59                                      
[Co(IPh)2]1+                                       
Co      1.675097    9.480319    4.667963
N       4.598514    9.959596    4.299894
N       3.541140   11.762877    4.751824
N      -0.175819    7.257826    5.213669
N      -1.222056    8.841746    4.238165
C       3.360470   10.429232    4.573994
C       0.001073    8.507056    4.722079
C       4.871890   12.114212    4.599261
H       5.243931   12.984523    4.679221
C       5.537027   10.976743    4.315246
H       6.470920   10.889593    4.154688
C       4.861451    8.568287    3.990291
C       4.733823    8.152273    2.671282
C       4.973508    6.811138    2.393023
H       4.872792    6.501179    1.500037
C       5.355331    5.910865    3.379722
C       5.470227    6.372415    4.675383
H       5.736184    5.766407    5.357276
C       5.209221    7.701186    5.015370
C       2.447034   12.632356    5.083175
C       1.683102   13.175112    4.055538
C       0.570932   13.934613    4.417274
H       0.028798   14.313769    3.735701
C       0.234195   14.151477    5.732125
C       1.021234   13.600161    6.726180
H       0.795754   13.757340    7.634518
C       2.134386   12.821993    6.429371
C      -1.478852    6.820174    5.029763
H      -1.836393    5.978041    5.286912
C      -2.134667    7.818179    4.420472
H      -3.049376    7.822102    4.164283
C       0.889555    6.490359    5.809846
C       1.202712    6.703300    7.151244
C       2.228361    5.934644    7.698486
H       2.467141    6.062456    8.610022
C       2.907801    4.990261    6.951026
C       2.585269    4.830347    5.619863
H       3.060934    4.192238    5.101406
C       1.578984    5.582239    5.016329
C      -1.520290   10.106313    3.606486
C      -2.139895   11.096827    4.360663
C      -2.490030   12.276622    3.701478
H      -2.925686   12.963122    4.193068
C      -2.229316   12.479695    2.372554
C      -1.574394   11.485495    1.662835
H      -1.376484   11.629120    0.745221
C      -1.197097   10.275144    2.259011
H      -2.530741   13.404479    1.882821
H      -0.675692    9.501634    1.697104
H      -2.343536   10.957981    5.421405
H       1.942993   13.013489    3.010427
H       2.739454   12.377252    7.218053
H      -0.639853   14.748890    5.987194
H       0.667460    7.440652    7.747682
H       1.341606    5.462143    3.960323
H       3.686800    4.381255    7.407307
H       5.558561    4.868804    3.137384
H       4.456113    8.851088    1.883592
H       5.276199    8.043947    6.046849

63
[Co(sIPh)2]1+
Co      1.700688    9.452506    4.594023
N      -1.189332    8.922126    4.263908
N      -0.099669    7.231158    5.058277
N       3.519080   11.714763    4.697719
N       4.602021    9.879005    4.307670
C       0.014276    8.502187    4.648249
C       3.391413   10.392449    4.522355
C      -2.226395    7.866016    4.301327
H      -2.523382    7.618776    3.389943
H      -3.010831    8.151899    4.832810
C      -1.486303    6.708769    4.979316
H      -1.852647    6.523905    5.879284
H      -1.530228    5.883441    4.433247
C      -1.462184   10.179319    3.624290
C      -2.160476   11.156116    4.336210
C      -2.531070   12.310740    3.661075
H      -3.014575   12.981020    4.128818
C      -2.220903   12.520650    2.336175
C      -1.485962   11.548624    1.663577
H      -1.248622   11.694129    0.754730
C      -1.091439   10.372532    2.287657
C       0.970546    6.480372    5.651914
C       1.305260    6.710796    6.981253
C       2.307299    5.927570    7.546984
H       2.552145    6.070690    8.454246
C       2.960565    4.938846    6.811281
C       2.615404    4.764836    5.491454
H       3.065419    4.100399    4.981853
C       1.633807    5.525044    4.880377
C       4.910071   12.184317    4.658080
H       5.200394   12.521842    5.543144
H       5.031144   12.895148    3.979774
C       5.671638   10.904820    4.268665
H       6.063048   10.980913    3.364574
H       6.390946   10.701828    4.918430
C       2.395550   12.548797    5.009759
C       2.029303   12.706348    6.352100
C       0.913589   13.495061    6.633380
H       0.649611   13.616713    7.537788
C       0.181075   14.103800    5.629081
C       0.561241   13.908918    4.315280
H       0.051413   14.312040    3.624607
C       1.672409   13.136425    3.972798
C       4.841530    8.505884    3.967724
C       4.661727    8.091073    2.641872
C       4.919810    6.762320    2.332370
H       4.796340    6.465464    1.439695
C       5.351624    5.854698    3.292272
C       5.512184    6.304215    4.595609
H       5.811940    5.694999    5.260913
C       5.248279    7.621758    4.955850
H      -2.543403   13.426999    1.825836
H      -2.406613   11.016640    5.387820
H      -0.510613    9.622227    1.753235
H      -0.679869   14.725493    5.870316
H       1.963944   12.997777    2.932747
H       2.596539   12.229086    7.149838
H       5.358342    7.950750    5.988114
H       4.329207    8.790384    1.876160
H       5.558481    4.818485    3.028845
H       3.727461    4.318020    7.272112
H       1.386395    5.382236    3.829513
H       0.799124    7.480374    7.562199

115
[Co(IAd)2]1+
Co      3.513225    3.513225    4.566075
N       2.531349    3.066343    1.791728
C       3.513225    3.513225    2.623301
C       2.898973    3.238912    0.464644
H       2.380561    3.012942   -0.299535
C       1.199556    2.601332    2.255276
C       0.276842    3.830821    2.399929
H       0.195335    4.291756    1.526895
H       0.668918    4.467417    3.050138
C      -1.121421    3.385344    2.887586
H      -1.713049    4.186359    2.977081
C      -1.710238    2.448015    1.895834
H      -1.822661    2.913166    1.030107
H      -2.604002    2.158525    2.206327
C      -0.838958    1.256329    1.711365
H      -1.247898    0.639407    1.039239
C       0.564927    1.670890    1.245625
H       1.128448    0.865659    1.136039
H       0.501689    2.124798    0.368939
C      -0.975271    2.723452    4.224533
H      -0.569142    3.362859    4.861957
H      -1.870441    2.477526    4.567901
C      -0.120855    1.496634    4.142343
H      -0.057617    1.046941    5.033641
C       1.294272    1.933679    3.636422
H       1.694780    2.567465    4.281152
H       1.883089    1.139690    3.577976
C      -0.692808    0.524173    3.070229
H      -0.087128   -0.251547    2.966122
H      -1.578141    0.188309    3.362458
N       4.495101    3.960107    1.791728
C       4.127477    3.787538    0.464644
H       4.645889    4.013508   -0.299535
C       5.826894    4.425118    2.255276
C       6.749608    3.195629    2.399929
H       6.831115    2.734694    1.526895
H       6.357532    2.559033    3.050138
C       8.147871    3.641106    2.887586
H       8.739499    2.840091    2.977081
C       8.736688    4.578435    1.895834
H       8.849111    4.113284    1.030107
H       9.630452    4.867925    2.206327
C       7.865408    5.770121    1.711365
H       8.274348    6.387043    1.039239
C       6.461523    5.355560    1.245625
H       5.898002    6.160791    1.136039
H       6.524761    4.901652    0.368939
C       8.001721    4.302998    4.224533
H       7.595592    3.663591    4.861957
H       8.896891    4.548924    4.567901
C       7.147305    5.529816    4.142343
H       7.084067    5.979509    5.033641
C       5.732178    5.092771    3.636422
H       5.331670    4.458985    4.281152
H       5.143361    5.886760    3.577976
C       7.719258    6.502277    3.070229
H       7.113578    7.277997    2.966122
H       8.604591    6.838141    3.362458
N       3.066343    4.495101    7.340422
C       3.513225    3.513225    6.508849
C       3.238912    4.127477    8.667506
H       3.012942    4.645889    9.431685
C       2.601332    5.826894    6.876874
C       3.830821    6.749608    6.732221
H       4.291756    6.831115    7.605255
H       4.467417    6.357532    6.082012
C       3.385344    8.147871    6.244564
H       4.186359    8.739499    6.155069
C       2.448015    8.736688    7.236316
H       2.913166    8.849111    8.102043
H       2.158525    9.630452    6.925823
C       1.256329    7.865408    7.420785
H       0.639407    8.274348    8.092911
C       1.670890    6.461523    7.886525
H       0.865659    5.898002    7.996111
H       2.124798    6.524761    8.763211
C       2.723452    8.001721    4.907617
H       3.362859    7.595592    4.270193
H       2.477526    8.896891    4.564249
C       1.496634    7.147305    4.989807
H       1.046941    7.084067    4.098509
C       1.933679    5.732178    5.495728
H       2.567465    5.331670    4.850998
H       1.139690    5.143361    5.554174
C       0.524173    7.719258    6.061921
H      -0.251547    7.113578    6.166028
H       0.188309    8.604591    5.769692
N       3.960107    2.531349    7.340422
C       3.787538    2.898973    8.667506
H       4.013508    2.380561    9.431685
C       4.425118    1.199556    6.876874
C       3.195629    0.276842    6.732221
H       2.734694    0.195335    7.605255
H       2.559033    0.668918    6.082012
C       3.641106   -1.121421    6.244564
H       2.840091   -1.713049    6.155069
C       4.578435   -1.710238    7.236316
H       4.113284   -1.822661    8.102043
H       4.867925   -2.604002    6.925823
C       5.770121   -0.838958    7.420785
H       6.387043   -1.247898    8.092911
C       5.355560    0.564927    7.886525
H       6.160791    1.128448    7.996111
H       4.901652    0.501689    8.763211
C       4.302998   -0.975271    4.907617
H       3.663591   -0.569142    4.270193
H       4.548924   -1.870441    4.564249
C       5.529816   -0.120855    4.989807
H       5.979509   -0.057617    4.098509
C       5.092771    1.294272    5.495728
H       4.458985    1.694780    4.850998
H       5.886760    1.883089    5.554174
C       6.502277   -0.692808    6.061921
H       7.277997   -0.087128    6.166028
H       6.838141   -1.578141    5.769692

59
[Co(IPh)2]1+ with a = 30                
Co	1.675	9.48	4.668                         
N	4.61885	9.94258	4.47986                         
N	3.52247	11.7771	4.56251                         
C	3.36	10.429	4.574                         
C	4.861	12.1209	4.47109                         
C	5.55012	10.9641	4.41981                         
C	4.90918	8.52382	4.40756                         
C	4.89657	7.91187	3.16084                         
C	5.16214	6.54801	3.11047                         
C	5.45885	5.81289	4.25103                         
C	5.46147	6.46552	5.46628                         
C	5.16969	7.82654	5.57775                         
C	2.40242	12.6697	4.66444                         
C	1.72825	13.0402	3.50621                         
C	0.587906	13.8293	3.65268                        
C	0.138958	14.236	4.88656                        
C	0.838891	13.853	6.01544                        
C	1.97478	13.0558	5.93482                         
H	5.22307	12.9994	4.44936                         
H	6.49457	10.8679	4.35431                         
H	4.70726	8.40277	2.36985                         
H	5.1387	6.10546	2.26943                         
H	5.65339	4.88541	4.18433                         
H	5.66919	5.9733	6.25221                         
H	5.12841	8.2425	6.43085                         
H	2.01563	12.743	2.6509                         
H	0.105564	14.0932	2.87881                        
H	-0.63727	14.7779	4.96608                        
H	0.536462	14.1418	6.86788                        
H	2.4322	12.7646	6.71486                         
N	-0.176	7.258	5.214                         
N	-1.222	8.842	4.238                         
C	0.001	8.507	4.722                         
C	-1.479	6.82	5.03                         
C	-2.135	7.818	4.42                         
C	0.89	6.49	5.81                         
C	1.203	6.703	7.151                         
C	2.228	5.935	7.698                         
C	2.908	4.99	6.951                         
C	2.585	4.83	5.62                         
C	1.579	5.582	5.016                         
C	-1.52	10.106	3.606                         
C	-2.14	11.097	4.361                         
C	-2.49	12.277	3.701                         
C	-2.229	12.48	2.373                         
C	-1.574	11.485	1.663                         
C	-1.197	10.275	2.259                         
H	-1.836	5.978	5.287                         
H	-3.049	7.822	4.164                         
H	0.760068	7.35889	7.67647                        
H	2.467	6.062	8.61                         
H	3.5967	4.47206	7.35091                         
H	3.061	4.192	5.101                         
H	1.40279	5.49737	4.08633                         
H	-2.32296	10.9714	5.28472                        
H	-2.926	12.963	4.193                         
H	-2.49042	13.2887	1.94858                        
H	-1.376	11.629	0.745                         
H	-0.72989	9.60653	1.7717                    

59
[Co(IPh)2]1+ with a = 50
Co	1.675	9.48	4.668
N	4.56429	10.0045	4.12719
N	3.57526	11.7203	4.9349
C	3.36	10.429	4.574
C	4.89366	12.0878	4.72299
C	5.51527	11.0057	4.21485
C	4.77839	8.67502	3.58956
C	4.53423	8.46388	2.23873
C	4.72987	7.18	1.74219
C	5.17942	6.14013	2.54587
C	5.41026	6.39941	3.88088
C	5.19876	7.66208	4.43848
C	2.52621	12.5312	5.48571
C	1.68637	13.225	4.62165
C	0.620296	13.9238	5.18712
C	0.39884	13.9387	6.54366
C	1.25869	13.242	7.37203
C	2.3309	12.5158	6.86679
H	5.28404	12.9359	4.90119
H	6.43101	10.9421	3.96407
H	4.23788	9.16714	1.67296
H	4.54919	7.00905	0.824649
H	5.32084	5.27688	2.17534
H	5.72385	5.69658	4.43838
H	5.31653	7.80344	5.37049
H	1.81576	13.1999	3.68084
H	0.02842	14.4026	4.62006
H	-0.32996	14.4249	6.91101
H	1.11364	13.2599	8.31022
H	2.89808	12.0088	7.4358
N	-0.176	7.258	5.214
N	-1.222	8.842	4.238
C	0.001	8.507	4.722
C	-1.479	6.82	5.03
C	-2.135	7.818	4.42
C	0.89	6.49	5.81
C	1.203	6.703	7.151
C	2.228	5.935	7.698
C	2.908	4.99	6.951
C	2.585	4.83	5.62
C	1.579	5.582	5.016
C	-1.52	10.106	3.606
C	-2.14	11.097	4.361
C	-2.49	12.277	3.701
C	-2.229	12.48	2.373
C	-1.574	11.485	1.663
C	-1.197	10.275	2.259
H	-1.836	5.978	5.287
H	-3.049	7.822	4.164
H	0.760068	7.35889	7.67647
H	2.467	6.062	8.61
H	3.5967	4.47206	7.35091
H	3.061	4.192	5.101
H	1.40279	5.49737	4.08633
H	-2.32296	10.9714	5.28472
H	-2.926	12.963	4.193
H	-2.49042	13.2887	1.94858
H	-1.376	11.629	0.745
H	-0.72989	9.60653	1.7717
				
59
[Co(IPh)2]1+ with a = 60
Co	1.675	9.48	4.668
N	4.51578	10.0747	3.96669
N	3.62421	11.6503	5.10564
C	3.36	10.429	4.574
C	4.92533	12.0431	4.8393
C	5.48559	11.0492	4.12241
C	4.66385	8.84163	3.21842
C	4.30334	8.83803	1.87716
C	4.43717	7.64381	1.17781
C	4.93744	6.49332	1.77399
C	5.28407	6.54692	3.10806
C	5.13928	7.71096	3.8657
C	2.63764	12.3705	5.86033
C	1.73826	13.1888	5.18599
C	0.734297	13.7959	5.93965
C	0.628468	13.6056	7.29687
C	1.54473	12.7897	7.93391
C	2.55948	12.1464	7.2349
H	5.34197	12.8537	5.10919
H	6.37582	11.0226	3.78731
H	3.97078	9.61946	1.45141
H	4.17709	7.61418	0.263898
H	5.03417	5.69589	1.2668
H	5.63312	5.76714	3.52425
H	5.33745	7.70928	4.7948
H	1.78732	13.3062	4.24455
H	0.103842	14.3562	5.50413
H	-0.05937	14.032	7.79445
H	1.47974	12.6656	8.87302
H	3.16508	11.5579	7.6702
N	-0.176	7.258	5.214
N	-1.222	8.842	4.238
C	0.001	8.507	4.722
C	-1.479	6.82	5.03
C	-2.135	7.818	4.42
C	0.89	6.49	5.81
C	1.203	6.703	7.151
C	2.228	5.935	7.698
C	2.908	4.99	6.951
C	2.585	4.83	5.62
C	1.579	5.582	5.016
C	-1.52	10.106	3.606
C	-2.14	11.097	4.361
C	-2.49	12.277	3.701
C	-2.229	12.48	2.373
C	-1.574	11.485	1.663
C	-1.197	10.275	2.259
H	-1.836	5.978	5.287
H	-3.049	7.822	4.164
H	0.760068	7.35889	7.67647
H	2.467	6.062	8.61
H	3.5967	4.47206	7.35091
H	3.061	4.192	5.101
H	1.40279	5.49737	4.08633
H	-2.32296	10.9714	5.28472
H	-2.926	12.963	4.193
H	-2.49042	13.2887	1.94858
H	-1.376	11.629	0.745
H	-0.72989	9.60653	1.7717
				
				
59
[Co(IPh)2]1+ with a = 70
Co	1.675	9.48	4.668
N	4.45494	10.1686	3.82337
N	3.68635	11.5551	5.25905
C	3.36	10.429	4.574
C	4.96604	11.9812	4.94439
C	5.44885	11.1063	4.04048
C	4.52086	9.06276	2.88784
C	4.04833	9.26309	1.59728
C	4.10478	8.18833	0.71701
C	4.63642	6.95983	1.0878
C	5.09526	6.81005	2.38001
C	5.03236	7.84616	3.31408
C	2.77792	12.1546	6.19549
C	1.83708	13.0674	5.73186
C	0.909538	13.5553	6.65172
C	0.915909	13.1618	7.96876
C	1.87044	12.257	8.39457
C	2.81281	11.725	7.52213
H	5.41603	12.7407	5.29666
H	6.30711	11.129	3.6301
H	3.69268	10.1006	1.32431
H	3.76803	8.29799	-0.16522
H	4.67806	6.24825	0.459781
H	5.46655	5.97554	2.6424
H	5.30826	7.70337	4.21184
H	1.80819	13.326	4.81818
H	0.252973	14.1764	6.36135
H	0.278998	13.5092	8.58206
H	1.88317	11.9922	9.3063
H	3.44418	11.0762	7.81019
N	-0.176	7.258	5.214
N	-1.222	8.842	4.238
C	0.001	8.507	4.722
C	-1.479	6.82	5.03
C	-2.135	7.818	4.42
C	0.89	6.49	5.81
C	1.203	6.703	7.151
C	2.228	5.935	7.698
C	2.908	4.99	6.951
C	2.585	4.83	5.62
C	1.579	5.582	5.016
C	-1.52	10.106	3.606
C	-2.14	11.097	4.361
C	-2.49	12.277	3.701
C	-2.229	12.48	2.373
C	-1.574	11.485	1.663
C	-1.197	10.275	2.259
H	-1.836	5.978	5.287
H	-3.049	7.822	4.164
H	0.760068	7.35889	7.67647
H	2.467	6.062	8.61
H	3.5967	4.47206	7.35091
H	3.061	4.192	5.101
H	1.40279	5.49737	4.08633
H	-2.32296	10.9714	5.28472
H	-2.926	12.963	4.193
H	-2.49042	13.2887	1.94858
H	-1.376	11.629	0.745
H	-0.72989	9.60653	1.7717


59
[Co(IPh)2]1+ with a = 80
Co	1.675	9.48	4.668
N	4.38362	10.2832	3.70159
N	3.75981	11.4377	5.39046
C	3.36	10.429	4.574
C	5.01456	11.9041	5.03507
C	5.40619	11.1752	3.97155
C	4.35378	9.33169	2.60786
C	3.77696	9.72613	1.40759
C	3.74282	8.79702	0.37379
C	4.2855	7.52549	0.50816
C	4.84957	7.18079	1.71885
C	4.88125	8.06357	2.80036
C	2.94276	11.8902	6.48099
C	1.97985	12.8645	6.24269
C	1.14069	13.2092	7.30169
C	1.25243	12.6208	8.5389
C	2.22592	11.6601	8.74
C	3.08319	11.2645	7.71976
H	5.50396	12.6006	5.45791
H	6.22695	11.2582	3.49721
H	3.41205	10.5961	1.29553
H	3.33442	9.03972	-0.44965
H	4.26333	6.91718	-0.22119
H	5.22921	6.31544	1.81961
H	5.22985	7.78589	3.63934
H	1.87773	13.2586	5.3843
H	0.471283	13.8684	7.16566
H	0.674851	12.8725	9.2499
H	2.31166	11.2602	9.5969
H	3.72688	10.5784	7.8515
N	-0.176	7.258	5.214
N	-1.222	8.842	4.238
C	0.001	8.507	4.722
C	-1.479	6.82	5.03
C	-2.135	7.818	4.42
C	0.89	6.49	5.81
C	1.203	6.703	7.151
C	2.228	5.935	7.698
C	2.908	4.99	6.951
C	2.585	4.83	5.62
C	1.579	5.582	5.016
C	-1.52	10.106	3.606
C	-2.14	11.097	4.361
C	-2.49	12.277	3.701
C	-2.229	12.48	2.373
C	-1.574	11.485	1.663
C	-1.197	10.275	2.259
H	-1.836	5.978	5.287
H	-3.049	7.822	4.164
H	0.760068	7.35889	7.67647
H	2.467	6.062	8.61
H	3.5967	4.47206	7.35091
H	3.061	4.192	5.101
H	1.40279	5.49737	4.08633
H	-2.32296	10.9714	5.28472
H	-2.926	12.963	4.193
H	-2.49042	13.2887	1.94858
H	-1.376	11.629	0.745
H	-0.72989	9.60653	1.7717
				

59
[Co(IPh)2]1+ with a = 90
Co	1.675	9.48	4.668
N	4.30397	10.415	3.60505
N	3.84235	11.3016	5.49588
C	3.36	10.429	4.574
C	5.0694	11.814	5.10858
C	5.35888	11.2539	3.91771
C	4.16767	9.64026	2.38701
C	3.49747	10.2131	1.31386
C	3.36228	9.45138	0.15858
C	3.89535	8.17312	0.052677
C	4.55447	7.64789	1.14468
C	4.69055	8.35659	2.34017
C	3.12717	11.5853	6.70816
C	2.16221	12.5863	6.70294
C	1.42074	12.7682	7.86981
C	1.6278	11.9989	8.98998
C	2.60037	11.017	8.95971
C	3.36239	10.7789	7.82179
H	5.60311	12.4374	5.58805
H	6.13779	11.4061	3.39268
H	3.13742	11.0907	1.36594
H	2.88944	9.81681	-0.58077
H	3.80257	7.68235	-0.75543
H	4.92832	6.77653	1.08089
H	5.10459	7.95434	3.09467
H	1.99384	13.106	5.92572
H	0.752139	13.4418	7.89264
H	1.11616	12.1412	9.77768
H	2.75221	10.4917	9.73598
H	4.00461	10.0794	7.79289
N	-0.176	7.258	5.214
N	-1.222	8.842	4.238
C	0.001	8.507	4.722
C	-1.479	6.82	5.03
C	-2.135	7.818	4.42
C	0.89	6.49	5.81
C	1.203	6.703	7.151
C	2.228	5.935	7.698
C	2.908	4.99	6.951
C	2.585	4.83	5.62
C	1.579	5.582	5.016
C	-1.52	10.106	3.606
C	-2.14	11.097	4.361
C	-2.49	12.277	3.701
C	-2.229	12.48	2.373
C	-1.574	11.485	1.663
C	-1.197	10.275	2.259
H	-1.836	5.978	5.287
H	-3.049	7.822	4.164
H	0.760068	7.35889	7.67647
H	2.467	6.062	8.61
H	3.5967	4.47206	7.35091
H	3.061	4.192	5.101
H	1.40279	5.49737	4.08633
H	-2.32296	10.9714	5.28472
H	-2.926	12.963	4.193
H	-2.49042	13.2887	1.94858
H	-1.376	11.629	0.745
H	-0.72989	9.60653	1.7717
			                          
			                          
59                                       			                          
[Co(IPh)'2]1+               
Co	1.701	9.453	4.594    				
N	-1.189	8.922	4.264    
N	-0.1	7.231	5.058      
N	3.519	11.715	4.698    
N	4.602	9.879	4.308      
C	0.014	8.502	4.648      
C	3.391	10.392	4.522    
C	-2.226	7.866	4.301    
C	-1.486	6.709	4.979    
C	-1.462	10.179	3.624
C	-2.16	11.156	4.336  
C	-2.531	12.311	3.661
C	-2.221	12.521	2.336
C	-1.486	11.549	1.664
C	-1.091	10.373	2.288
C	0.971	6.48	5.652    
C	1.305	6.711	6.981    
C	2.307	5.928	7.547    
C	2.961	4.939	6.811    
C	2.615	4.765	5.491    
C	1.634	5.525	4.88     
C	4.91	12.184	4.658  
C	5.672	10.905	4.269  
C	2.396	12.549	5.01   
C	2.029	12.706	6.352  
C	0.914	13.495	6.633  
C	0.181	14.104	5.629  
C	0.561	13.909	4.315  
C	1.672	13.136	3.973  
C	4.842	8.506	3.968                     
C	4.662	8.091	2.642        
C	4.92	6.762	2.332        
C	5.352	5.855	3.292        
C	5.512	6.304	4.596        
C	5.248	7.622	4.956        
H	-3.12758	7.9777	4.02662
H	-1.76144	5.81146	5.11742
H	-2.36332	11.0392	5.25661
H	-3.015	12.981	4.129    
H	-2.49403	13.3142	1.8902 
H	-1.249	11.694	0.755    
H	-0.58395	9.72594	1.81185
H	0.888454	7.39102	7.49729
H	2.552	6.071	8.454        
H	3.63045	4.40532	7.22273  
H	3.065	4.1	4.982          
H	1.45306	5.42573	3.95269  
H	5.27379	13.0526	4.7755   
H	6.61412	10.7958	4.23598  
H	2.50511	12.2739	7.05138  
H	0.65	13.617	7.538      
H	-0.57023	14.6453	5.8414 
H	0.051	14.312	3.625      
H	1.91774	13.0012	3.06528  
H	4.38966	8.69318	1.95957  
H	4.796	6.465	1.44         
H	5.53323	4.96318	3.05659  
H	5.812	5.695	5.261        
H	5.33434	7.89362	5.86224  
		                       