   36
(NCN)SbCl2
Sb    -0.000472     0.380349    -0.000110
 N     0.467238    -0.301175     2.320356
 C     0.000185    -1.733927    -0.000725
 C    -0.070315    -2.411294     1.206783
 C    -0.061627    -3.800179     1.204698
 H    -0.109702    -4.347765     2.140173
 C     0.000896    -4.486269    -0.001617
 H     0.001176    -5.570158    -0.001966
 C    -0.217533    -1.595468     2.457960
 H    -1.278293    -1.388012     2.620129
 H     0.162063    -2.130493     3.336463
 C    -0.058144     0.682569     3.265860
 H    -1.120111     0.834101     3.075743
 H     0.469144     1.627514     3.132230
 H     0.084969     0.343243     4.297811
 C     1.908743    -0.472365     2.512393
 H     2.111486    -0.804744     3.537024
 H     2.420172     0.471336     2.330064
 H     2.288879    -1.211069     1.808871
 N    -0.467505    -0.299876    -2.320699
 C     0.071070    -2.410481    -1.208653
 C     0.063088    -3.799370    -1.207486
 H     0.111463    -4.346320    -2.143318
 C     0.217943    -1.593703    -2.459241
 H     1.278607    -1.385574    -2.621181
 H    -0.161304    -2.128294    -3.338159
 C     0.057609     0.684942    -3.265224
 H     1.119454     0.836846    -3.074720
 H    -0.470183     1.629507    -3.130906
 H    -0.085084     0.346438    -4.297506
 C    -1.908871    -0.471625    -2.513234
 H    -2.111208    -0.803211    -3.538206
 H    -2.420812     0.471665    -2.330211
 H    -2.288811    -1.211131    -1.810450
Cl     2.505788     0.265715    -0.717782
Cl    -2.506579     0.263532     0.717966

69
Compound 3 
Sb    -1.297997    -1.432991     0.109618
 O     4.247020     1.297070    -0.157386
 N    -1.936472    -1.073242    -2.264045
 C    -2.579795     0.249884     0.086229
 N    -1.485973    -0.682332     2.443636
 C    -3.351319     0.499832    -1.039427
 C    -4.174223     1.617968    -1.064906
 H    -4.774812     1.834519    -1.942169
 C    -3.466702     2.192326     1.171871
 H    -3.519641     2.853547     2.030451
 C    -4.227297     2.458275     0.040677
 H    -4.870310     3.330483     0.020363
 C    -2.631751     1.081825     1.195316
 C    -1.026245    -0.129036    -2.909515
 H    -0.008266    -0.513062    -2.868228
 H    -1.052359     0.824476    -2.384302
 H    -1.320523     0.026490    -3.954384
 C    -3.284116    -0.498512    -2.161148
 H    -3.978014    -1.319372    -1.952618
 H    -3.587093    -0.053053    -3.116377
 C    -1.946642    -2.343725    -2.982906
 H    -0.933596    -2.745563    -3.017849
 H    -2.308577    -2.214091    -4.009452
 H    -2.590382    -3.055661    -2.465312
 C    -1.727600     0.761906     2.351359
 H    -0.758691     1.244005     2.190513
 H    -2.133193     1.143052     3.296347
 C    -0.270473    -0.971437     3.198454
 H    -0.341281    -0.583890     4.221176
 H     0.582417    -0.518894     2.692513
 H    -0.121137    -2.050796     3.242779
 C    -2.640038    -1.370088     3.018454
 H    -2.467024    -2.446478     3.004838
 H    -3.530694    -1.148074     2.429423
 H    -2.810590    -1.048235     4.052171
 C     0.529545    -0.468706    -0.061153
 C     0.664640     0.921917    -0.138244
 H    -0.235463     1.524256    -0.177966
 C     1.889721     1.547217    -0.172533
 C     3.108765     0.753010    -0.128305
 C     2.957571    -0.690855    -0.050178
 C     1.695689    -1.244048    -0.018717
 H     1.594287    -2.323008     0.045951
 C     1.983553     3.068183    -0.257922
 C     2.719263     3.473303    -1.540729
 H     3.711548     3.025588    -1.565745
 H     2.816018     4.562735    -1.593268
 H     2.160144     3.141248    -2.420600
 C     2.734621     3.614007     0.962058
 H     3.727173     3.170697     1.022796
 H     2.187513     3.381956     1.880875
 H     2.830175     4.702502     0.891755
 C     0.610384     3.735865    -0.286898
 H     0.029869     3.521934     0.615184
 H     0.020006     3.424932    -1.153379
 H     0.741062     4.819696    -0.346925
 C     4.202191    -1.573637    -0.001182
 C     5.042508    -1.360612    -1.265692
 H     5.952255    -1.968481    -1.222719
 H     5.317651    -0.311781    -1.362595
 H     4.477429    -1.660736    -2.153182
 C     5.038158    -1.229640     1.237384
 H     5.947044    -1.839817     1.261595
 H     4.469358    -1.435266     2.149152
 H     5.315738    -0.176909     1.226596
 C     3.861499    -3.059804     0.076592
 H     4.788952    -3.638057     0.106317
 H     3.289644    -3.395305    -0.793095
 H     3.290722    -3.303098     0.977191

  106
(NCN)Sb(OAryl)2
Sb     0.000065     0.210530    -0.000036
 O    -2.148847     0.137480     0.665534
 N     0.407373    -0.459929     2.339565
 C     0.000087    -1.903416    -0.000128
 C    -0.042090    -2.586344     1.206412
 C    -0.025302    -3.974298     1.205672
 H    -0.048469    -4.520370     2.142927
 C     0.000142    -4.661493    -0.000293
 H     0.000162    -5.745368    -0.000358
 C    -0.202307    -1.789100     2.464464
 H    -1.269677    -1.647075     2.648325
 H     0.217190    -2.314585     3.330887
 C    -0.187803     0.472732     3.294214
 H    -1.249953     0.579635     3.079016
 H     0.296820     1.444755     3.202576
 H    -0.054305     0.111311     4.320391
 C     1.854774    -0.548224     2.546387
 H     2.068016    -0.882128     3.568525
 H     2.317418     0.424450     2.382097
 H     2.284829    -1.256134     1.840740
 C    -3.295690     0.520561     0.117472
 C    -4.363556    -0.428138     0.005409
 C    -5.427519    -0.145380    -0.838690
 H    -6.209867    -0.880651    -0.973712
 C    -5.524836     1.058754    -1.516288
 H    -6.342755     1.246262    -2.202433
 C    -4.608707     2.047224    -1.222479
 H    -4.746321     3.023361    -1.669593
 C    -3.531342     1.844054    -0.359888
 C    -4.376329    -1.730324     0.810712
 C    -4.075305    -1.422696     2.281885
 H    -3.147453    -0.863892     2.381924
 H    -3.998619    -2.351918     2.854570
 H    -4.881725    -0.824573     2.715195
 C    -5.745832    -2.411145     0.783822
 H    -5.721131    -3.273787     1.455020
 H    -6.006590    -2.781600    -0.210372
 H    -6.541156    -1.743037     1.123552
 C    -2.707845     3.086531     0.018341
 C    -1.646231     3.386657    -1.040624
 H    -2.110943     3.526149    -2.020163
 H    -0.917134     2.580568    -1.123140
 H    -1.094984     4.297608    -0.789329
 C    -3.621253     4.319949     0.105415
 H    -4.468084     4.138027     0.771419
 H    -4.009746     4.633325    -0.864191
 H    -3.046360     5.159245     0.505199
 N    -0.407201    -0.459633    -2.339607
 C     0.042303    -2.586200    -1.206747
 C     0.025564    -3.974152    -1.206176
 H     0.048754    -4.520111    -2.143497
 C     0.202499    -1.788780    -2.464691
 H     1.269867    -1.646706    -2.648538
 H    -0.216991    -2.314152    -3.331184
 C     0.187905     0.473137    -3.294195
 H     1.250062     0.580054    -3.079043
 H    -0.296743     1.445136    -3.202448
 H     0.054363     0.111804    -4.320398
 C    -1.854614    -0.547919    -2.546363
 H    -2.067907    -0.881668    -3.568541
 H    -2.317254     0.424726    -2.381893
 H    -2.284622    -1.255938    -1.840797
 O     2.148845     0.137603    -0.665685
 C     3.295599     0.520703    -0.117441
 C     4.363470    -0.427962    -0.005245
 C     5.427238    -0.145231     0.839106
 H     6.209575    -0.880492     0.974258
 C     5.524361     1.058863     1.516810
 H     6.342114     1.246347     2.203160
 C     4.608268     2.047327     1.222862
 H     4.745746     3.023438     1.670077
 C     3.531094     1.844175     0.360025
 C     4.376428    -1.730094    -0.810632
 C     4.075683    -1.422375    -2.281844
 H     3.147796    -0.863657    -2.382038
 H     3.999208    -2.351560    -2.854617
 H     4.882134    -0.824138    -2.714939
 C     5.745949    -2.410871    -0.783507
 H     5.721414    -3.273471    -1.454764
 H     6.006520    -2.781379     0.210715
 H     6.541316    -1.742711    -1.123032
 C     2.707628     3.086644    -0.018310
 C     1.645962     3.386845     1.040583
 H     2.110591     3.526244     2.020174
 H     0.916765     2.580835     1.122980
 H     1.094846     4.297874     0.789274
 C     3.621083     4.320026    -0.105439
 H     4.467962     4.138008    -0.771355
 H     4.009507     4.633484     0.864168
 H     3.046247     5.159298    -0.505354
 C    -2.066233     2.966280     1.399596
 H    -2.821222     2.730459     2.154342
 H    -1.309480     2.192262     1.441623
 H    -1.597634     3.916254     1.668917
 C    -3.368445    -2.731804     0.252756
 H    -3.633291    -3.005765    -0.772605
 H    -2.364965    -2.320212     0.251233
 H    -3.364926    -3.646689     0.853200
 C     3.368449    -2.731638    -0.252960
 H     3.633088    -3.005679     0.772433
 H     2.364956    -2.320069    -0.251607
 H     3.365070    -3.646473    -0.853480
 C     2.066038     2.966331    -1.399567
 H     2.821028     2.730471    -2.154301
 H     1.309278     2.192318    -1.441549
 H     1.597448     3.916296    -1.668935

  106
Int1
Sb    -0.473623     0.322447     0.187074
 O    -2.262621     0.252127    -0.819263
 N    -1.288097    -0.583600     2.409715
 C    -0.108627    -1.752324     0.171902
 C    -0.124469    -2.467841     1.360313
 C     0.126724    -3.832105     1.327321
 H     0.112356    -4.412727     2.243357
 C     0.406565    -4.452079     0.115089
 H     0.612085    -5.515844     0.094351
 C    -0.369118    -1.711145     2.633321
 H    -0.763765    -2.367682     3.417948
 H     0.578532    -1.306149     2.998363
 C    -1.182198     0.404118     3.482358
 H    -0.179966     0.830541     3.510499
 H    -1.397364    -0.053936     4.454632
 H    -1.900698     1.203745     3.307035
 C    -2.663395    -1.081336     2.341552
 H    -3.350227    -0.257192     2.159007
 H    -2.930887    -1.569324     3.286767
 H    -2.752788    -1.803466     1.533922
 C    -3.471352     0.559374    -0.297366
 C    -4.500541    -0.416172    -0.393731
 C    -5.625441    -0.251050     0.400959
 H    -6.406238    -0.998942     0.384646
 C    -5.771017     0.847082     1.234772
 H    -6.628004     0.928754     1.892914
 C    -4.856330     1.874711     1.146719
 H    -5.031421     2.775738     1.721136
 C    -3.731898     1.803715     0.320100
 N     0.340923    -0.117341    -1.999495
 C     0.155712    -2.366277    -1.042662
 C     0.426015    -3.727645    -1.069328
 H     0.641551    -4.225059    -2.008712
 C     0.039200    -1.530874    -2.281662
 H     0.696948    -1.893513    -3.078991
 H    -0.989104    -1.583413    -2.650584
 C    -0.199565     0.743354    -3.053661
 H    -1.284885     0.674621    -3.062520
 H     0.200649     0.439222    -4.026171
 H     0.093016     1.775047    -2.864328
 C     1.791924     0.074110    -1.888001
 H     2.007712     1.107506    -1.627021
 H     2.279269    -0.169582    -2.836805
 H     2.197468    -0.562037    -1.102016
 C     2.307425     0.502415     1.665419
 C     2.986280    -0.686415     1.401592
 C     4.069569    -0.742145     0.548554
 C     4.548653     0.474438    -0.087200
 C     3.862290     1.713828     0.242172
 C     2.776529     1.686060     1.091184
 C    -4.414941    -1.597919    -1.366381
 C    -5.761451    -2.308986    -1.506227
 H    -6.554392    -1.623725    -1.815165
 H    -5.670763    -3.084444    -2.270671
 H    -6.068627    -2.800042    -0.580126
 C    -4.043840    -1.082954    -2.761918
 H    -3.083129    -0.572786    -2.756084
 H    -3.991024    -1.918650    -3.465133
 H    -4.800322    -0.382225    -3.124385
 C    -3.400408    -2.645637    -0.908631
 H    -3.720088    -3.108788     0.028568
 H    -3.319381    -3.439136    -1.657323
 H    -2.413922    -2.216363    -0.760905
 C    -2.956062     3.117075     0.096159
 C    -2.133393     3.509848     1.325222
 H    -1.328140     2.798364     1.520215
 H    -1.673963     4.490599     1.173109
 H    -2.761427     3.564892     2.217506
 C    -2.059298     3.117071    -1.143052
 H    -1.787134     4.148228    -1.380703
 H    -1.124370     2.579166    -0.997305
 H    -2.568721     2.689409    -2.007818
 C    -3.986161     4.232416    -0.159655
 H    -4.620608     3.984744    -1.013950
 H    -4.630905     4.419607     0.698372
 H    -3.460197     5.163905    -0.382029
 H     1.545355     0.543956     2.434129
 O     5.516817     0.454842    -0.901169
 H     2.261518     2.607914     1.336979
 H     2.639407    -1.594736     1.879496
 C     4.760460    -2.070399     0.249260
 C     4.353930     3.028689    -0.359824
 C     6.240240    -1.992327     0.640555
 H     6.745412    -2.933514     0.399526
 H     6.728784    -1.177207     0.109336
 H     6.339888    -1.821720     1.716600
 C     4.638001    -2.398006    -1.244271
 H     5.035681    -1.581679    -1.845783
 H     5.189393    -3.315151    -1.476464
 H     3.590006    -2.562168    -1.513087
 C     4.141209    -3.233603     1.019934
 H     4.217058    -3.093482     2.101925
 H     3.088167    -3.378802     0.765519
 H     4.674037    -4.154453     0.766687
 C     5.808897     3.275558     0.056102
 H     6.440720     2.454917    -0.280162
 H     6.173486     4.211215    -0.380481
 H     5.885279     3.357283     1.144268
 C     4.264157     2.983612    -1.889862
 H     4.698205     3.892037    -2.320219
 H     4.799202     2.115968    -2.272665
 H     3.220233     2.931412    -2.213728
 C     3.532754     4.226836     0.109748
 H     2.481472     4.141957    -0.180599
 H     3.578471     4.354869     1.194606
 H     3.930329     5.135965    -0.349587

  106
INT2
Sb    -0.532688    -1.432049     0.575835
 O    -2.260764     4.015518     0.445411
 N    -0.344857    -2.832229    -1.417371
 C    -2.527917    -2.006877     0.115216
 N    -1.951590    -0.544048     2.368631
 C    -2.737066    -2.986573    -0.844301
 C    -4.035197    -3.330964    -1.198613
 H    -4.213180    -4.086273    -1.956719
 C    -4.892032    -1.768144     0.430205
 H    -5.736719    -1.309886     0.933790
 C    -5.105934    -2.713173    -0.565078
 H    -6.119227    -2.980354    -0.841181
 C    -3.594747    -1.407172     0.771451
 C    -0.319793    -2.087056    -2.677435
 H     0.550274    -1.432932    -2.698445
 H    -1.231849    -1.500116    -2.783650
 H    -0.251472    -2.782560    -3.521163
 C    -1.530820    -3.706741    -1.374756
 H    -1.301926    -4.537424    -0.700887
 H    -1.715229    -4.138549    -2.364066
 C     0.893569    -3.607091    -1.276306
 H     1.730897    -2.910956    -1.226386
 H     1.016686    -4.295405    -2.119158
 H     0.857649    -4.181511    -0.350049
 C    -3.294951    -0.361397     1.805053
 H    -3.321758     0.625931     1.340071
 H    -4.044827    -0.367844     2.605658
 C    -1.480909     0.678062     3.019256
 H    -2.124640     0.937185     3.867277
 H    -1.481710     1.498197     2.306092
 H    -0.463756     0.529491     3.381519
 C    -1.943261    -1.653009     3.326341
 H    -0.928630    -1.813849     3.691317
 H    -2.296008    -2.564760     2.842790
 H    -2.596746    -1.427998     4.176137
 C    -0.581678     0.455426    -0.635134
 C    -1.909989     0.833535    -1.082677
 H    -2.452925     0.108300    -1.675043
 C    -2.475374     2.022943    -0.802600
 C    -1.717601     2.997259     0.020278
 C    -0.291885     2.718571     0.299757
 C     0.201796     1.503117    -0.000349
 H     1.239000     1.251620     0.177640
 C    -3.857192     2.400664    -1.325817
 C    -3.753929     3.691778    -2.146774
 H    -3.404775     4.522847    -1.536494
 H    -4.735784     3.947162    -2.554415
 H    -3.064223     3.559385    -2.984743
 C    -4.844850     2.601009    -0.169718
 H    -4.484341     3.348269     0.534228
 H    -5.015465     1.662099     0.363700
 H    -5.808965     2.929924    -0.567650
 C    -4.426901     1.315269    -2.235924
 H    -4.563016     0.367173    -1.708766
 H    -3.790975     1.139563    -3.107653
 H    -5.406657     1.634571    -2.598492
 C     0.581675     3.809551     0.908424
 C     0.523651     5.065748     0.031423
 H     1.175662     5.836346     0.451668
 H    -0.487899     5.463275    -0.030805
 H     0.875216     4.842541    -0.979662
 C     0.110041     4.141960     2.328938
 H     0.730627     4.941119     2.744292
 H     0.211528     3.270257     2.981100
 H    -0.928670     4.467937     2.335317
 C     2.041529     3.370897     0.991100
 H     2.636134     4.190072     1.402025
 H     2.450556     3.119700     0.009441
 H     2.175149     2.505651     1.643259
 O     2.278759    -0.787544    -0.447399
 C     5.415165     0.075630     1.184902
 C     6.101212     0.702444     0.157944
 C     5.504718     0.758980    -1.091506
 C     4.242152     0.238743    -1.339759
 C     3.486146    -0.360942    -0.263988
 C     4.147315    -0.464965     1.015681
 H     5.896382     0.006432     2.152845
 H     7.087997     1.120735     0.322438
 H     6.055379     1.223610    -1.900350
 C     3.466084    -1.153751     2.199595
 C     3.677462     0.286594    -2.760644
 C     3.390433    -1.140461    -3.238295
 H     2.745885    -1.649273    -2.525744
 H     2.905967    -1.130694    -4.220591
 H     4.322931    -1.705199    -3.325479
 C     4.643210     0.908020    -3.767905
 H     4.871221     1.950141    -3.529438
 H     5.584272     0.355650    -3.830203
 H     4.180660     0.889695    -4.758943
 C     4.382094    -1.301019     3.413979
 H     5.278550    -1.880685     3.179154
 H     4.693120    -0.335014     3.819214
 H     3.840098    -1.829241     4.203832
 C     2.264224    -0.321810     2.654235
 H     1.613367    -0.102558     1.810500
 H     1.689179    -0.854345     3.419825
 H     2.599895     0.626921     3.081726
 C     2.395971     1.120982    -2.799126
 H     1.948288     1.099283    -3.798423
 H     1.683812     0.735574    -2.076890
 H     2.609404     2.163386    -2.546083
 C     3.025449    -2.567923     1.809221
 H     2.481821    -3.040800     2.633992
 H     2.388883    -2.536173     0.929409
 H     3.901319    -3.183537     1.584318
 H     0.010617     0.003873    -1.435259
