000    0.0000000    0.0000000
H       -0.3463177160     0.8116334850     0.0734996968  0.00    0.0000000    0.0000000    0.0000000
C        2.3187014374     0.2944597069    -0.2816099623  0.00    0.0000000    0.0000000    0.0000000
C        2.1629288258     0.4701737450     1.1659845078  0.00    0.0000000    0.0000000    0.0000000
H        2.0359796453     1.4614592103     1.5803747063  0.00    0.0000000    0.0000000    0.0000000
H        2.5470920152    -0.2891101690     1.8347961733  0.00    0.0000000    0.0000000    0.0000000
H        2.2926109041     1.1914834320    -0.8904055344  0.00    0.0000000    0.0000000    0.0000000
C        2.9831298323    -0.9053060029    -0.8810503368  0.00    0.0000000    0.0000000    0.0000000
H        3.0160756903    -1.7207306328    -0.1599983049  0.00    0.0000000    0.0000000    0.0000000
H        2.4243348246    -1.2377641459    -1.7561612604  0.00    0.0000000    0.0000000    0.0000000
H        3.9974843999    -0.6632616967    -1.1939007648  0.00    0.0000000    0.0000000    0.0000000
18
E =    95.000000000000
C       -2.0290420334    -0.0461601422    -0.0722098240  0.00    0.0000000    0.0000000    0.0000000
O       -1.2897274210     1.0619545608    -0.1012907762  0.00    0.0000000    0.0000000    0.0000000
O       -1.5685772374    -1.1418885920     0.1396993205  0.00    0.0000000    0.0000000    0.0000000
C       -3.4811813880     0.2115094879    -0.3285084342  0.00    0.0000000    0.0000000    0.0000000
H       -3.8671538152     0.9011576228     0.4201881850  0.00    0.0000000    0.0000000    0.0000000
H       -3.6024563910     0.6751413837    -1.3060404280  0.00    0.0000000    0.0000000    0.0000000
H       -4.0177888461    -0.7297342437    -0.2877206198  0.00    0.0000000    0.0000000    0.0000000
O        1.0834598096     0.0309822766     0.3670211161  0.00    0.0000000    0.0000000    0.0000000
H       -0.3508385768     0.8003451535     0.0757749710  0.00    0.0000000    0.0000000    0.0000000
C        2.3269946247     0.2964813210    -0.2819707994  0.00    0.0000000    0.0000000    0.0000000
C        2.1772963394     0.4740293721     1.1658237035  0.00    0.0000000    0.0000000    0.0000000
H        2.0561056192     1.4662555971     1.5796837217  0.00    0.0000000    0.0000000    0.0000000
H        2.5632424279    -0.2854627982     1.8334573796  0.00    0.0000000    0.0000000    0.0000000
H        2.3012334819     1.1930857633    -0.8913816045  0.00    0.0000000    0.0000000    0.0000000
C        2.9892926182    -0.9043498300    -0.8815982419  0.00    0.0000000    0.0000000    0.0000000
H        3.0188576133    -1.7206775423    -0.1613922404  0.00    0.0000000    0.0000000    0.0000000
H        2.4325183317    -1.2344938234    -1.7588000072  0.00    0.0000000    0.0000000    0.0000000
H        4.0051503160    -0.6640663882    -1.1911759464  0.00    0.0000000    0.0000000    0.0000000
18
E =    96.000000000000
C       -2.0391972216    -0.0502027784    -0.0731503497  0.00    0.0000000    0.0000000    0.0000000
O       -1.2924958391     1.0529265615    -0.1006244147  0.00    0.0000000    0.0000000    0.0000000
O       -1.5857741621    -1.1489288868     0.1386858396  0.00    0.0000000    0.0000000    0.0000000
C       -3.4892486724     0.2195612519    -0.3310090663  0.00    0.0000000    0.0000000    0.0000000
H       -3.8697810219     0.9119273430     0.4180523342  0.00    0.0000000    0.0000000    0.0000000
H       -3.6051649615     0.6862306692    -1.3077907838  0.00    0.0000000    0.0000000    0.0000000
H       -4.0357165679    -0.7161235728    -0.2925445749  0.00    0.0000000    0.0000000    0.0000000
O        1.0932607908     0.0363008589     0.3715930533  0.00    0.0000000    0.0000000    0.0000000
H       -0.3551376882     0.7885134906     0.0782732737  0.00    0.0000000    0.0000000    0.0000000
C        2.3351795043     0.2985616166    -0.2824150839  0.00    0.0000000    0.0000000    0.0000000
C        2.1915406207     0.4780342397     1.1655444219  0.00    0.0000000    0.0000000    0.0000000
H        2.0756430374     1.4711735987     1.5786970878  0.00    0.0000000    0.0000000    0.0000000
H        2.5795678742    -0.2814181426     1.8320797790  0.00    0.0000000    0.0000000    0.0000000
H        2.3093768763     1.1946686000    -0.8925545230  0.00    0.0000000    0.0000000    0.0000000
C        2.9956314923    -0.9032474756    -0.8821413836  0.00    0.0000000    0.0000000    0.0000000
H        3.0216605189    -1.7204530471    -0.1628044407  0.00    0.0000000    0.0000000    0.0000000
H        2.4410657155    -1.2310749747    -1.7615485428  0.00    0.0000000    0.0000000    0.0000000
H        4.0130371723    -0.6646793279    -1.1882289422  0.00    0.0000000    0.0000000    0.0000000
18
E =    97.000000000000
C       -2.0493880919    -0.0541514001    -0.0740306133  0.00    0.0000000    0.0000000    0.0000000
O       -1.2950340277     1.0437309895    -0.0997152756  0.00    0.0000000    0.0000000    0.0000000
O       -1.6036093499    -1.1560310926     0.1376643180  0.00    0.0000000    0.0000000    0.0000000
C       -3.4971185328     0.2276937531    -0.3336220886  0.00    0.0000000    0.0000000    0.0000000
H       -3.8725203093     0.9225923348     0.4157305722  0.00    0.0000000    0.0000000    0.0000000
H       -3.6076440833     0.6971354954    -1.3097334897  0.00    0.0000000    0.0000000    0.0000000
H       -4.0529555064    -0.7025462204    -0.2974723585  0.00    0.0000000    0.0000000    0.0000000
O        1.1032886155     0.0413786634     0.3761629626  0.00    0.0000000    0.0000000    0.0000000
H       -0.3593320851     0.7762900429     0.0809498423  0.00    0.0000000    0.0000000    0.0000000
C        2.3433439046     0.3007168424    -0.2829593862  0.00    0.0000000    0.0000000    0.0000000
C        2.2057079563     0.4822852010     1.1651414051  0.00    0.0000000    0.0000000    0.0000000
H        2.0945060131     1.4763164297     1.5773970044  0.00    0.0000000    0.0000000    0.0000000
H        2.5959637253    -0.2769144353     1.8307376775  0.00    0.0000000    0.0000000    0.0000000
H        2.3170590433     1.1961698011    -0.8940133493  0.00    0.0000000    0.0000000    0.0000000
C        3.0021195964    -0.9020305714    -0.8826641103  0.00    0.0000000    0.0000000    0.0000000
H        3.0245011981    -1.7200783053    -0.1641583485  0.00    0.0000000    0.0000000    0.0000000
H        2.4498977990    -1.2276195304    -1.7643018902  0.00    0.0000000    0.0000000    0.0000000
H        4.0210874086    -0.6651751222    -1.1851174544  0.00    0.0000000    0.0000000    0.0000000
18
E =    98.000000000000
C       -2.0595969584    -0.0579808145    -0.0748605388  0.00    0.0000000    0.0000000    0.0000000
O       -1.2974395923     1.0345029430    -0.0985814145  0.00    0.0000000    0.0000000    0.0000000
O       -1.6215109676    -1.1629932276     0.1367411723  0.00    0.0000000    0.0000000    0.0000000
C       -3.5049384164     0.2358961926    -0.3363901142  0.00    0.0000000    0.0000000    0.0000000
H       -3.8754207121     0.9332822649     0.4131791955  0.00    0.0000000    0.0000000    0.0000000
H       -3.6099651906     0.7080026899    -1.3118875809  0.00    0.0000000    0.0000000    0.0000000
H       -4.0699077172    -0.6889943140    -0.3025843033  0.00    0.0000000    0.0000000    0.0000000
O        1.1133155724     0.0458679472     0.3807126871  0.00    0.0000000    0.0000000    0.0000000
H       -0.3634802110     0.7636116225     0.0838406012  0.00    0.0000000    0.0000000    0.0000000
C        2.3513404032     0.3028772541    -0.2836109390  0.00    0.0000000    0.0000000    0.0000000
C        2.2196992526     0.4867420680     1.1645769666  0.00    0.0000000    0.0000000    0.0000000
H        2.1126567903     1.4817132925     1.5757137608  0.00    0.0000000    0.0000000    0.0000000
H        2.6126010759    -0.2718262002     1.8294138060  0.00    0.0000000    0.0000000    0.0000000
H        2.3241567138     1.1975899379    -0.8957391062  0.00    0.0000000    0.0000000    0.0000000
C        3.0088315122    -0.9006385123    -0.8831484027  0.00    0.0000000    0.0000000    0.0000000
H        3.0274648692    -1.7195079551    -0.1654419072  0.00    0.0000000    0.0000000    0.0000000
H        2.4591034117    -1.2240769394    -1.7671002563  0.00    0.0000000    0.0000000    0.0000000
H        4.0293798611    -0.6654405885    -1.1818059857  0.00    0.0000000    0.0000000    0.0000000
18
E =    99.000000000000
C       -2.0698603555    -0.0616531579    -0.0756297093  0.00    0.0000000    0.0000000    0.0000000
O       -1.2998168596     1.0252982975    -0.0972169631  0.00    0.0000000    0.0000000    0.0000000
O       -1.6395193958    -1.1697382972     0.1357488293  0.00    0.0000000    0.0000000    0.0000000
C       -3.5126341157     0.2441068203    -0.3392519465  0.00    0.0000000    0.0000000    0.0000000
H       -3.8783931566     0.9439293057     0.4104254210  0.00    0.0000000    0.0000000    0.0000000
H       -3.6120873512     0.7186175020    -1.3141996732  0.00    0.0000000    0.0000000    0.0000000
H       -4.0864361162    -0.6754398163    -0.3077283220  0.00    0.0000000    0.0000000    0.0000000
O        1.1234292416     0.0496439238     0.3854162699  0.00    0.0000000    0.0000000    0.0000000
H       -0.3677752467     0.7505781041     0.0868899401  0.00    0.0000000    0.0000000    0.0000000
C        2.3591184604     0.3050000272    -0.2844010262  0.00    0.0000000    0.0000000    0.0000000
C        2.2335474873     0.4915014175     1.1638123265  0.00    0.0000000    0.0000000    0.0000000
H        2.1299617134     1.4874635316     1.5734475819  0.00    0.0000000    0.0000000    0.0000000
H        2.6296562384    -0.2659215322     1.8280968198  0.00    0.0000000    0.0000000    0.0000000
H        2.3303552363     1.1987687670    -0.8978594370  0.00    0.0000000    0.0000000    0.0000000
C        3.0158161992    -0.8991122108    -0.8836021441  0.00    0.0000000    0.0000000    0.0000000
H        3.0307504815    -1.7187067649    -0.1666294733  0.00    0.0000000    0.0000000    0.0000000
H        2.4687851304    -1.2205955504    -1.7698716359  0.00    0.0000000    0.0000000    0.0000000
H        4.0378948385    -0.6653756281    -1.1783508673  0.00    0.0000000    0.0000000    0.0000000
18
E =   100.000000000000
C       -2.0800930181    -0.0651719528    -0.0763745961  0.00    0.0000000    0.0000000    0.0000000
O       -1.3021514550     1.0161829712    -0.0955664144  0.00    0.0000000    0.0000000    0.0000000
O       -1.6574808456    -1.1762655431     0.1346323938  0.00    0.0000000    0.0000000    0.0000000
C       -3.5201945112     0.2523540265    -0.3421703776  0.00    0.0000000    0.0000000    0.0000000
H       -3.8813952745     0.9546249963     0.4074577859  0.00    0.0000000    0.0000000    0.0000000
H       -3.6140244648     0.7289874405    -1.3166867687  0.00    0.0000000    0.0000000    0.0000000
H       -4.1026272908    -0.6618603437    -0.3128445933  0.00    0.0000000    0.0000000    0.0000000
O        1.1335256223     0.0526163752     0.3903083098  0.00    0.0000000    0.0000000    0.0000000
H       -0.3721429513     0.7373138737     0.0901474504  0.00    0.0000000    0.0000000    0.0000000
C        2.3665180210     0.3070052312    -0.2853656837  0.00    0.0000000    0.0000000    0.0000000
C        2.2471923081     0.4966109236     1.1627925686  0.00    0.0000000    0.0000000    0.0000000
H        2.1463242462     1.4936696143     1.5704989920  0.00    0.0000000    0.0000000    0.0000000
H        2.6472643301    -0.2590561858     1.8267753059  0.00    0.0000000    0.0000000    0.0000000
H        2.3353532198     1.1995813929    -0.9004712633  0.00    0.0000000    0.0000000    0.0000000
C        3.0231059178    -0.8974477074    -0.8839817513  0.00    0.0000000    0.0000000    0.0000000
H        3.0345580802    -1.7176631972    -0.1676522421  0.00    0.0000000    0.0000000    0.0000000
H        2.4790415736    -1.2173105938    -1.7726157833  0.00    0.0000000    0.0000000    0.0000000
H        4.0466553382    -0.6648096426    -1.1746975326  0.00    0.0000000    0.0000000    0.0000000
18
E =   101.000000000000
C       -2.0902057803    -0.0685584538    -0.0770660287  0.00    0.0000000    0.0000000    0.0000000
O       -1.3043591806     1.0071416837    -0.0935506947  0.00    0.0000000    0.0000000    0.0000000
O       -1.6754685748    -1.1826893316     0.1333322564  0.00    0.0000000    0.0000000    0.0000000
C       -3.5275145746     0.2607132722    -0.3451499885  0.00    0.0000000    0.0000000    0.0000000
H       -3.8842553654     0.9655146157     0.4042892368  0.00    0.0000000    0.0000000    0.0000000
H       -3.6156617869     0.7391632233    -1.3193294647  0.00    0.0000000    0.0000000    0.0000000
H       -4.1183905750    -0.6481570070    -0.3178794357  0.00    0.0000000    0.0000000    0.0000000
O        1.1435533078     0.0548083596     0.3953818307  0.00    0.0000000    0.0000000    0.0000000
H       -0.3764549977     0.7239168786     0.0936768376  0.00    0.0000000    0.0000000    0.0000000
C        2.3734395770     0.3088692773    -0.2865360481  0.00    0.0000000    0.0000000    0.0000000
C        2.2605601396     0.5021476411     1.1614742519  0.00    0.0000000    0.0000000    0.0000000
H        2.1615734277     1.5003728071     1.5668116608  0.00    0.0000000    0.0000000    0.0000000
H        2.6653523992    -0.2511188549     1.8253900916  0.00    0.0000000    0.0000000    0.0000000
H        2.3389390865     1.1999526085    -0.9036879054  0.00    0.0000000    0.0000000    0.0000000
C        3.0307164151    -0.8956517728    -0.8842618979  0.00    0.0000000    0.0000000    0.0000000
H        3.0390457768    -1.7163366566    -0.1684177799  0.00    0.0000000    0.0000000    0.0000000
H        2.4899072471    -1.2143992018    -1.7752309856  0.00    0.0000000    0.0000000    0.0000000
H        4.0556219324    -0.6635867279    -1.1708653936  0.00    0.0000000    0.0000000    0.0000000
18
E =   102.000000000000
C       -2.1001833103    -0.0717779060    -0.0776958903  0.00    0.0000000    0.0000000    0.0000000
O       -1.3063266418     0.9980972063    -0.0911372353  0.00    0.0000000    0.0000000    0.0000000
O       -1.6938173610    -1.1890573801     0.1318469475  0.00    0.0000000    0.0000000    0.0000000
C       -3.5344577572     0.2692094724    -0.3481643050  0.00    0.0000000    0.0000000    0.0000000
H       -3.8868400938     0.9765738941     0.4009342798  0.00    0.0000000    0.0000000    0.0000000
H       -3.6169156766     0.7490885649    -1.3221471435  0.00    0.0000000    0.0000000    0.0000000
H       -4.1334510965    -0.6343730744    -0.3227509277  0.00    0.0000000    0.0000000    0.0000000
O        1.1536315457     0.0561466025     0.4005665104  0.00    0.0000000    0.0000000    0.0000000
H       -0.3805959762     0.7103655438     0.0974975107  0.00    0.0000000    0.0000000    0.0000000
C        2.3799057537     0.3106575256    -0.2879300245  0.00    0.0000000    0.0000000    0.0000000
C        2.2735582607     0.5081705091     1.1598399975  0.00    0.0000000    0.0000000    0.0000000
H        2.1753881960     1.5076303243     1.5623720917  0.00    0.0000000    0.0000000    0.0000000
H        2.6837704614    -0.2420222400     1.8239243243  0.00    0.0000000    0.0000000    0.0000000
H        2.3410021353     1.1998724668    -0.9075225476  0.00    0.0000000    0.0000000    0.0000000
C        3.0386903684    -0.8936606345    -0.8844029154  0.00    0.0000000    0.0000000    0.0000000
H        3.0444684322    -1.7145822016    -0.1688137336  0.00    0.0000000    0.0000000    0.0000000
H        2.5012966100    -1.2119364833    -1.7775551081  0.00    0.0000000    0.0000000    0.0000000
H        4.0647379220    -0.6615715719    -1.1670236978  0.00    0.0000000    0.0000000    0.0000000
18
E =   103.000000000000
C       -2.1098666880    -0.0748594903    -0.0782411350  0.00    0.0000000    0.0000000    0.0000000
O       -1.3079326900     0.9891104106    -0.0882684676  0.00    0.0000000    0.0000000    0.0000000
O       -1.7119655725    -1.1953843068     0.1301816488  0.00    0.0000000    0.0000000    0.0000000
C       -3.5410443609     0.2779522008    -0.3511990059  0.00    0.0000000    0.0000000    0.0000000
H       -3.8890824416     0.9880789029     0.3973505846  0.00    0.0000000    0.0000000    0.0000000
H       -3.6177112221     0.7589932067    -1.3251438275  0.00    0.0000000    0.0000000    0.0000000
H       -4.1481364771    -0.6203299500    -0.3274810383  0.00    0.0000000    0.0000000    0.0000000
O        1.1633674745     0.0565475739     0.4057986367  0.00    0.0000000    0.0000000    0.0000000
H       -0.3843969415     0.6965999602     0.1016949270  0.00    0.0000000    0.0000000    0.0000000
C        2.3857101813     0.3123114626    -0.2895905113  0.00    0.0000000    0.0000000    0.0000000
C        2.2859317890     0.5146732038     1.1578464195  0.00    0.0000000    0.0000000    0.0000000
H        2.1876376133     1.5154573665     1.5571036947  0.00    0.0000000    0.0000000    0.0000000
H        2.7024171577    -0.2317077140     1.8224157691  0.00    0.0000000    0.0000000    0.0000000
H        2.3414220704     1.1992986035    -0.9120692611  0.00    0.0000000    0.0000000    0.0000000
C        3.0469847583    -0.8914932532    -0.8843610785  0.00    0.0000000    0.0000000    0.0000000
H        3.0510171064    -1.7123540052    -0.1686789402  0.00    0.0000000    0.0000000    0.0000000
H        2.5131860624    -1.2101364898    -1.7794990127  0.00    0.0000000    0.0000000    0.0000000
H        4.0739603575    -0.6586196185    -1.1632298405  0.00    0.0000000    0.0000000    0.0000000
18
E =   104.000000000000
C       -2.1191338570    -0.0778918507    -0.0786721714  0.00    0.0000000    0.0000000    0.0000000
O       -1.3091673436     0.9800686159    -0.0847842780  0.00    0.0000000    0.0000000    0.0000000
O       -1.7298228560    -1.2016912209     0.1282922755  0.00    0.0000000    0.0000000    0.0000000
C       -3.5469863621     0.2870276223    -0.3542496016  0.00    0.0000000    0.0000000    0.0000000
H       -3.8905268626     1.0001182959     0.3935684202  0.00    0.0000000    0.0000000    0.0000000
H       -3.6176423200     0.7689941182    -1.3282278756  0.00    0.0000000    0.0000000    0.0000000
H       -4.1623097216    -0.6057054495    -0.3321616969  0.00    0.0000000    0.0000000    0.0000000
O        1.1725990503     0.0562608878     0.4109418317  0.00    0.0000000    0.0000000    0.0000000
H       -0.3878835616     0.6825197431     0.1063630730  0.00    0.0000000    0.0000000    0.0000000
C        2.3907381810     0.3137718631    -0.2915334821  0.00    0.0000000    0.0000000    0.0000000
C        2.2974718978     0.5216254466     1.1554137443  0.00    0.0000000    0.0000000    0.0000000
H        2.1982015616     1.5237967333     1.5509867310  0.00    0.0000000    0.0000000    0.0000000
H        2.7208729262    -0.2202889504     1.8206854292  0.00    0.0000000    0.0000000    0.0000000
H        2.3402174569     1.1981210442    -0.9173251667  0.00    0.0000000    0.0000000    0.0000000
C        3.0555590007    -0.8892080890    -0.8840649644  0.00    0.0000000    0.0000000    0.0000000
H        3.0588206312    -1.7096654912    -0.1679042899  0.00    0.0000000    0.0000000    0.0000000
H        2.5255592601    -1.2092394065    -1.7809228879  0.00    0.0000000    0.0000000    0.0000000
H        4.0831563963    -0.6546696725    -1.1594541159  0.00    0.0000000    0.0000000    0.0000000
18
E =   105.000000000000
C       -2.1278953864    -0.0808735444    -0.0789207352  0.00    0.0000000    0.0000000    0.0000000
O       -1.3098296136     0.9709011521    -0.0806440221  0.00    0.0000000    0.0000000    0.0000000
O       -1.7475315130    -1.2080505434     0.1264067822  0.00    0.0000000    0.0000000    0.0000000
C       -3.5521550892     0.2964984130    -0.3574026711  0.00    0.0000000    0.0000000    0.0000000
H       -3.8910769659     1.0127057060     0.3895593688  0.00    0.0000000    0.0000000    0.0000000
H       -3.6164368933     0.7792836285    -1.3314634381  0.00    0.0000000    0.0000000    0.0000000
H       -4.1758853658    -0.5904386038    -0.3370022928  0.00    0.0000000    0.0000000    0.0000000
O        1.1812820846     0.0552517306     0.4156980204  0.00    0.0000000    0.0000000    0.0000000
H       -0.3908304677     0.6680857919     0.1115297076  0.00    0.0000000    0.0000000    0.0000000
C        2.3950386193     0.3151524647    -0.2937495616  0.00    0.0000000    0.0000000    0.0000000
C        2.3078980686     0.5289600390     1.1525757750  0.00    0.0000000    0.0000000    0.0000000
H        2.2066734686     1.5325203347     1.5441453121  0.00    0.0000000    0.0000000    0.0000000
H        2.7386275009    -0.2079439442     1.8187911818  0.00    0.0000000    0.0000000    0.0000000
H        2.3375508397     1.1964955707    -0.9231819160  0.00    0.0000000    0.0000000    0.0000000
C        3.0644193703    -0.8867162635    -0.8835062732  0.00    0.0000000    0.0000000    0.0000000
H        3.0679630105    -1.7063453874    -0.1663964785  0.00    0.0000000    0.0000000    0.0000000
H        2.5383043885    -1.2091845184    -1.7817299928  0.00    0.0000000    0.0000000    0.0000000
H        4.0922853801    -0.6495849892    -1.1558299983  0.00    0.0000000    0.0000000    0.0000000
18
E =   106.000000000000
C       -2.1361873568    -0.0837556262    -0.0789059637  0.00    0.0000000    0.0000000    0.0000000
O       -1.3098576987     0.9615599255    -0.0760827935  0.00    0.0000000    0.0000000    0.0000000
O       -1.7653410573    -1.2143604379     0.1251471626  0.00    0.0000000    0.0000000    0.0000000
C       -3.5564989097     0.3063451776    -0.3608517158  0.00    0.0000000    0.0000000    0.0000000
H       -3.8908724074     1.0255630189     0.3852942651  0.00    0.0000000    0.0000000    0.0000000
H       -3.6138978245     0.7900575209    -1.3349267341  0.00    0.0000000    0.0000000    0.0000000
H       -4.1886416444    -0.5746493338    -0.3425172804  0.00    0.0000000    0.0000000    0.0000000
O        1.1894746313     0.0533613310     0.4197216304  0.00    0.0000000    0.0000000    0.0000000
H       -0.3931520160     0.6532746677     0.1170392751  0.00    0.0000000    0.0000000    0.0000000
C        2.3988191380     0.3165840118    -0.2961415273  0.00    0.0000000    0.0000000    0.0000000
C        2.3169646307     0.5363596896     1.1494844928  0.00    0.0000000    0.0000000    0.0000000
H        2.2125751690     1.5411770282     1.5370118265  0.00    0.0000000    0.0000000    0.0000000
H        2.7552173870    -0.1951412669     1.8168149219  0.00    0.0000000    0.0000000    0.0000000
H        2.3338211007     1.1947677314    -0.9292699276  0.00    0.0000000    0.0000000    0.0000000
C        3.0737454283    -0.8837250757    -0.8828315202  0.00    0.0000000    0.0000000    0.0000000
H        3.0786801881    -1.7022099054    -0.1644064662  0.00    0.0000000    0.0000000    0.0000000
H        2.5513974265    -1.2095751203    -1.7819919962  0.00    0.0000000    0.0000000    0.0000000
H        4.1014995775    -0.6430961112    -1.1526807725  0.00    0.0000000    0.0000000    0.0000000
18
E =   107.000000000000
C       -2.1440257137    -0.0865050227    -0.0785985250  0.00    0.0000000    0.0000000    0.0000000
O       -1.3092473630     0.9519892428    -0.0714945894  0.00    0.0000000    0.0000000    0.0000000
O       -1.7833225409    -1.2204656228     0.1247861329  0.00    0.0000000    0.0000000    0.0000000
C       -3.5599627933     0.3164968627    -0.3645606123  0.00    0.0000000    0.0000000    0.0000000
H       -3.8900577404     1.0383679880     0.3809075509  0.00    0.0000000    0.0000000    0.0000000
H       -3.6099460386     0.8013354104    -1.3384719474  0.00    0.0000000    0.0000000    0.0000000
H       -4.2004013064    -0.5584786908    -0.3488771108  0.00    0.0000000    0.0000000    0.0000000
O        1.1972129020     0.0505546522     0.4230421881  0.00    0.0000000    0.0000000    0.0000000
H       -0.3949260648     0.6381343117     0.1226123416  0.00    0.0000000    0.0000000    0.0000000
C        2.4021685306     0.3180992107    -0.2986166456  0.00    0.0000000    0.0000000    0.0000000
C        2.3245966823     0.5436082763     1.1462863100  0.00    0.0000000    0.0000000    0.0000000
H        2.2158213199     1.5494444345     1.5299189235  0.00    0.0000000    0.0000000    0.0000000
H        2.7704454512    -0.1821559665     1.8148080130  0.00    0.0000000    0.0000000    0.0000000
H        2.3292418054     1.1930600956    -0.9352658184  0.00    0.0000000    0.0000000    0.0000000
C        3.0835389208    -0.8800768403    -0.8822078884  0.00    0.0000000    0.0000000    0.0000000
H        3.0910717629    -1.6971671849    -0.1621862248  0.00    0.0000000    0.0000000    0.0000000
H        2.5646804480    -1.2100683206    -1.7818356233  0.00    0.0000000    0.0000000    0.0000000
H        4.1107260349    -0.6350326575    -1.1503465443  0.00    0.0000000    0.0000000    0.0000000
18
E =   108.000000000000
C       -2.1512395981    -0.0889691223    -0.0780040691  0.00    0.0000000    0.0000000    0.0000000
O       -1.3080170863     0.9426860768    -0.0671884017  0.00    0.0000000    0.0000000    0.0000000
O       -1.8006277200    -1.2261317028     0.1255635573  0.00    0.0000000    0.0000000    0.0000000
C       -3.5627408709     0.3267474706    -0.3684819483  0.00    0.0000000    0.0000000    0.0000000
H       -3.8889224872     1.0509826291     0.3764539898  0.00    0.0000000    0.0000000    0.0000000
H       -3.6049318691     0.8131279558    -1.3420488400  0.00    0.0000000    0.0000000    0.0000000
H       -4.2113869229    -0.5422664135    -0.3560221397  0.00    0.0000000    0.0000000    0.0000000
O        1.2041015029     0.0462807319     0.4257089520  0.00    0.0000000    0.0000000    0.0000000
H       -0.3960993348     0.6230522884     0.1280323720  0.00    0.0000000    0.0000000    0.0000000
C        2.4047555770     0.3196135548    -0.3011457119  0.00    0.0000000    0.0000000    0.0000000
C        2.3305543827     0.5504834565     1.1430119341  0.00    0.0000000    0.0000000    0.0000000
H        2.2161242865     1.5571706136     1.5228439030  0.00    0.0000000    0.0000000    0.0000000
H        2.7843941550    -0.1691997012     1.8128339599  0.00    0.0000000    0.0000000    0.0000000
H        2.3233110970     1.1914076983    -0.9411784030  0.00    0.0000000    0.0000000    0.0000000
C        3.0938902497    -0.8756596617    -0.8816831430  0.00    0.0000000    0.0000000    0.0000000
H        3.1055164673    -1.6911756847    -0.1599103549  0.00    0.0000000    0.0000000    0.0000000
H        2.5783680864    -1.2106840781    -1.7813730442  0.00    0.0000000    0.0000000    0.0000000
H        4.1199975286    -0.6249125551    -1.1488476358  0.00    0.0000000    0.0000000    0.0000000
18
E =   109.000000000000
C       -2.1577402904    -0.0909851829    -0.0772130762  0.00    0.0000000    0.0000000    0.0000000
O       -1.3063244491     0.9338576599    -0.0634524747  0.00    0.0000000    0.0000000    0.0000000
O       -1.8170335136    -1.2309917360     0.1272450092  0.00    0.0000000    0.0000000    0.0000000
C       -3.5647570525     0.3367858076    -0.3723127534  0.00    0.0000000    0.0000000    0.0000000
H       -3.8874770080     1.0629519837     0.3722606540  0.00    0.0000000    0.0000000    0.0000000
H       -3.5991937472     0.8247784450    -1.3453848170  0.00    0.0000000    0.0000000    0.0000000
H       -4.2210006631    -0.5265274914    -0.3633634573  0.00    0.0000000    0.0000000    0.0000000
O        1.2102397918     0.0402723063     0.4280211243  0.00    0.0000000    0.0000000    0.0000000
H       -0.3968693326     0.6084204889     0.1330129356  0.00    0.0000000    0.0000000    0.0000000
C        2.4063685021     0.3209478818    -0.3037028764  0.00    0.0000000    0.0000000    0.0000000
C        2.3347988639     0.5569850493     1.1396635112  0.00    0.0000000    0.0000000    0.0000000
H        2.2132243952     1.5642683523     1.5157617234  0.00    0.0000000    0.0000000    0.0000000
H        2.7971973869    -0.1559998190     1.8108218320  0.00    0.0000000    0.0000000    0.0000000
H        2.3155142159     1.1894524723    -0.9469777507  0.00    0.0000000    0.0000000    0.0000000
C        3.1047192037    -0.8704513577    -0.8812700820  0.00    0.0000000    0.0000000    0.0000000
H        3.1221645115    -1.6841510640    -0.1575335053  0.00    0.0000000    0.0000000    0.0000000
H        2.5924441923    -1.2115236489    -1.7805383754  0.00    0.0000000    0.0000000    0.0000000
H        4.1291307578    -0.6125414940    -1.1482973415  0.00    0.0000000    0.0000000    0.0000000
18
E =   110.000000000000
C       -2.1631552549    -0.0924141842    -0.0763001463  0.00    0.0000000    0.0000000    0.0000000
O       -1.3040338988     0.9259298769    -0.0603498384  0.00    0.0000000    0.0000000    0.0000000
O       -1.8316798620    -1.2348920948     0.1294402632  0.00    0.0000000    0.0000000    0.0000000
C       -3.5659056967     0.3463715734    -0.3757521417  0.00    0.0000000    0.0000000    0.0000000
H       -3.8855787131     1.0742142060     0.3685204655  0.00    0.0000000    0.0000000    0.0000000
H       -3.5931511703     0.8358316496    -1.3483025413  0.00    0.0000000    0.0000000    0.0000000
H       -4.2290708302    -0.5116752375    -0.3701265186  0.00    0.0000000    0.0000000    0.0000000
O        1.2152791471     0.0322226016     0.4302421558  0.00    0.0000000    0.0000000    0.0000000
H       -0.3970306263     0.5947315029     0.1374182902  0.00    0.0000000    0.0000000    0.0000000
C        2.4064751784     0.3219041956    -0.3063488394  0.00    0.0000000    0.0000000    0.0000000
C        2.3370128126     0.5632251901     1.1361631240  0.00    0.0000000    0.0000000    0.0000000
H        2.2067291584     1.5709069527     1.5083657044  0.00    0.0000000    0.0000000    0.0000000
H        2.8088730655    -0.1422032836     1.8087720398  0.00    0.0000000    0.0000000    0.0000000
H        2.3050038411     1.1868221210    -0.9529273489  0.00    0.0000000    0.0000000    0.0000000
C        3.1156965458    -0.8645831546    -0.8808759327  0.00    0.0000000    0.0000000    0.0000000
H        3.1408722260    -1.6760735223    -0.1548422398  0.00    0.0000000    0.0000000    0.0000000
H        2.6066523727    -1.2129190087    -1.7791863628  0.00    0.0000000    0.0000000    0.0000000
H        4.1377247590    -0.5978551296    -1.1486309668  0.00    0.0000000    0.0000000    0.0000000
18
E =   111.000000000000
C       -2.1671581338    -0.0932831409    -0.0753281442  0.00    0.0000000    0.0000000    0.0000000
O       -1.3010374295     0.9190351607    -0.0577724893  0.00    0.0000000    0.0000000    0.0000000
O       -1.8440270187    -1.2379063791     0.1317340777  0.00    0.0000000    0.0000000    0.0000000
C       -3.5660264903     0.3554205532    -0.3785364293  0.00    0.0000000    0.0000000    0.0000000
H       -3.8828329130     1.0848538375     0.3654157477  0.00    0.0000000    0.0000000    0.0000000
H       -3.5868763938     0.8460345156    -1.3506612942  0.00    0.0000000    0.0000000    0.0000000
H       -4.2354027849    -0.4977969046    -0.3757405582  0.00    0.0000000    0.0000000    0.0000000
O        1.2189439389     0.0224649736     0.4323716878  0.00    0.0000000    0.0000000    0.0000000
H       -0.3963455787     0.5822706722     0.1412222376  0.00    0.0000000    0.0000000    0.0000000
C        2.4048276174     0.3223623211    -0.3090823083  0.00    0.0000000    0.0000000    0.0000000
C        2.3370063083     0.5692521917     1.1324624332  0.00    0.0000000    0.0000000    0.0000000
H        2.1966945418     1.5771363801     1.5005563266  0.00    0.0000000    0.0000000    0.0000000
H        2.8190128805    -0.1277780209     1.8066777748  0.00    0.0000000    0.0000000    0.0000000
H        2.2917299570     1.1832588504    -0.9591394954  0.00    0.0000000    0.0000000    0.0000000
C        3.1263704796    -0.8583057001    -0.8803446603  0.00    0.0000000    0.0000000    0.0000000
H        3.1610119072    -1.6670844574    -0.1516179525  0.00    0.0000000    0.0000000    0.0000000
H        2.6206279106    -1.2151852257    -1.7771765401  0.00    0.0000000    0.0000000    0.0000000
H        4.1453153597    -0.5813076984    -1.1496656592  0.00    0.0000000    0.0000000    0.0000000
18
E =   112.000000000000
C       -2.1696547327    -0.0936213738    -0.0743920292  0.00    0.0000000    0.0000000    0.0000000
O       -1.2972601956     0.9131844431    -0.0557179053  0.00    0.0000000    0.0000000    0.0000000
O       -1.8539785561    -1.2400716726     0.1339165561  0.00    0.0000000    0.0000000    0.0000000
C       -3.5650465242     0.3637986365    -0.3806125131  0.00    0.0000000    0.0000000    0.0000000
H       -3.8791332622     1.0947584137     0.3630238298  0.00    0.0000000    0.0000000    0.0000000
H       -3.5805292839     0.8551589890    -1.3524379093  0.00    0.0000000    0.0000000    0.0000000
H       -4.2398387182    -0.4850997704    -0.3799323906  0.00    0.0000000    0.0000000    0.0000000
O        1.2214048003     0.0112895143     0.4345797168  0.00    0.0000000    0.0000000    0.0000000
H       -0.3947343139     0.5711376644     0.1443356709  0.00    0.0000000    0.0000000    0.0000000
C        2.4014038997     0.3223072025    -0.3118845077  0.00    0.0000000    0.0000000    0.0000000
C        2.3348563974     0.5750990810     1.1286112057  0.00    0.0000000    0.0000000    0.0000000
H        2.1833716817     1.5828752704     1.4924068114  0.00    0.0000000    0.0000000    0.0000000
H        2.8275501468    -0.1125951914     1.8045342039  0.00    0.0000000    0.0000000    0.0000000
H        2.2758018479     1.1786118438    -0.9655713177  0.00    0.0000000    0.0000000    0.0000000
C        3.1361983995    -0.8517473250    -0.8796867375  0.00    0.0000000    0.0000000    0.0000000
H        3.1815424081    -1.6571640103    -0.1479200977  0.00    0.0000000    0.0000000    0.0000000
H        2.6338668535    -1.2181035318    -1.7745556400  0.00    0.0000000    0.0000000    0.0000000
H        4.1513601772    -0.5635134612    -1.1512909541  0.00    0.0000000    0.0000000    0.0000000
18
E =   113.000000000000
C       -2.1710242926    -0.0936395396    -0.0734672894  0.00    0.0000000    0.0000000    0.0000000
O       -1.2928692802     0.9081037369    -0.0540202312  0.00    0.0000000    0.0000000    0.0000000
O       -1.8621222899    -1.2417768862     0.1359239652  0.00    0.0000000    0.0000000    0.0000000
C       -3.5633395920     0.3717190353    -0.3820950882  0.00    0.0000000    0.0000000    0.0000000
H       -3.8746438041     1.1042465190     0.3611847042  0.00    0.0000000    0.0000000    0.0000000
H       -3.5742001353     0.8635450979    -1.3537567698  0.00    0.0000000    0.0000000    0.0000000
H       -4.2430789403    -0.4732531471    -0.3829454566  0.00    0.0000000    0.0000000    0.0000000
O        1.2227336148    -0.0006028618     0.4367013974  0.00    0.0000000    0.0000000    0.0000000
H       -0.3923063647     0.5609944506     0.1469780785  0.00    0.0000000    0.0000000    0.0000000
C        2.3968045120     0.3219664335    -0.3146845882  0.00    0.0000000    0.0000000    0.0000000
C        2.3312442263     0.5807900940     1.1247069472  0.00    0.0000000    0.0000000    0.0000000
H        2.1679968540     1.5883814040     1.4841020564  0.00    0.0000000    0.0000000    0.0000000
H        2.8347419288    -0.0973308092     1.8024559882  0.00    0.0000000    0.0000000    0.0000000
H        2.2583127385     1.1735050305    -0.9721032537  0.00    0.0000000    0.0000000    0.0000000
C        3.1454013282    -0.8451796564    -0.8789006012  0.00    0.0000000    0.0000000    0.0000000
H        3.2023289028    -1.6469452468    -0.1438349354  0.00    0.0000000    0.0000000    0.0000000
H        2.6463226433    -1.2216759044    -1.7714119923  0.00    0.0000000    0.0000000    0.0000000
H        4.1564274057    -0.5450923271    -1.1533975354  0.00    0.0000000    0.0000000    0.0000000
18
E =   114.000000000000
C       -2.1716352826    -0.0934812027    -0.0725775734  0.00    0.0000000    0.0000000    0.0000000
O       -1.2880786289     0.9034011523    -0.0525585601  0.00    0.0000000    0.0000000    0.0000000
O       -1.8691242930    -1.2431819278     0.1377069423  0.00    0.0000000    0.0000000    0.0000000
C       -3.5610376873     0.3793382198    -0.3831004523  0.00    0.0000000    0.0000000    0.0000000
H       -3.8694580041     1.1134784749     0.3598004658  0.00    0.0000000    0.0000000    0.0000000
H       -3.5678419418     0.8713389201    -1.3547089267  0.00    0.0000000    0.0000000    0.0000000
H       -4.2454090580    -0.4618848954    -0.3850231709  0.00    0.0000000    0.0000000    0.0000000
O        1.2235326721    -0.0127071477     0.4387683270  0.00    0.0000000    0.0000000    0.0000000
H       -0.3893931818     0.5513747877     0.1492490464  0.00    0.0000000    0.0000000    0.0000000
C        2.3915019551     0.3213510027    -0.3174553903  0.00    0.0000000    0.0000000    0.0000000
C        2.3265573983     0.5863462867     1.1207498895  0.00    0.0000000    0.0000000    0.0000000
H        2.1512843013     1.5935105264     1.4756941020  0.00    0.0000000    0.0000000    0.0000000
H        2.8406565764    -0.0818547761     1.8003768378  0.00    0.0000000    0.0000000    0.0000000
H        2.2401326447     1.1677710651    -0.9786452537  0.00    0.0000000    0.0000000    0.0000000
C        3.1539461373    -0.8385896758    -0.8779909698  0.00    0.0000000    0.0000000    0.0000000
H        3.2227802794    -1.6362325082    -0.1394499176  0.00    0.0000000    0.0000000    0.0000000
H        2.6581627985    -1.2255544747    -1.7678476222  0.00    0.0000000    0.0000000    0.0000000
H        4.1604692856    -0.5265666491    -1.1557787104  0.00    0.0000000    0.0000000    0.0000000
18
E =   115.000000000000
C       -2.1717456624    -0.0932384104    -0.0717256340  0.00    0.0000000    0.0000000    0.0000000
O       -1.2829789297     0.8988920236    -0.0512674327  0.00    0.0000000    0.0000000    0.0000000
O       -1.8754298311    -1.2444459001     0.1392953332  0.00    0.0000000    0.0000000    0.0000000
C       -3.5583661300     0.3867872340    -0.3837765534  0.00    0.0000000    0.0000000    0.0000000
H       -3.8637469215     1.1225879127     0.3587568659  0.00    0.0000000    0.0000000    0.0000000
H       -3.5614983688     0.8788180254    -1.3553887795  0.00    0.0000000    0.0000000    0.0000000
H       -4.2472086367    -0.4507737180    -0.3864354933  0.00    0.0000000    0.0000000    0.0000000
O        1.2240354132    -0.0248707370     0.4408242055  0.00    0.0000000    0.0000000    0.0000000
H       -0.3861172795     0.5420378062     0.1512469229  0.00    0.0000000    0.0000000    0.0000000
C        2.3857711084     0.3205920266    -0.3202004665  0.00    0.0000000    0.0000000    0.0000000
C        2.3212173169     0.5918534965     1.1167850705  0.00    0.0000000    0.0000000    0.0000000
H        2.1337520670     1.5983901314     1.4672631242  0.00    0.0000000    0.0000000    0.0000000
H        2.8457239422    -0.0662369501     1.7983031691  0.00    0.0000000    0.0000000    0.0000000
H        2.2215333731     1.1616221605    -0.9851716183  0.00    0.0000000    0.0000000    0.0000000
C        3.1619573163    -0.8320181082    -0.8769965777  0.00    0.0000000    0.0000000    0.0000000
H        3.2428607375    -1.6251731127    -0.1348659426  0.00    0.0000000    0.0000000    0.0000000
H        2.6694619544    -1.2296087542    -1.7639665540  0.00    0.0000000    0.0000000    0.0000000
H        4.1637243810    -0.5081113520    -1.1584050778  0.00    0.0000000    0.0000000    0.0000000
18
E =   116.000000000000
C       -2.1715620471    -0.0929788618    -0.0709077402  0.00    0.0000000    0.0000000    0.0000000
O       -1.2776484066     0.8944207974    -0.0501156422  0.00    0.0000000    0.0000000    0.0000000
O       -1.8813602180    -1.2456629187     0.1407625377  0.00    0.0000000    0.0000000    0.0000000
C       -3.5554215568     0.3941817571    -0.3842277783  0.00    0.0000000    0.0000000    0.0000000
H       -3.8576409666     1.1316388465     0.3579490897  0.00    0.0000000    0.0000000    0.0000000
H       -3.5550991572     0.8861589060    -1.3558714211  0.00    0.0000000    0.0000000    0.0000000
H       -4.2486701301    -0.4397364820    -0.3874434610  0.00    0.0000000    0.0000000    0.0000000
O        1.2243903038    -0.0369436957     0.4428942005  0.00    0.0000000    0.0000000    0.0000000
H       -0.3826015574     0.5327622540     0.1530774154  0.00    0.0000000    0.0000000    0.0000000
C        2.3798052088     0.3197159566    -0.3229098664  0.00    0.0000000    0.0000000    0.0000000
C        2.3154504583     0.5973086792     1.1128173723  0.00    0.0000000    0.0000000    0.0000000
H        2.1157909193     1.6030402851     1.4588317187  0.00    0.0000000    0.0000000    0.0000000
H        2.8501445604    -0.0505586940     1.7962120571  0.00    0.0000000    0.0000000    0.0000000
H        2.2028168882     1.1551490393    -0.9916700910  0.00    0.0000000    0.0000000    0.0000000
C        3.1695803858    -0.8254231631    -0.8759665625  0.00    0.0000000    0.0000000    0.0000000
H        3.2626272310    -1.6137852308    -0.1301502852  0.00    0.0000000    0.0000000    0.0000000
H        2.6803423384    -1.2337734272    -1.7598295219  0.00    0.0000000    0.0000000    0.0000000
H        4.1663593163    -0.4897708890    -1.1612770668  0.00    0.0000000    0.0000000    0.0000000
18
E =   117.000000000000
C       -2.1711886705    -0.0927058379    -0.0701596645  0.00    0.0000000    0.0000000    0.0000000
O       -1.2721978518     0.8899351491    -0.0491013434  0.00    0.0000000    0.0000000    0.0000000
O       -1.8871068809    -1.2468178573     0.1421106609  0.00    0.0000000    0.0000000    0.0000000
C       -3.5522909913     0.4014926368    -0.3845801045  0.00    0.0000000    0.0000000    0.0000000
H       -3.8512809527     1.1405464309     0.3573226333  0.00    0.0000000    0.0000000    0.0000000
H       -3.5486899323     0.8934029321    -1.3562429223  0.00    0.0000000    0.0000000    0.0000000
H       -4.2498275407    -0.4287970229    -0.3882599685  0.00    0.0000000    0.0000000    0.0000000
O        1.2248558256    -0.0488990915     0.4451791883  0.00    0.0000000    0.0000000    0.0000000
H       -0.3790161838     0.5235036750     0.1548003102  0.00    0.0000000    0.0000000    0.0000000
C        2.3736486372     0.3187305642    -0.3255712770  0.00    0.0000000    0.0000000    0.0000000
C        2.3095305124     0.6027267801     1.1088551790  0.00    0.0000000    0.0000000    0.0000000
H        2.0977108460     1.6074259713     1.4504017674  0.00    0.0000000    0.0000000    0.0000000
H        2.8542803966    -0.0346852613     1.7940217761  0.00    0.0000000    0.0000000    0.0000000
H        2.1839114932     1.1482528783    -0.9980957610  0.00    0.0000000    0.0000000    0.0000000
C        3.1767495243    -0.8187885849    -0.8749760309  0.00    0.0000000    0.0000000    0.0000000
H        3.2821315132    -1.6019303259    -0.1253997900  0.00    0.0000000    0.0000000    0.0000000
H        2.6906841086    -1.2380142704    -1.7554297327  0.00    0.0000000    0.0000000    0.0000000
H        4.1682000019    -0.4715221271    -1.1646515216  0.00    0.0000000    0.0000000    0.0000000
18
E =   118.000000000000
C       -2.1707321227    -0.0924921198    -0.0694174489  0.00    0.0000000    0.0000000    0.0000000
O       -1.2666247072     0.8853794131    -0.0481061449  0.00    0.0000000    0.0000000    0.0000000
O       -1.8927894922    -1.2480567148     0.1434461410  0.00    0.0000000    0.0000000    0.0000000
C       -3.5490386036     0.4088759834    -0.3848841033  0.00    0.0000000    0.0000000    0.0000000
H       -3.8446839779     1.1495339680     0.3567681019  0.00    0.0000000    0.0000000    0.0000000
H       -3.5421082288     0.9007778222    -1.3565494341  0.00    0.0000000    0.0000000    0.0000000
H       -4.2509796668    -0.4177212217    -0.3890779840  0.00    0.0000000    0.0000000    0.0000000
O        1.2251897267    -0.0606843474     0.4474270018  0.00    0.0000000    0.0000000    0.0000000
H       -0.3752735178     0.5141723949     0.1565036230  0.00    0.0000000    0.0000000    0.0000000
C        2.3674771897     0.3177439306    -0.3282047455  0.00    0.0000000    0.0000000    0.0000000
C        2.3034925121     0.6081209429     1.1048986295  0.00    0.0000000    0.0000000    0.0000000
H        2.0796258596     1.6117839423     1.4420169723  0.00    0.0000000    0.0000000    0.0000000
H        2.8580791262    -0.0189286087     1.7918269371  0.00    0.0000000    0.0000000    0.0000000
H        2.1651528429     1.1413435706    -1.0044636736  0.00    0.0000000    0.0000000    0.0000000
C        3.1837814032    -0.8121683116    -0.8739815550  0.00    0.0000000    0.0000000    0.0000000
H        3.3016921244    -1.5899454210    -0.1205998020  0.00    0.0000000    0.0000000    0.0000000
H        2.7007253261    -1.2423880941    -1.7508373237  0.00    0.0000000    0.0000000    0.0000000
H        4.1698116958    -0.4533296218    -1.1683415724  0.00    0.0000000    0.0000000    0.0000000
18
E =   119.000000000000
C       -2.1702974296    -0.0923347630    -0.0686677493  0.00    0.0000000    0.0000000    0.0000000
O       -1.2610182943     0.8806170449    -0.0471626945  0.00    0.0000000    0.0000000    0.0000000
O       -1.8986708891    -1.2493228958     0.1448409228  0.00    0.0000000    0.0000000    0.0000000
C       -3.5457060602     0.4163240628    -0.3851899529  0.00    0.0000000    0.0000000    0.0000000
H       -3.8379125177     1.1585644578     0.3562700952  0.00    0.0000000    0.0000000    0.0000000
H       -3.5353798190     0.9082522502    -1.3568194002  0.00    0.0000000    0.0000000    0.0000000
H       -4.2521013238    -0.4064574163    -0.3899314566  0.00    0.0000000    0.0000000    0.0000000
O        1.2257346670    -0.0721894851     0.4496020237  0.00    0.0000000    0.0000000    0.0000000
H       -0.3715882912     0.5046078622     0.1581692048  0.00    0.0000000    0.0000000    0.0000000
C        2.3614431006     0.3166986129    -0.3307876162  0.00    0.0000000    0.0000000    0.0000000
C        2.2973530792     0.6134106689     1.1009675780  0.00    0.0000000    0.0000000    0.0000000
H        2.0616062060     1.6158091203     1.4337132029  0.00    0.0000000    0.0000000    0.0000000
H        2.8613760908    -0.0032355054     1.7895943348  0.00    0.0000000    0.0000000    0.0000000
H        2.1468514008     1.1342010649    -1.0106707843  0.00    0.0000000    0.0000000    0.0000000
C        3.1906821699    -0.8054458651    -0.8729972626  0.00    0.0000000    0.0000000    0.0000000
H        3.3210781072    -1.5775188978    -0.1158100582  0.00    0.0000000    0.0000000    0.0000000
H        2.7107143218    -1.2466436260    -1.7460779989  0.00    0.0000000    0.0000000    0.0000000
H        4.1710521856    -0.4352709796    -1.1722292358  0.00    0.0000000    0.0000000    0.0000000
18
E =   120.000000000000
C       -2.1699444403    -0.0922114138    -0.0679246017  0.00    0.0000000    0.0000000    0.0000000
O       -1.2554449640     0.8757433002    -0.0463056003  0.00    0.0000000    0.0000000    0.0000000
O       -1.9047130984    -1.2505786849     0.1462897363  0.00    0.0000000    0.0000000    0.0000000
C       -3.5423743153     0.4238151119    -0.3854913995  0.00    0.0000000    0.0000000    0.0000000
H       -3.8310796579     1.1676270367     0.3557598822  0.00    0.0000000    0.0000000    0.0000000
H       -3.5286356119     0.9157289722    -1.3570873537  0.00    0.0000000    0.0000000    0.0000000
H       -4.2532396737    -0.3951013550    -0.3907573208  0.00    0.0000000    0.0000000    0.0000000
O        1.2264951131    -0.0836018222     0.4517908467  0.00    0.0000000    0.0000000    0.0000000
H       -0.3680032739     0.4948966745     0.1597768927  0.00    0.0000000    0.0000000    0.0000000
C        2.3555340177     0.3156286584    -0.3333271579  0.00    0.0000000    0.0000000    0.0000000
C        2.2911962932     0.6186256780     1.0970477555  0.00    0.0000000    0.0000000    0.0000000
H        2.0435830006     1.6196085356     1.4254460647  0.00    0.0000000    0.0000000    0.0000000
H        2.8644861179     0.0124967491     1.7873331653  0.00    0.0000000    0.0000000    0.0000000
H        2.1288422278     1.1268871909    -1.0167605704  0.00    0.0000000    0.0000000    0.0000000
C        3.1975472350    -0.7986207227    -0.8720359032  0.00    0.0000000    0.0000000    0.0000000
H        3.3403791966    -1.5647609115    -0.1110763193  0.00    0.0000000    0.0000000    0.0000000
H        2.7207262280    -1.2507860135    -1.7412119872  0.00    0.0000000    0.0000000    0.0000000
H        4.1720752717    -0.4172956617    -1.1763097006  0.00    0.0000000    0.0000000    0.0000000
18
E =   121.000000000000
C       -2.1697056736    -0.0921215297    -0.0671770476  0.00    0.0000000    0.0000000    0.0000000
O       -1.2498937317     0.8706944346    -0.0455113122  0.00    0.0000000    0.0000000    0.0000000
O       -1.9110149026    -1.2518699202     0.1477932835  0.00    0.0000000    0.0000000    0.0000000
C       -3.5390593487     0.4313904107    -0.3857945418  0.00    0.0000000    0.0000000    0.0000000
H       -3.8241558177     1.1768550857     0.3552037288  0.00    0.0000000    0.0000000    0.0000000
H       -3.5218818366     0.9231788942    -1.3574057397  0.00    0.0000000    0.0000000    0.0000000
H       -4.2544566681    -0.3835577681    -0.3914949226  0.00    0.0000000    0.0000000    0.0000000
O        1.2274999229    -0.0948805625     0.4539577192  0.00    0.0000000    0.0000000    0.0000000
H       -0.3645103969     0.4849567330     0.1613304753  0.00    0.0000000    0.0000000    0.0000000
C        2.3497991988     0.3145272020    -0.3358229735  0.00    0.0000000    0.0000000    0.0000000
C        2.2850367355     0.6237958672     1.0931490032  0.00    0.0000000    0.0000000    0.0000000
H        2.0256296244     1.6232109290     1.4172039118  0.00    0.0000000    0.0000000    0.0000000
H        2.8673875533     0.0282700510     1.7850366763  0.00    0.0000000    0.0000000    0.0000000
H        2.1111934272     1.1194435163    -1.0227367328  0.00    0.0000000    0.0000000    0.0000000
C        3.2044208659    -0.7916853442    -0.8710994498  0.00    0.0000000    0.0000000    0.0000000
H        3.3595322190    -1.5516907576    -0.1064179558  0.00    0.0000000    0.0000000    0.0000000
H        2.7308487190    -1.2547273670    -1.7362974336  0.00    0.0000000    0.0000000    0.0000000
H        4.1729924384    -0.3994327136    -1.1804354804  0.00    0.0000000    0.0000000    0.0000000
18
E =   122.000000000000
C       -2.1696683416    -0.0920872991    -0.0664988485  0.00    0.0000000    0.0000000    0.0000000
O       -1.2444422949     0.8654363718    -0.0447961785  0.00    0.0000000    0.0000000    0.0000000
O       -1.9176822492    -1.2531632315     0.1491927255  0.00    0.0000000    0.0000000    0.0000000
C       -3.5358138665     0.4390149468    -0.3860961831  0.00    0.0000000    0.0000000    0.0000000
H       -3.8171576258     1.1862308219     0.3545738947  0.00    0.0000000    0.0000000    0.0000000
H       -3.5152600012     0.9304752156    -1.3577878297  0.00    0.0000000    0.0000000    0.0000000
H       -4.2557715010    -0.3718626208    -0.3920180303  0.00    0.0000000    0.0000000    0.0000000
O        1.2289662673    -0.1059862506     0.4563957351  0.00    0.0000000    0.0000000    0.0000000
H       -0.3612491302     0.4747587606     0.1628782998  0.00    0.0000000    0.0000000    0.0000000
C        2.3442069674     0.3133641493    -0.3382800380  0.00    0.0000000    0.0000000    0.0000000
C        2.2791401554     0.6289863372     1.0892444678  0.00    0.0000000    0.0000000    0.0000000
H        2.0080284817     1.6266403338     1.4089404695  0.00    0.0000000    0.0000000    0.0000000
H        2.8704574170     0.0443115277     1.7826724823  0.00    0.0000000    0.0000000    0.0000000
H        2.0937677257     1.1116736187    -1.0286074455  0.00    0.0000000    0.0000000    0.0000000
C        3.2111790073    -0.7846548449    -0.8702211638  0.00    0.0000000    0.0000000    0.0000000
H        3.3786020977    -1.5382411649    -0.1018842394  0.00    0.0000000    0.0000000    0.0000000
H        2.7409076063    -1.2585624014    -1.7312778630  0.00    0.0000000    0.0000000    0.0000000
H        4.1735317258    -0.3816701030    -1.1849156133  0.00    0.0000000    0.0000000    0.0000000
18
E =   123.000000000000
C       -2.1697063966    -0.0921231457    -0.0657937504  0.00    0.0000000    0.0000000    0.0000000
O       -1.2389793626     0.8600194993    -0.0440250542  0.00    0.0000000    0.0000000    0.0000000
O       -1.9245452877    -1.2545812386     0.1505744976  0.00    0.0000000    0.0000000    0.0000000
C       -3.5326004209     0.4467883135    -0.3864160337  0.00    0.0000000    0.0000000    0.0000000
H       -3.8099789927     1.1959543948     0.3537862412  0.00    0.0000000    0.0000000    0.0000000
H       -3.5085891387     0.9377462385    -1.3582856507  0.00    0.0000000    0.0000000    0.0000000
H       -4.2573019971    -0.3598726853    -0.3924249305  0.00    0.0000000    0.0000000    0.0000000
O        1.2304883152    -0.1169498655     0.4588081416  0.00    0.0000000    0.0000000    0.0000000
H       -0.3579920799     0.4643485250     0.1644656975  0.00    0.0000000    0.0000000    0.0000000
C        2.3387549258     0.3122256073    -0.3407172168  0.00    0.0000000    0.0000000    0.0000000
C        2.2732840706     0.6342250002     1.0853249124  0.00    0.0000000    0.0000000    0.0000000
H        1.9904852557     1.6301100939     1.4006406998  0.00    0.0000000    0.0000000    0.0000000
H        2.8734670076     0.0603960646     1.7802733665  0.00    0.0000000    0.0000000    0.0000000
H        2.0765583630     1.1039046856    -1.0344652324  0.00    0.0000000    0.0000000    0.0000000
C        3.2180076306    -0.7776276600    -0.8693552480  0.00    0.0000000    0.0000000    0.0000000
H        3.3975926250    -1.5247951014    -0.0974163156  0.00    0.0000000    0.0000000    0.0000000
H        2.7510484741    -1.2622760216    -1.7262791507  0.00    0.0000000    0.0000000    0.0000000
H        4.1741715722    -0.3640350911    -1.1893488987  0.00    0.0000000    0.0000000    0.0000000
18
E =   124.000000000000
C       -2.1699337515    -0.0922259048    -0.0650899216  0.00    0.0000000    0.0000000    0.0000000
O       -1.2335623109     0.8543114840    -0.0432442762  0.00    0.0000000    0.0000000    0.0000000
O       -1.9318290777    -1.2560417458     0.1519669574  0.00    0.0000000    0.0000000    0.0000000
C       -3.5293953808     0.4546695831    -0.3867416270  0.00    0.0000000    0.0000000    0.0000000
H       -3.8026275910     1.2059370065     0.3528850116  0.00    0.0000000    0.0000000    0.0000000
H       -3.5018967797     0.9449231268    -1.3588816189  0.00    0.0000000    0.0000000    0.0000000
H       -4.2589549862    -0.3476009329    -0.3926592054  0.00    0.0000000    0.0000000    0.0000000
O        1.2323505658    -0.1276268883     0.4611828013  0.00    0.0000000    0.0000000    0.0000000
H       -0.3548936759     0.4535685353     0.1660564950  0.00    0.0000000    0.0000000    0.0000000
C        2.3335571942     0.3110525633    -0.3431241192  0.00    0.0000000    0.0000000    0.0000000
C        2.2674904400     0.6394198789     1.0813975633  0.00    0.0000000    0.0000000    0.0000000
H        1.9731648430     1.6333489981     1.3923463113  0.00    0.0000000    0.0000000    0.0000000
H        2.8761859133     0.0765315448     1.7778441530  0.00    0.0000000    0.0000000    0.0000000
H        2.0599184101     1.0959116323    -1.0401906192  0.00    0.0000000    0.0000000    0.0000000
C        3.2248559632    -0.7705063915    -0.8684840442  0.00    0.0000000    0.0000000    0.0000000
H        3.4162835363    -1.5110837615    -0.0930712150  0.00    0.0000000    0.0000000    0.0000000
H        2.7615141927    -1.2656734963    -1.7213373419  0.00    0.0000000    0.0000000    0.0000000
H        4.1747248046    -0.3465842680    -1.1936455208  0.00    0.0000000    0.0000000    0.0000000
18
E =   125.000000000000
C       -2.1704382293    -0.0923712891    -0.0643904445  0.00    0.0000000    0.0000000    0.0000000
O       -1.2283023065     0.8483917786    -0.0425012268  0.00    0.0000000    0.0000000    0.0000000
O       -1.9395855860    -1.2575220489     0.1534262990  0.00    0.0000000    0.0000000    0.0000000
C       -3.5263410778     0.4626385003    -0.3871159636  0.00    0.0000000    0.0000000    0.0000000
H       -3.7953164703     1.2160574960     0.3518728553  0.00    0.0000000    0.0000000    0.0000000
H       -3.4952988125     0.9520632448    -1.3595639975  0.00    0.0000000    0.0000000    0.0000000
H       -4.2607958276    -0.3351578466    -0.3928793886  0.00    0.0000000    0.0000000    0.0000000
O        1.2346039818    -0.1381500315     0.4635736168  0.00    0.0000000    0.0000000    0.0000000
H       -0.3520484600     0.4425185102     0.1676337975  0.00    0.0000000    0.0000000    0.0000000
C        2.3286795849     0.3098676259    -0.3454839208  0.00    0.0000000    0.0000000    0.0000000
C        2.2618871120     0.6445725330     1.0774863626  0.00    0.0000000    0.0000000    0.0000000
H        1.9560859133     1.6364074055     1.3841037930  0.00    0.0000000    0.0000000    0.0000000
H        2.8789291513     0.0927119530     1.7753777189  0.00    0.0000000    0.0000000    0.0000000
H        2.0437656089     1.0878020025    -1.0458165432  0.00    0.0000000    0.0000000    0.0000000
C        3.2318907713    -0.7632875178    -0.8676580373  0.00    0.0000000    0.0000000    0.0000000
H        3.4349804532    -1.4971805570    -0.0888737916  0.00    0.0000000    0.0000000    0.0000000
H        2.7723067319    -1.2687969554    -1.7164533168  0.00    0.0000000    0.0000000    0.0000000
H        4.1753494394    -0.3291723996    -1.1979556923  0.00    0.0000000    0.0000000    0.0000000
18
E =   126.000000000000
C       -2.1711870585    -0.0925518212    -0.0636593599  0.00    0.0000000    0.0000000    0.0000000
O       -1.2231946718     0.8422813862    -0.0417839484  0.00    0.0000000    0.0000000    0.0000000
O       -1.9477472809    -1.2590013632     0.1550142800  0.00    0.0000000    0.0000000    0.0000000
C       -3.5233968711     0.4706809855    -0.3875367391  0.00    0.0000000    0.0000000    0.0000000
H       -3.7880880015     1.2262392090     0.3508267292  0.00    0.0000000    0.0000000    0.0000000
H       -3.4887324714     0.9592883419    -1.3602818196  0.00    0.0000000    0.0000000    0.0000000
H       -4.2628017753    -0.3225290378    -0.3932226852  0.00    0.0000000    0.0000000    0.0000000
O        1.2371702407    -0.1485120146     0.4658482292  0.00    0.0000000    0.0000000    0.0000000
H       -0.3494419427     0.4312286508     0.1691564538  0.00    0.0000000    0.0000000    0.0000000
C        2.3241179940     0.3086656489    -0.3478190490  0.00    0.0000000    0.0000000    0.0000000
C        2.2563668540     0.6496247406     1.0735856169  0.00    0.0000000    0.0000000    0.0000000
H        1.9391499773     1.6392046330     1.3759326013  0.00    0.0000000    0.0000000    0.0000000
H        2.8814792851     0.1088074200     1.7729088678  0.00    0.0000000    0.0000000    0.0000000
H        2.0282045809     1.0795987024    -1.0513353608  0.00    0.0000000    0.0000000    0.0000000
C        3.2391563647    -0.7559601078    -0.8668269459  0.00    0.0000000    0.0000000    0.0000000
H        3.4536483774    -1.4830996062    -0.0847826856  0.00    0.0000000    0.0000000    0.0000000
H        2.7835553476    -1.2716254716    -1.7116406309  0.00    0.0000000    0.0000000    0.0000000
H        4.1761258350    -0.3117836947    -1.2021078295  0.00    0.0000000    0.0000000    0.0000000
18
E =   127.000000000000
C       -2.1720245149    -0.0927248981    -0.0629489946  0.00    0.0000000    0.0000000    0.0000000
O       -1.2182221299     0.8360988011    -0.0410976855  0.00    0.0000000    0.0000000    0.0000000
O       -1.9560216864    -1.2603790111     0.1565373224  0.00    0.0000000    0.0000000    0.0000000
C       -3.5205006187     0.4786791647    -0.3879141272  0.00    0.0000000    0.0000000    0.0000000
H       -3.7809286874     1.2362004424     0.3499255457  0.00    0.0000000    0.0000000    0.0000000
H       -3.4822512580     0.9665390116    -1.3608877833  0.00    0.0000000    0.0000000    0.0000000
H       -4.2647512615    -0.3099641219    -0.3936108424  0.00    0.0000000    0.0000000    0.0000000
O        1.2399948478    -0.1587505469     0.4682087426  0.00    0.0000000    0.0000000    0.0000000
H       -0.3470520135     0.4199003069     0.1706461005  0.00    0.0000000    0.0000000    0.0000000
C        2.3196865660     0.3073361735    -0.3501408364  0.00    0.0000000    0.0000000    0.0000000
C        2.2508744918     0.6546228635     1.0696472184  0.00    0.0000000    0.0000000    0.0000000
H        1.9223283654     1.6417488096     1.3677010596  0.00    0.0000000    0.0000000    0.0000000
H        2.8838502795     0.1249933790     1.7703406653  0.00    0.0000000    0.0000000    0.0000000
H        2.0129305274     1.0710214723    -1.0568258153  0.00    0.0000000    0.0000000    0.0000000
C        3.2464035611    -0.7485764059    -0.8659802830  0.00    0.0000000    0.0000000    0.0000000
H        3.4722439854    -1.4686769436    -0.0807114193  0.00    0.0000000    0.0000000    0.0000000
H        2.7949948941    -1.2743928182    -1.7067344329  0.00    0.0000000    0.0000000    0.0000000
H        4.1766717783    -0.2944594299    -1.2063876172  0.00    0.0000000    0.0000000    0.0000000
18
E =   128.000000000000
C       -2.1727318278    -0.0928854135    -0.0622070618  0.00    0.0000000    0.0000000    0.0000000
O       -1.2131855331     0.8300212618    -0.0403547541  0.00    0.0000000    0.0000000    0.0000000
O       -1.9640132267    -1.2617598501     0.1579992166  0.00    0.0000000    0.0000000    0.0000000
C       -3.5175180838     0.4866698356    -0.3881582331  0.00    0.0000000    0.0000000    0.0000000
H       -3.7736281210     1.2461667134     0.3491852713  0.00    0.0000000    0.0000000    0.0000000
H       -3.4757430989     0.9738300940    -1.3613397056  0.00    0.0000000    0.0000000    0.0000000
H       -4.2666501925    -0.2973802153    -0.3938664966  0.00    0.0000000    0.0000000    0.0000000
O        1.2426218409    -0.1689978247     0.4703909267  0.00    0.0000000    0.0000000    0.0000000
H       -0.3445432459     0.4086755905     0.1720927457  0.00    0.0000000    0.0000000    0.0000000
C        2.3151834194     0.3059501518    -0.3525019484  0.00    0.0000000    0.0000000    0.0000000
C        2.2450623157     0.6596075326     1.0656235979  0.00    0.0000000    0.0000000    0.0000000
H        1.9051219314     1.6442542864     1.3593340150  0.00    0.0000000    0.0000000    0.0000000
H        2.8857902645     0.1412025470     1.7677642534  0.00    0.0000000    0.0000000    0.0000000
H        1.9976953984     1.0623373639    -1.0624073344  0.00    0.0000000    0.0000000    0.0000000
C        3.2536579463    -0.7412408061    -0.8649955873  0.00    0.0000000    0.0000000    0.0000000
H        3.4905800185    -1.4542982786    -0.0764779552  0.00    0.0000000    0.0000000    0.0000000
H        2.8066583849    -1.2771430234    -1.7017762392  0.00    0.0000000    0.0000000    0.0000000
H        4.1773235989    -0.2772848591    -1.2102745452  0.00    0.0000000    0.0000000    0.0000000
18
E =   129.000000000000
C       -2.1731347759    -0.0930166960    -0.0614575398  0.00    0.0000000    0.0000000    0.0000000
O       -1.2080815429     0.8240906742    -0.0395488093  0.00    0.0000000    0.0000000    0.0000000
O       -1.9714312401    -1.2630419087     0.1591826441  0.00    0.0000000    0.0000000    0.0000000
C       -3.5142781567     0.4945332820    -0.3880645085  0.00    0.0000000    0.0000000    0.0000000
H       -3.7659265360     1.2559839582     0.3488029957  0.00    0.0000000    0.0000000    0.0000000
H       -3.4691894717     0.9809430746    -1.3614826032  0.00    0.0000000    0.0000000    0.0000000
H       -4.2682221328    -0.2848818123    -0.3936430494  0.00    0.0000000    0.0000000    0.0000000
O        1.2449809143    -0.1790371784     0.4723793012  0.00    0.0000000    0.0000000    0.0000000
H       -0.3419277924     0.3976720188     0.1734304196  0.00    0.0000000    0.0000000    0.0000000
C        2.3105115001     0.3043539425    -0.3548945100  0.00    0.0000000    0.0000000    0.0000000
C        2.2387039841     0.6645159790     1.0614659417  0.00    0.0000000    0.0000000    0.0000000
H        1.8874994526     1.6465698302     1.3507034556  0.00    0.0000000    0.0000000    0.0000000
H        2.8867230537     0.1574300711     1.7651502879  0.00    0.0000000    0.0000000    0.0000000
H        1.9826523945     1.0531684880    -1.0681220127  0.00    0.0000000    0.0000000    0.0000000
C        3.2606604315    -0.7340302536    -0.8637721135  0.00    0.0000000    0.0000000    0.0000000
H        3.5083825242    -1.4396919974    -0.0719355447  0.00    0.0000000    0.0000000    0.0000000
H        2.8184590118    -1.2800537216    -1.6965586332  0.00    0.0000000    0.0000000    0.0000000
H        4.1776288558    -0.2604599949    -1.2138257959  0.00    0.0000000    0.0000000    0.0000000
18
E =   130.000000000000
C       -2.1732569737    -0.0930987734    -0.0607295308  0.00    0.0000000    0.0000000    0.0000000
O       -1.2029346682     0.8183759868    -0.0386124120  0.00    0.0000000    0.0000000    0.0000000
O       -1.9782657717    -1.2642708200     0.1598830222  0.00    0.0000000    0.0000000    0.0000000
C       -3.5108754782     0.5022566428    -0.3876097933  0.00    0.0000000    0.0000000    0.0000000
H       -3.7579219140     1.2656531987     0.3487985936  0.00    0.0000000    0.0000000    0.0000000
H       -3.4628282345     0.9878277235    -1.3613099746  0.00    0.0000000    0.0000000    0.0000000
H       -4.2695343634    -0.2725693700    -0.3928183483  0.00    0.0000000    0.0000000    0.0000000
O        1.2471429144    -0.1889559874     0.4743693914  0.00    0.0000000    0.0000000    0.0000000
H       -0.3392005187     0.3869824529     0.1746964868  0.00    0.0000000    0.0000000    0.0000000
C        2.3056284957     0.3025484850    -0.3573367022  0.00    0.0000000    0.0000000    0.0000000
C        2.2319539895     0.6695162595     1.0571348550  0.00    0.0000000    0.0000000    0.0000000
H        1.8695202071     1.6488852976     1.3416839468  0.00    0.0000000    0.0000000    0.0000000
H        2.8870563097     0.1739453680     1.7624489866  0.00    0.0000000    0.0000000    0.0000000
H        1.9675698272     1.0434744718    -1.0740552524  0.00    0.0000000    0.0000000    0.0000000
C        3.2673721868    -0.7270354290    -0.8623216409  0.00    0.0000000    0.0000000    0.0000000
H        3.5257871132    -1.4248675999    -0.0669735443  0.00    0.0000000    0.0000000    0.0000000
H        2.8301243005    -1.2833896738    -1.6908689919  0.00    0.0000000    0.0000000    0.0000000
H        4.1775286832    -0.2440737045    -1.2173193686  0.00    0.0000000    0.0000000    0.0000000
18
E =   131.000000000000
C       -2.1731416377    -0.0931419998    -0.0600170480  0.00    0.0000000    0.0000000    0.0000000
O       -1.1977582693     0.8128579681    -0.0374147212  0.00    0.0000000    0.0000000    0.0000000
O       -1.9846026281    -1.2654742561     0.1601005243  0.00    0.0000000    0.0000000    0.0000000
C       -3.5073409076     0.5098473303    -0.3868476323  0.00    0.0000000    0.0000000    0.0000000
H       -3.7496417231     1.2751840337     0.3491255498  0.00    0.0000000    0.0000000    0.0000000
H       -3.4565952855     0.9945347193    -1.3608591301  0.00    0.0000000    0.0000000    0.0000000
H       -4.2706056146    -0.2604396712    -0.3914948739  0.00    0.0000000    0.0000000    0.0000000
O        1.2491335310    -0.1987065994     0.4762916482  0.00    0.0000000    0.0000000    0.0000000
H       -0.3363921304     0.3765495763     0.1760065528  0.00    0.0000000    0.0000000    0.0000000
C        2.3006280122     0.3005452124    -0.3598619086  0.00    0.0000000    0.0000000    0.0000000
C        2.2248254504     0.6746223650     1.0525947207  0.00    0.0000000    0.0000000    0.0000000
H        1.8511960690     1.6512332640     1.3322364583  0.00    0.0000000    0.0000000    0.0000000
H        2.8867584208     0.1907875090     1.7596733003  0.00    0.0000000    0.0000000    0.0000000
H        1.9525981993     1.0332868912    -1.0802288562  0.00    0.0000000    0.0000000    0.0000000
C        3.2738381614    -0.7202805342    -0.8606109892  0.00    0.0000000    0.0000000    0.0000000
H        3.5427431625    -1.4098430382    -0.0615424940  0.00    0.0000000    0.0000000    0.0000000
H        2.8417375372    -1.2871409685    -1.6847178180  0.00    0.0000000    0.0000000    0.0000000
H        4.1771141212    -0.2282187453    -1.2206577622  0.00    0.0000000    0.0000000    0.0000000
18
E =   132.000000000000
C       -2.1727666304    -0.0931318335    -0.0593510833  0.00    0.0000000    0.0000000    0.0000000
O       -1.1926138653     0.8076347920    -0.0358501924  0.00    0.0000000    0.0000000    0.0000000
O       -1.9903492868    -1.2666133751     0.1597429130  0.00    0.0000000    0.0000000    0.0000000
C       -3.5036645340     0.5172271639    -0.3858606468  0.00    0.0000000    0.0000000    0.0000000
H       -3.7413116784     1.2843317577     0.3497572653  0.00    0.0000000    0.0000000    0.0000000
H       -3.4504695526     1.0010888642    -1.3601606827  0.00    0.0000000    0.0000000    0.0000000
H       -4.2713203130    -0.2486639284    -0.3899488228  0.00    0.0000000    0.0000000    0.0000000
O        1.2510831521    -0.2082922379     0.4783442081  0.00    0.0000000    0.0000000    0.0000000
H       -0.3335764787     0.3664920443     0.1774842464  0.00    0.0000000    0.0000000    0.0000000
C        2.2954309167     0.2982594425    -0.3624675631  0.00    0.0000000    0.0000000    0.0000000
C        2.2173797934     0.6798636277     1.0478021554  0.00    0.0000000    0.0000000    0.0000000
H        1.8325833023     1.6535391983     1.3222277065  0.00    0.0000000    0.0000000    0.0000000
H        2.8859345488     0.2081562683     1.7567188593  0.00    0.0000000    0.0000000    0.0000000
H        1.9375898227     1.0223476886    -1.0866849906  0.00    0.0000000    0.0000000    0.0000000
C        3.2798933258    -0.7137831880    -0.8587030171  0.00    0.0000000    0.0000000    0.0000000
H        3.5592044516    -1.3944750889    -0.0557021496  0.00    0.0000000    0.0000000    0.0000000
H        2.8530389837    -1.2914386360    -1.6779544490  0.00    0.0000000    0.0000000    0.0000000
H        4.1760740965    -0.2129979425    -1.2242093616  0.00    0.0000000    0.0000000    0.0000000
18
E =   133.000000000000
C       -2.1722296176    -0.0930937321    -0.0586536655  0.00    0.0000000    0.0000000    0.0000000
O       -1.1874516063     0.8025715847    -0.0339313333  0.00    0.0000000    0.0000000    0.0000000
O       -1.9957497279    -1.2678051092     0.1590027983  0.00    0.0000000    0.0000000    0.0000000
C       -3.4999074300     0.5245512572    -0.3846829069  0.00    0.0000000    0.0000000    0.0000000
H       -3.7328741158     1.2933404796     0.3506627874  0.00    0.0000000    0.0000000    0.0000000
H       -3.4443507960     1.0076914446    -1.3592284802  0.00    0.0000000    0.0000000    0.0000000
H       -4.2718944158    -0.2369997612    -0.3882642437  0.00    0.0000000    0.0000000    0.0000000
O        1.2528081540    -0.2177560628     0.4802534567  0.00    0.0000000    0.0000000    0.0000000
H       -0.3306527819     0.3565962884     0.1791251002  0.00    0.0000000    0.0000000    0.0000000
C        2.2901539860     0.2958476550    -0.3651700971  0.00    0.0000000    0.0000000    0.0000000
C        2.2096434427     0.6852688501     1.0427919816  0.00    0.0000000    0.0000000    0.0000000
H        1.8136649442     1.6560722734     1.3117583020  0.00    0.0000000    0.0000000    0.0000000
H        2.8846700033     0.2258376076     1.7536956841  0.00    0.0000000    0.0000000    0.0000000
H        1.9226647549     1.0111533779    -1.0934119126  0.00    0.0000000    0.0000000    0.0000000
C        3.2859211919    -0.7075482981    -0.8565563488  0.00    0.0000000    0.0000000    0.0000000
H        3.5753973061    -1.3792465800    -0.0495061956  0.00    0.0000000    0.0000000    0.0000000
H        2.8644666674    -1.2960558463    -1.6709223115  0.00    0.0000000    0.0000000    0.0000000
H        4.1751245257    -0.1981933972    -1.2274170863  0.00    0.0000000    0.0000000    0.0000000
18
E =   134.000000000000
C       -2.1716357820    -0.0930842695    -0.0579096245  0.00    0.0000000    0.0000000    0.0000000
O       -1.1823627244     0.7975221214    -0.0317061411  0.00    0.0000000    0.0000000    0.0000000
O       -2.0009979678    -1.2690096722     0.1579293227  0.00    0.0000000    0.0000000    0.0000000
C       -3.4960599550     0.5318430597    -0.3832494855  0.00    0.0000000    0.0000000    0.0000000
H       -3.7243296257     1.3020959310     0.3520317962  0.00    0.0000000    0.0000000    0.0000000
H       -3.4381868131     1.0144962450    -1.3579211225  0.00    0.0000000    0.0000000    0.0000000
H       -4.2723203661    -0.2253472200    -0.3864751777  0.00    0.0000000    0.0000000    0.0000000
O        1.2544809560    -0.2268864582     0.4818679820  0.00    0.0000000    0.0000000    0.0000000
H       -0.3277825672     0.3467546767     0.1807951168  0.00    0.0000000    0.0000000    0.0000000
C        2.2850659184     0.2932760484    -0.3679613327  0.00    0.0000000    0.0000000    0.0000000
C        2.2015661113     0.6907296118     1.0375519307  0.00    0.0000000    0.0000000    0.0000000
H        1.7945006277     1.6585457761     1.3007799732  0.00    0.0000000    0.0000000    0.0000000
H        2.8825454684     0.2437214939     1.7506635222  0.00    0.0000000    0.0000000    0.0000000
H        1.9084282659     0.9995492634    -1.1003611663  0.00    0.0000000    0.0000000    0.0000000
C        3.2919478570    -0.7015112962    -0.8540905889  0.00    0.0000000    0.0000000    0.0000000
H        3.5908410384    -1.3640644967    -0.0429357875  0.00    0.0000000    0.0000000    0.0000000
H        2.8763107926    -1.3006670017    -1.6636741711  0.00    0.0000000    0.0000000    0.0000000
H        4.1743285537    -0.1840535934    -1.2299484430  0.00    0.0000000    0.0000000    0.0000000
18
E =   135.000000000000
C       -2.1710730071    -0.0930496066    -0.0571547624  0.00    0.0000000    0.0000000    0.0000000
O       -1.1774266055     0.7925802702    -0.0293039230  0.00    0.0000000    0.0000000    0.0000000
O       -2.0061307846    -1.2701951362     0.1565562566  0.00    0.0000000    0.0000000    0.0000000
C       -3.4923003707     0.5390562525    -0.3815363044  0.00    0.0000000    0.0000000    0.0000000
H       -3.7159442472     1.3104306215     0.3539743476  0.00    0.0000000    0.0000000    0.0000000
H       -3.4322299788     1.0215696136    -1.3561554757  0.00    0.0000000    0.0000000    0.0000000
H       -4.2726821814    -0.2138568281    -0.3846457593  0.00    0.0000000    0.0000000    0.0000000
O        1.2561776712    -0.2358314725     0.4832809028  0.00    0.0000000    0.0000000    0.0000000
H       -0.3250342998     0.3370319386     0.1824156466  0.00    0.0000000    0.0000000    0.0000000
C        2.2801841695     0.2905639185    -0.3708201408  0.00    0.0000000    0.0000000    0.0000000
C        2.1932932663     0.6962330583     1.0321056158  0.00    0.0000000    0.0000000    0.0000000
H        1.7751838509     1.6609763064     1.2893507418  0.00    0.0000000    0.0000000    0.0000000
H        2.8798782889     0.2618323528     1.7476082916  0.00    0.0000000    0.0000000    0.0000000
H        1.8947723482     0.9875830935    -1.1075155307  0.00    0.0000000    0.0000000    0.0000000
C        3.2981137414    -0.6956630800    -0.8513334212  0.00    0.0000000    0.0000000    0.0000000
H        3.6059124134    -1.3489331641    -0.0360058274  0.00    0.0000000    0.0000000    0.0000000
H        2.8886358535    -1.3053174623    -1.6562010946  0.00    0.0000000    0.0000000    0.0000000
H        4.1738054609    -0.1703522952    -1.2319342158  0.00    0.0000000    0.0000000    0.0000000
18
E =   136.000000000000
C       -2.1706118477    -0.0930401097    -0.0563836276  0.00    0.0000000    0.0000000    0.0000000
O       -1.1726660977     0.7876479911    -0.0268551703  0.00    0.0000000    0.0000000    0.0000000
O       -2.0112589744    -1.2713875438     0.1549485870  0.00    0.0000000    0.0000000    0.0000000
C       -3.4886805356     0.5462578752    -0.3794570278  0.00    0.0000000    0.0000000    0.0000000
H       -3.7077663346     1.3182998954     0.3567266362  0.00    0.0000000    0.0000000    0.0000000
H       -3.4264819741     1.0291818301    -1.3537571614  0.00    0.0000000    0.0000000    0.0000000
H       -4.2730977937    -0.2024405388    -0.3828390755  0.00    0.0000000    0.0000000    0.0000000
O        1.2578934051    -0.2444803901     0.4843733466  0.00    0.0000000    0.0000000    0.0000000
H       -0.3224380851     0.3273515000     0.1838442408  0.00    0.0000000    0.0000000    0.0000000
C        2.2756553781     0.2877298186    -0.3737232558  0.00    0.0000000    0.0000000    0.0000000
C        2.1848500403     0.7017326274     1.0264939987  0.00    0.0000000    0.0000000    0.0000000
H        1.7558269022     1.6633422127     1.2775027172  0.00    0.0000000    0.0000000    0.0000000
H        2.8765577446     0.2799748278     1.7445948897  0.00    0.0000000    0.0000000    0.0000000
H        1.8819738982     0.9753971606    -1.1148470615  0.00    0.0000000    0.0000000    0.0000000
C        3.3045251521    -0.6899837824    -0.8482363772  0.00    0.0000000    0.0000000    0.0000000
H        3.6205872090    -1.3339435845    -0.0286925212  0.00    0.0000000    0.0000000    0.0000000
H        2.9015700291    -1.3099204603    -1.6485366459  0.00    0.0000000    0.0000000    0.0000000
H        4.1737150645    -0.1571371296    -1.2332045812  0.00    0.0000000    0.0000000    0.0000000
18
E =   137.000000000000
C       -2.1704147014    -0.0930757618    -0.0556779507  0.00    0.0000000    0.0000000    0.0000000
O       -1.1682469037     0.7826745725    -0.0242734359  0.00    0.0000000    0.0000000    0.0000000
O       -2.0165705305    -1.2726617838     0.1527794585  0.00    0.0000000    0.0000000    0.0000000
C       -3.4853527073     0.5534333282    -0.3769335930  0.00    0.0000000    0.0000000    0.0000000
H       -3.7000496857     1.3253709660     0.3606158968  0.00    0.0000000    0.0000000    0.0000000
H       -3.4210581779     1.0376556518    -1.3504640832  0.00    0.0000000    0.0000000    0.0000000
H       -4.2736437767    -0.1911544278    -0.3812502133  0.00    0.0000000    0.0000000    0.0000000
O        1.2598950969    -0.2526415239     0.4854485539  0.00    0.0000000    0.0000000    0.0000000
H       -0.3201850817     0.3176815552     0.1851288348  0.00    0.0000000    0.0000000    0.0000000
C        2.2716032824     0.2847372601    -0.3766742094  0.00    0.0000000    0.0000000    0.0000000
C        2.1766122670     0.7073916492     1.0206305156  0.00    0.0000000    0.0000000    0.0000000
H        1.7369458127     1.6658263677     1.2650442818  0.00    0.0000000    0.0000000    0.0000000
H        2.8730151813     0.2984676469     1.7414914902  0.00    0.0000000    0.0000000    0.0000000
H        1.8701622314     0.9627665603    -1.1224107620  0.00    0.0000000    0.0000000    0.0000000
C        3.3111068432    -0.6846295733    -0.8447960827  0.00    0.0000000    0.0000000    0.0000000
H        3.6349064713    -1.3190349428    -0.0209144392  0.00    0.0000000    0.0000000    0.0000000
H        2.9148597040    -1.3147240626    -1.6404064308  0.00    0.0000000    0.0000000    0.0000000
H        4.1739004285    -0.1446870827    -1.2340993730  0.00    0.0000000    0.0000000    0.0000000
18
E =   138.000000000000
C       -2.1704001687    -0.0931472889    -0.0549591861  0.00    0.0000000    0.0000000    0.0000000
O       -1.1640789279     0.7777763910    -0.0219398232  0.00    0.0000000    0.0000000    0.0000000
O       -2.0218866001    -1.2739921825     0.1504262417  0.00    0.0000000    0.0000000    0.0000000
C       -3.4823965653     0.5605784235    -0.3737587205  0.00    0.0000000    0.0000000    0.0000000
H       -3.6928625191     1.3314943629     0.3661161992  0.00    0.0000000    0.0000000    0.0000000
H       -3.4161904002     1.0472705496    -1.3459324122  0.00    0.0000000    0.0000000    0.0000000
H       -4.2743619998    -0.1801160184    -0.3797893366  0.00    0.0000000    0.0000000    0.0000000
O        1.2617399729    -0.2604011031     0.4858449089  0.00    0.0000000    0.0000000    0.0000000
H       -0.3180317429     0.3081875195     0.1858987811  0.00    0.0000000    0.0000000    0.0000000
C        2.2681342302     0.2817520227    -0.3796373847  0.00    0.0000000    0.0000000    0.0000000
C        2.1682828605     0.7129773977     1.0147035534  0.00    0.0000000    0.0000000    0.0000000
H        1.7182786331     1.6683943343     1.2523746269  0.00    0.0000000    0.0000000    0.0000000
H        2.8687416803     0.3164863459     1.7386260974  0.00    0.0000000    0.0000000    0.0000000
H        1.8596781477     0.9503676627    -1.1301482534  0.00    0.0000000    0.0000000    0.0000000
C        3.3182129576    -0.6795960936    -0.8408133844  0.00    0.0000000    0.0000000    0.0000000
H        3.6491013867    -1.3044780957    -0.0124091664  0.00    0.0000000    0.0000000    0.0000000
H        2.9289551315    -1.3197664613    -1.6318898219  0.00    0.0000000    0.0000000    0.0000000
H        4.1750000720    -0.1328893419    -1.2340112647  0.00    0.0000000    0.0000000    0.0000000
18
E =   139.000000000000
C       -2.1707726172    -0.0932580835    -0.0542729300  0.00    0.0000000    0.0000000    0.0000000
O       -1.1604260752     0.7729075877    -0.0203155508  0.00    0.0000000    0.0000000    0.0000000
O       -2.0273403264    -1.2752670095     0.1479349429  0.00    0.0000000    0.0000000    0.0000000
C       -3.4800693689     0.5675171333    -0.3695372662  0.00    0.0000000    0.0000000    0.0000000
H       -3.6866386105     1.3359790779     0.3740264833  0.00    0.0000000    0.0000000    0.0000000
H       -3.4122564756     1.0584093877    -1.3394965468  0.00    0.0000000    0.0000000    0.0000000
H       -4.2753366696    -0.1695900233    -0.3783890930  0.00    0.0000000    0.0000000    0.0000000
O        1.2635640892    -0.2673835677     0.4852752725  0.00    0.0000000    0.0000000    0.0000000
H       -0.3162514017     0.2990038758     0.1855630460  0.00    0.0000000    0.0000000    0.0000000
C        2.2657893541     0.2788701426    -0.3825203102  0.00    0.0000000    0.0000000    0.0000000
C        2.1600271232     0.7182423978     1.0088217142  0.00    0.0000000    0.0000000    0.0000000
H        1.7003252779     1.6707558431     1.2396257152  0.00    0.0000000    0.0000000    0.0000000
H        2.8633650689     0.3334864830     1.7362354274  0.00    0.0000000    0.0000000    0.0000000
H        1.8517337887     0.9384602157    -1.1379095720  0.00    0.0000000    0.0000000    0.0000000
C        3.3259419223    -0.6750126214    -0.8360787494  0.00    0.0000000    0.0000000    0.0000000
H        3.6622874457    -1.2908701859    -0.0031525721  0.00    0.0000000    0.0000000    0.0000000
H        2.9440882866    -1.3244011572    -1.6232365736  0.00    0.0000000    0.0000000    0.0000000
H        4.1775486076    -0.1223038994    -1.2320835167  0.00    0.0000000    0.0000000    0.0000000
18
E =   140.000000000000
C       -2.1713660617    -0.0932971881    -0.0536764669  0.00    0.0000000    0.0000000    0.0000000
O       -1.1574729317     0.7686495341    -0.0191230859  0.00    0.0000000    0.0000000    0.0000000
O       -2.0322540377    -1.2764436032     0.1449023452  0.00    0.0000000    0.0000000    0.0000000
C       -3.4785365631     0.5738221130    -0.3642757247  0.00    0.0000000    0.0000000    0.0000000
H       -3.6817099075     1.3385961494     0.3840795580  0.00    0.0000000    0.0000000    0.0000000
H       -3.4097768862     1.0702589215    -1.3313547353  0.00    0.0000000    0.0000000    0.0000000
H       -4.2764408207    -0.1603472897    -0.3766553599  0.00    0.0000000    0.0000000    0.0000000
O        1.2651820297    -0.2734783141     0.4839533415  0.00    0.0000000    0.0000000    0.0000000
H       -0.3148413415     0.2908517310     0.1843075547  0.00    0.0000000    0.0000000    0.0000000
C        2.2644264616     0.2760047648    -0.3853109254  0.00    0.0000000    0.0000000    0.0000000
C        2.1520608338     0.7232404901     1.0029906945  0.00    0.0000000    0.0000000    0.0000000
H        1.6834521801     1.6731255520     1.2267747373  0.00    0.0000000    0.0000000    0.0000000
H        2.8572376617     0.3493880904     1.7342619785  0.00    0.0000000    0.0000000    0.0000000
H        1.8461461666     0.9270970898    -1.1456969887  0.00    0.0000000    0.0000000    0.0000000
C        3.3339331004    -0.6713017369    -0.8306525797  0.00    0.0000000    0.0000000    0.0000000
H        3.6742062251    -1.2786682923     0.0068649729  0.00    0.0000000    0.0000000    0.0000000
H        2.9595208910    -1.3291722140    -1.6143317928  0.00    0.0000000    0.0000000    0.0000000
H        4.1812600579    -0.1134873798    -1.2286015793  0.00    0.0000000    0.0000000    0.0000000
18
E =   141.000000000000
C       -2.1719949243    -0.0933078851    -0.0532371245  0.00    0.0000000    0.0000000    0.0000000
O       -1.1552054601     0.7651701529    -0.0180362617  0.00    0.0000000    0.0000000    0.0000000
O       -2.0362648721    -1.2775705051     0.1410292982  0.00    0.0000000    0.0000000    0.0000000
C       -3.4776826641     0.5792752672    -0.3582723806  0.00    0.0000000    0.0000000    0.0000000
H       -3.6778940755     1.3395663252     0.3954896575  0.00    0.0000000    0.0000000    0.0000000
H       -3.4086918246     1.0820398407    -1.3220758481  0.00    0.0000000    0.0000000    0.0000000
H       -4.2775951477    -0.1526235314    -0.3744550132  0.00    0.0000000    0.0000000    0.0000000
O        1.2665276805    -0.2784159455     0.4823738007  0.00    0.0000000    0.0000000    0.0000000
H       -0.3137700112     0.2840495361     0.1826319920  0.00    0.0000000    0.0000000    0.0000000
C        2.2637353823     0.2731590464    -0.3879402016  0.00    0.0000000    0.0000000    0.0000000
C        2.1447828149     0.7280976890     0.9972852598  0.00    0.0000000    0.0000000    0.0000000
H        1.6684132463     1.6757784214     1.2140415472  0.00    0.0000000    0.0000000    0.0000000
H        2.8509948709     0.3641438116     1.7325124858  0.00    0.0000000    0.0000000    0.0000000
H        1.8424092956     0.9163699055    -1.1533188001  0.00    0.0000000    0.0000000    0.0000000
C        3.3414758891    -0.6687460794    -0.8248613677  0.00    0.0000000    0.0000000    0.0000000
H        3.6843842763    -1.2682276637     0.0172348712  0.00    0.0000000    0.0000000    0.0000000
H        2.9740502623    -1.3343126542    -1.6053170427  0.00    0.0000000    0.0000000    0.0000000
H        4.1854647479    -0.1069227878    -1.2242592032  0.00    0.0000000    0.0000000    0.0000000
18
E =   142.000000000000
C       -2.1724837381    -0.0933854868    -0.0531344513  0.00    0.0000000    0.0000000    0.0000000
O       -1.1535181059     0.7624134555    -0.0161941592  0.00    0.0000000    0.0000000    0.0000000
O       -2.0392398715    -1.2787436750     0.1357842698  0.00    0.0000000    0.0000000    0.0000000
C       -3.4771130650     0.5837352713    -0.3523226655  0.00    0.0000000    0.0000000    0.0000000
H       -3.6754468462     1.3383717062     0.4075090823  0.00    0.0000000    0.0000000    0.0000000
H       -3.4078562361     1.0939338975    -1.3120568727  0.00    0.0000000    0.0000000    0.0000000
H       -4.2784072699    -0.1465046210    -0.3734322126  0.00    0.0000000    0.0000000    0.0000000
O        1.2678545178    -0.2819658557     0.4818289467  0.00    0.0000000    0.0000000    0.0000000
H       -0.3130101076     0.2786003171     0.1817884357  0.00    0.0000000    0.0000000    0.0000000
C        2.2630190792     0.2702348663    -0.3904444270  0.00    0.0000000    0.0000000    0.0000000
C        2.1389941522     0.7332989667     0.9915994571  0.00    0.0000000    0.0000000    0.0000000
H        1.6562519144     1.6792541432     1.2013935201  0.00    0.0000000    0.0000000    0.0000000
H        2.8462161331     0.3785920687     1.7303160761  0.00    0.0000000    0.0000000    0.0000000
H        1.8390130144     0.9057833399    -1.1607129744  0.00    0.0000000    0.0000000    0.0000000
C        3.3473748587    -0.6675726664    -0.8193568847  0.00    0.0000000    0.0000000    0.0000000
H        3.6926279235    -1.2592807283     0.0272725781  0.00    0.0000000    0.0000000    0.0000000
H        2.9856107424    -1.3405379439    -1.5960257340  0.00    0.0000000    0.0000000    0.0000000
H        4.1884027212    -0.1029594018    -1.2210222934  0.00    0.0000000    0.0000000    0.0000000
