  34  
assoc8.out          
N       8.44674031     1.66894061    -1.77744552
C       9.08231320     0.37051424    -1.42058592
C       8.25097343    -0.35011447    -0.36012917
O       8.08297240    -1.55648745    -0.36803148
H       7.49392801     1.50949510    -2.13500936
H       9.02014904     2.15966845    -2.47380843
H       9.19776884    -0.33631900    -2.28657674
H      10.09671264     0.58347789    -0.98277547
N       7.75220242     0.44741233     0.68516753
C       6.72058586    -0.11521311     1.56441631
C       5.30301831     0.12611573     1.07653185
O       4.29179100    -0.24795428     1.65820099
O       5.22941348     0.81610262    -0.07305649
H       7.74508480     1.46650129     0.57044301
H       6.86690085    -1.24079258     1.63436088
H       6.82195246     0.33433440     2.59170185
H       4.24493681     0.96768461    -0.40425545
N      -1.52819198    -1.44307856     1.92027526
C      -2.01928394    -1.69173464     0.53753965
C      -1.14117309    -0.95737331    -0.47564018
O      -0.85306849    -1.43662354    -1.55814014
H      -0.58088964    -1.83013727     2.03445281
H      -2.17511910    -1.85680415     2.60218536
H      -2.02800428    -2.77597357     0.24218882
H      -3.06258987    -1.27961885     0.45007833
N      -0.75754405     0.35004047    -0.13306369
C       0.27164718     1.01615500    -0.93972074
C       1.68454112     0.81591990    -0.42211466
O       2.69244049     1.25969212    -0.95945620
O       1.75656437     0.10825544     0.71619384
H      -0.83810888     0.65133910     0.84390264
H       0.23744847     0.60319928    -1.99892636
H       0.06157777     2.12220032    -0.96847431
H       2.73862816    -0.02923638     1.05900654
  34  
assoc9.out          
N       6.43629081    -1.84140836    -0.37556497
C       7.08699901    -1.55228068     0.93558093
C       6.54544169    -0.23205580     1.47688391
O       6.09072027    -0.12808847     2.60703184
H       5.42999431    -1.61404062    -0.32985662
H       6.57856221    -2.82583810    -0.62779931
H       6.90900074    -2.33692486     1.71823329
H       8.19314221    -1.46080600     0.75340295
N       6.60653212     0.86627935     0.60659767
C       5.70938836     2.00462816     0.86714004
C       4.32624001     1.77403197     0.27289048
O       3.27699973     2.24109691     0.67627156
O       4.37701167     0.96708751    -0.80725899
H       6.81182727     0.69141448    -0.38704249
H       5.59302721     2.14334622     1.98515170
H       6.14881504     2.93571490     0.41646308
H       3.44977878     0.70954294    -1.17132679
N       3.42883482    -1.12501911     1.47883187
C       2.15021905    -0.47755508     1.88328317
C       1.21846784    -0.58284107     0.67644975
O       0.66428358    -1.61065815     0.33144747
H       3.29477998    -2.14383480     1.41768228
H       4.16476635    -0.89067200     2.16881678
H       1.63712509    -0.97609215     2.74837296
H       2.36132651     0.59481463     2.15329277
N       0.98133014     0.62158263    -0.00565263
C       0.19240726     0.60982971    -1.23952306
C       1.09940285     0.51049700    -2.45150965
O       2.31153467     0.52883477    -2.52221258
O       0.35580232     0.40127422    -3.59104006
H       1.54852710     1.46366676     0.18480384
H      -0.50014429    -0.29099686    -1.23841568
H      -0.42184846     1.54915603    -1.31471829
H       0.91480036     0.31982084    -4.41549036
