60
Zn_cc01
Zn         1.33130        1.89490        0.00950
Cl         0.10870        0.40530       -1.23370
Cl         2.31350        3.94950       -0.52750
C          0.36610        2.42200        1.92130
C          2.97170        0.94100        1.16180
N         -0.89190        2.51060        2.44630
N          1.17950        2.61380        3.01120
C          0.45400        2.80690        4.18790
C         -0.86410        2.74550        3.82630
C          2.63280        2.70540        2.86200
C         -2.11490        2.48550        1.66770
C         -2.55150        3.69420        1.08380
C         -3.77140        3.67430        0.38260
C         -4.53450        2.50050        0.25390
C         -4.04780        1.31630        0.83930
C         -2.83390        1.27730        1.54470
C         -1.73750        4.96650        1.19130
C         -5.84240        2.49630       -0.51010
C         -2.29430       -0.02570        2.09140
N          3.23150        1.44770        2.41270
N          3.77180       -0.16440        1.09890
C          4.51000       -0.34250        2.27550
C          4.16160        0.67940        3.11550
C          3.94250       -1.00340       -0.07060
C          4.88710       -0.60410       -1.04010
C          5.09360       -1.45940       -2.13850
C          4.38810       -2.66680       -2.28300
C          3.44490       -3.01400       -1.29730
C          3.19490       -2.19510       -0.18370
C          5.64540        0.70090       -0.91750
C          4.62330       -3.57270       -3.47430
C          2.11550       -2.55240        0.81330
H          0.92460        2.98210        5.15360
H         -1.77520        2.85280        4.41060
H          3.07570        2.98650        3.82920
H          2.84720        3.47530        2.09800
H         -4.12840        4.60360       -0.07830
H         -4.62110        0.38640        0.73090
H         -1.52450        5.23300        2.24360
H         -0.76160        4.86580        0.68010
H         -2.27610        5.81110        0.73060
H         -6.12830        3.51270       -0.82970
H         -6.66770        2.08710        0.10200
H         -5.77010        1.86690       -1.41670
H         -1.45250       -0.37280        1.46250
H         -1.92150        0.07210        3.12660
H         -3.07210       -0.80730        2.07910
H          5.21060       -1.16560        2.39600
H          4.50030        0.92850        4.11950
H          5.82550       -1.16750       -2.90220
H          2.87120       -3.94350       -1.40420
H          6.17430        0.78280        0.05050
H          4.96430        1.56950       -0.98780
H          6.39440        0.79150       -1.72190
H          5.45750       -3.21150       -4.09960
H          4.85850       -4.60560       -3.15700
H          3.72340       -3.62840       -4.11490
H          1.23150       -1.90670        0.64940
H          2.44220       -2.41310        1.85960
H          1.79910       -3.60140        0.68840
75
Zn_cc02
Zn         1.66270       -2.04820        0.11830
Cl         1.06680       -3.99810       -1.01850
Cl         3.63410       -1.94740        1.36620
C          1.75410       -0.60030       -1.49470
C          0.16520       -1.59850        1.61970
C         -5.23910        0.45260        0.54340
C         -4.77180       -0.24520       -0.55850
C         -3.39380       -0.20550       -0.92140
C         -2.91220       -0.89520       -2.07040
C         -1.58070       -0.81320       -2.42760
C         -0.67320       -0.05210       -1.64030
C         -1.07480        0.61330       -0.47430
C         -2.47040        0.56080       -0.11360
C         -4.34040        1.22470        1.32550
C         -2.99180        1.27530        1.00650
C         -0.09270        1.38160        0.36760
C          0.37880        2.67560       -0.06120
C         -0.09660        3.29820       -1.25440
C          0.35730        4.55030       -1.64040
C          1.31440        5.24490       -0.85490
C          1.79110        4.67690        0.31550
C          1.33740        3.39600        0.74700
C          0.36760        0.88800        1.59480
C          1.31980        1.59130        2.38260
C          1.80100        2.81650        1.96280
N          0.68440        0.00790       -2.11140
N          2.82020       -0.38320       -2.31850
C          2.44450        0.32920       -3.46490
C          1.05960        0.57250       -3.34320
C          0.34050        1.25490       -4.33510
C          1.06060        1.68620       -5.45740
C          2.44850        1.44650       -5.58060
C          3.16540        0.76610       -4.58700
C          4.19250       -0.85470       -2.04990
C          5.10710        0.27070       -1.55400
N         -0.12030       -0.35360        2.13320
N         -0.42000       -2.48750        2.47300
C         -1.05640       -1.83380        3.53600
C         -0.85310       -0.45230        3.32920
C         -1.34730        0.50750        4.22430
C         -2.05640        0.03300        5.33610
C         -2.26400       -1.35000        5.54410
C         -1.76890       -2.30750        4.64860
C         -0.37610       -3.95330        2.30720
C         -1.69460       -4.51950        1.76760
H         -6.30150        0.41570        0.80940
H         -5.45770       -0.83800       -1.17580
H         -3.60930       -1.49660       -2.66530
H         -1.19200       -1.35250       -3.29690
H         -4.71520        1.78570        2.18890
H         -2.31030        1.88250        1.60970
H         -0.84180        2.77660       -1.86230
H         -0.02650        5.00710       -2.55960
H          1.66960        6.23140       -1.17360
H          2.52430        5.20770        0.93480
H          1.68000        1.12560        3.30510
H          2.54760        3.35230        2.56020
H         -0.73610        1.42840       -4.24210
H          0.53480        2.21760       -6.25810
H          2.97550        1.79820       -6.47420
H          4.23930        0.58060       -4.68580
H          4.56900       -1.31090       -2.98290
H          4.12020       -1.64180       -1.28180
H          5.15540        1.11340       -2.26670
H          6.12790       -0.12440       -1.41220
H          4.74960        0.64330       -0.57970
H         -1.17510        1.57680        4.06650
H         -2.45580        0.75040        6.06130
H         -2.82240       -1.68140        6.42620
H         -1.92900       -3.37740        4.81310
H          0.44010       -4.17320        1.59960
H         -0.11410       -4.38560        3.28970
H         -1.88190       -4.13420        0.75160
H         -1.62050       -5.61900        1.70500
H         -2.55420       -4.26470        2.41290
24
Zn_cn01
Zn         1.27070        1.78650       -0.14730
Cl         1.49950        2.34580        2.03890
Cl         1.70010        3.08400       -1.96130
C          1.38310       -0.34610       -0.52460
N         -0.91080        1.08710       -0.42320
N          0.16350       -0.96760       -0.71290
N          2.28290       -1.35360       -0.63440
C          1.66260       -2.58060       -0.88530
C          0.31840       -2.34080       -0.93750
C          3.72770       -1.17070       -0.46460
C         -1.05780       -0.22580       -0.67690
C         -2.01040        1.86380       -0.37100
C         -3.30150        1.35820       -0.56930
C         -3.44340       -0.01170       -0.83410
C         -2.30650       -0.82910       -0.89200
H          2.22100       -3.50670       -1.00520
H         -0.50880       -3.02150       -1.11720
H          3.94530       -0.09450       -0.50590
H          4.26500       -1.68490       -1.27740
H          4.05040       -1.57320        0.50990
H         -1.82980        2.92360       -0.16290
H         -4.16870        2.02240       -0.51760
H         -4.43410       -0.44900       -0.99750
H         -2.39990       -1.89800       -1.10000
30
Zn_cn02
Zn         0.21700        1.83610       -0.09440
Cl         0.26200        2.59220        2.05470
Cl         0.42960        3.06310       -2.00420
C         -0.04030       -0.22550       -0.35880
N          2.49690        0.49400       -0.14380
N         -1.22100       -0.88380       -0.51380
N          0.91450       -1.19130       -0.43830
C          0.34000       -2.45400       -0.64370
C         -1.01390       -2.25910       -0.69150
C          2.29900       -0.82330       -0.30860
C         -2.44930       -0.13600       -0.47940
N         -2.27700        1.18310       -0.29330
C         -3.37250        1.96140       -0.24740
C         -4.67390        1.45420       -0.38520
C         -4.83250        0.07510       -0.57970
C         -3.69940       -0.75080       -0.62990
C          3.76170        0.92840       -0.00950
C          4.87060        0.06840       -0.03600
C          4.64260       -1.30400       -0.20820
C          3.32800       -1.77390       -0.34840
H          0.91580       -3.37060       -0.74200
H         -1.81710       -2.97710       -0.83560
H         -3.18340        3.02970       -0.09450
H         -5.53590        2.12630       -0.34110
H         -5.83000       -0.36240       -0.69300
H         -3.79790       -1.82960       -0.78110
H          3.87540        2.01000        0.12440
H          5.88260        0.46830        0.07750
H          5.47860       -2.01090       -0.23220
H          3.12480       -2.84070       -0.47870
40
Zn_cn03
Zn        -0.89170        1.57470        0.63190
Cl        -0.79650        0.21900        2.47000
Cl        -0.48140        3.79940        0.43910
C         -0.72960        0.37560       -1.13930
N         -3.06420        1.34880       -0.17240
N         -1.92470        0.05950       -1.75470
N          0.19690       -0.31800       -1.84480
C         -0.38590       -1.05580       -2.88330
C         -1.73110       -0.82000       -2.82820
C          1.61850       -0.27080       -1.55660
C         -3.16250        0.59700       -1.28510
C         -4.18570        1.89710        0.33390
C         -5.44810        1.71080       -0.24340
C         -5.53780        0.92640       -1.40230
C         -4.37810        0.35620       -1.94390
C          2.39200        0.74990       -2.14590
C          3.76670        0.76920       -1.84590
C          4.35470       -0.17310       -0.98450
C          3.53440       -1.16260       -0.40880
C          2.15610       -1.23250       -0.67220
C          1.76990        1.81670       -3.02060
C          5.83410       -0.12210       -0.66360
C          1.27760       -2.25330        0.01760
H          0.20700       -1.67340       -3.55400
H         -2.53790       -1.20840       -3.44330
H         -4.04580        2.50590        1.23340
H         -6.33290        2.17190        0.20430
H         -6.50360        0.75840       -1.89030
H         -4.42780       -0.24810       -2.85320
H          4.38960        1.55600       -2.28920
H          3.97430       -1.89520        0.27950
H          1.11670        1.38930       -3.80340
H          2.55060        2.41540       -3.51770
H          1.14970        2.50650       -2.41700
H          6.33570        0.70510       -1.19340
H          6.00060        0.02160        0.42010
H          6.34100       -1.06350       -0.94620
H          1.89110       -3.01240        0.53010
H          0.60660       -2.77600       -0.68840
H          0.63710       -1.76320        0.77730
27
Zn_cn04
Zn         0.90220        1.44830        0.24520
Cl         0.11110        0.92470        2.33870
Cl         1.94540        3.32530       -0.51770
C          1.47910       -0.37050       -0.72860
N         -1.01010        1.24050       -0.96430
N          0.51500       -1.31570       -0.95250
N          2.56880       -0.83710       -1.39930
C          2.29950       -2.05250       -2.02640
C          0.99050       -2.35310       -1.75080
C          3.85460       -0.13330       -1.43590
C         -1.57890        0.01980       -1.12500
C         -1.59040        2.31790       -1.53160
C         -2.77940        2.23180       -2.27000
C         -3.37830        0.97540       -2.42830
C         -2.76680       -0.14880       -1.85140
C         -0.86400       -1.14810       -0.45530
H          3.04880       -2.59380       -2.60020
H          0.37820       -3.20540       -2.03830
H          3.68470        0.90840       -1.12090
H          4.25040       -0.14200       -2.46420
H          4.57780       -0.61650       -0.75730
H         -1.06520        3.26860       -1.38120
H         -3.21960        3.13260       -2.70810
H         -4.30750        0.86690       -2.99860
H         -3.20420       -1.14660       -1.96490
H         -0.80390       -0.95030        0.63440
H         -1.40870       -2.08960       -0.62620
36
Zn_cn05
Zn         0.82980       -2.43660        0.45250
Cl         2.89530       -1.64010       -0.14640
Cl         0.17290       -4.59280        0.88170
C         -0.39640       -1.08640        1.57740
N          0.94460        2.79060        3.03360
N         -1.73580       -1.06870        1.29450
N         -0.22690       -0.04610        2.43990
C         -1.42650        0.61590        2.69430
C         -2.38700       -0.03250        1.96220
C          1.51340        1.71690        2.43860
C         -1.86290       -1.79570       -1.08270
N         -0.53090       -1.93880       -1.29360
C         -0.03740       -1.75670       -2.53580
C         -0.85360       -1.44560       -3.63260
C         -2.23170       -1.30800       -3.42290
C         -2.74390       -1.48050       -2.12760
C          1.28160        4.00690        2.55940
C          2.18110        4.20800        1.50030
C          2.75600        3.08360        0.89060
C          2.41630        1.80750        1.36410
C         -2.34510       -2.01870        0.34530
C          1.08570        0.36160        2.98040
H         -1.46950        1.48890        3.34140
H         -3.45710        0.14320        1.87310
H          1.04960       -1.86480       -2.63010
H         -0.41170       -1.31440       -4.62500
H         -2.90220       -1.06290       -4.25400
H         -3.81520       -1.37130       -1.92760
H          0.80830        4.86360        3.05830
H          2.42080        5.22280        1.16480
H          3.46030        3.19440        0.05840
H          2.82540        0.89650        0.90830
H         -3.43940       -1.91220        0.40840
H         -2.06090       -3.04150        0.66390
H          1.80030       -0.42530        2.69380
H          1.00820        0.40480        4.08010
29
Zn_cn06
Zn         0.52490        0.92650       -1.17120
Cl         2.21550        2.40800       -0.69140
Cl        -0.42620        0.54910       -3.21070
C          0.82300       -0.78850        0.08070
N         -1.18220        1.62100        0.16280
N          0.21040       -1.06720        1.27060
N          1.72780       -1.79870       -0.07390
C          1.67200       -2.70220        0.98220
C          0.70910       -2.23980        1.83860
C          2.62520       -1.90250       -1.23090
C         -0.86180       -0.26340        1.88530
C         -0.84040        1.23680        1.55740
C         -2.47890        1.07120       -0.28780
C         -1.20780        3.10290        0.07620
H          2.31920       -3.57450        1.04370
H          0.35540       -2.62870        2.79120
H          2.98170       -0.89530       -1.49710
H          2.09470       -2.34330       -2.09040
H          3.48770       -2.53150       -0.96160
H         -1.83700       -0.71400        1.62760
H         -0.74250       -0.35800        2.97870
H          0.16210        1.64930        1.77390
H         -1.56020        1.71460        2.26210
H         -3.31430        1.39130        0.37340
H         -2.44070       -0.02950       -0.32530
H         -2.66560        1.41790       -1.31600
H         -1.97600        3.53300        0.75570
H         -1.44000        3.39450       -0.96070
H         -0.21150        3.49970        0.33120
35
Zn_cn07
Zn        -0.88950        0.57350       -0.78600
Cl        -1.06740        0.90850       -3.05380
Cl        -2.27610        1.46840        0.80130
C         -0.43120       -1.48600       -0.42000
N          1.24050        1.18060       -0.28340
N          0.78750       -2.02360       -0.11350
N         -1.26980       -2.56230       -0.46130
C         -0.59930       -3.74540       -0.16830
C          0.70900       -3.40640        0.05270
C         -2.70530       -2.45500       -0.74770
C          2.03350       -1.25590        0.05490
C          2.11320        0.05960       -0.73360
C          1.32210        1.45810        1.18290
C          1.57580        2.37320       -1.13160
C          2.69670        1.87620        1.72900
C          0.74580        3.62010       -0.81820
H         -1.09600       -4.71320       -0.15640
H          1.57490       -4.01960        0.29390
H         -2.86300       -1.63650       -1.46630
H         -3.26750       -2.24240        0.17610
H         -3.05610       -3.39920       -1.19270
H          2.20650       -1.08950        1.13340
H          2.85440       -1.89920       -0.30760
H          1.86730       -0.13460       -1.79410
H          3.18090        0.37010       -0.69990
H          0.56650        2.23130        1.39600
H          0.95430        0.55830        1.70830
H          1.37830        2.06360       -2.17350
H          2.66180        2.59900       -1.04620
H          3.06220        2.80800        1.26340
H          3.47090        1.10040        1.58410
H          2.61420        2.05960        2.81470
H         -0.33640        3.40190       -0.83100
H          0.94340        4.37890       -1.59530
H          0.99780        4.06850        0.15830
39
Zn_cn08
Zn        -1.24970        1.73120       -1.99340
Cl         0.00230        3.34330       -3.01580
Cl        -3.31480        0.86540       -2.47580
C         -0.02430        0.14580       -1.17560
N         -1.51150        2.38090        0.15160
N         -0.40880       -0.39450        0.00410
N          1.22200       -0.38660       -1.44720
C          1.59440       -1.26500       -0.43250
C          0.56770       -1.26020        0.50100
C          1.95560        0.01630       -2.65880
C         -1.64590        1.44560        1.12610
C         -1.48540        3.68680        0.49110
C         -1.61640        4.12160        1.81760
C         -1.76300        3.16040        2.82630
C         -1.77140        1.80090        2.47670
C         -1.67110       -0.00850        0.67750
C          0.60920       -2.02030        1.72550
O         -0.26080       -2.03740        2.60700
N          1.81350       -2.77710        1.82880
C          2.00230       -3.60920        3.02830
C          2.86340       -2.83130        0.89560
O          3.85550       -3.53580        1.08050
N          2.72870       -2.03180       -0.27510
C          3.81330       -2.11730       -1.26410
H          1.46150        0.92180       -3.04720
H          1.92420       -0.77960       -3.42050
H          2.99760        0.26530       -2.41180
H         -1.34480        4.38790       -0.33980
H         -1.59650        5.19130        2.04740
H         -1.85880        3.46120        3.87540
H         -1.86480        1.01890        3.23740
H         -2.48810       -0.15040       -0.05640
H         -1.79870       -0.68760        1.53260
H          1.11440       -3.46680        3.65850
H          2.10900       -4.66610        2.73730
H          2.91420       -3.29650        3.56090
H          4.40110       -1.18450       -1.29160
H          4.46360       -2.93930       -0.93470
H          3.40720       -2.33900       -2.26310
54
Zn_cn09
Zn        -0.01300        1.14170       -0.65440
Cl         1.30980        2.32020        0.83310
Cl         0.12910        1.19780       -2.95170
C         -0.82000       -0.74240        0.08620
N          1.99300       -2.96660       -0.53650
N         -2.12730       -0.98300       -0.18830
N         -0.19560       -1.57740        0.93390
C          2.11670       -1.71980       -0.02430
C         -3.09570        1.30110       -0.57280
N         -2.01480        2.05240       -0.24800
C         -2.18870        3.27300        0.29780
C         -3.46080        3.81700        0.52330
C         -4.58500        3.05790        0.17020
C         -4.40090        1.78070       -0.38210
C          2.74060       -3.26960       -1.61430
C          3.63280       -2.37350       -2.22570
C          3.75460       -1.08770       -1.68500
C          2.98520       -0.75240       -0.56040
C         -2.77910       -0.06850       -1.15970
C          1.25110       -1.38510        1.18520
C         -2.89270       -2.14050        0.43900
C         -2.40270       -3.45230       -0.24980
C         -1.09800       -3.86000        0.51200
C         -0.90420       -2.73170        1.55480
C         -2.34640       -2.27550        1.91170
C         -3.06440       -3.39980        2.69670
C         -2.42200       -0.98780        2.75460
H         -1.26610        3.80730        0.55430
H         -3.56120        4.81420        0.96280
H         -5.59550        3.45240        0.32560
H         -5.25890        1.16210       -0.66690
H          2.61570       -4.28640       -2.01190
H          4.20430       -2.67800       -3.10900
H          4.42340       -0.34720       -2.13680
H          3.03370        0.24910       -0.11660
H         -2.09060        0.07140       -2.01650
H         -3.69380       -0.53940       -1.54380
H          1.52320       -2.03970        2.03150
H          1.42320       -0.33740        1.49240
H         -2.22650       -3.27380       -1.32390
H         -3.17870       -4.23650       -0.17700
H         -1.21530       -4.83520        1.01760
H         -0.20630       -3.92250       -0.13310
H         -0.32360       -3.04220        2.43970
H         -3.17910       -4.33500        2.12380
H         -4.06950       -3.07610        3.02020
H         -2.49150       -3.63740        3.61170
H         -1.89450       -0.13520        2.29970
H         -1.97890       -1.16220        3.75220
H         -3.47500       -0.69120        2.91450
C         -4.40900       -1.93840        0.35400
H         -4.91030       -2.71820        0.95100
H         -4.72000       -0.95560        0.74960
H         -4.79000       -2.03970       -0.67720
36
Zn_cn10
Zn         1.71750        1.51650        2.14660
Cl         1.42060        3.69490        1.51410
Cl         3.09520        0.70170        3.82830
C         -0.20370       -2.12480        1.05650
N          2.82100        0.69930        0.30000
N         -1.37750       -1.51800        1.33630
N          0.77710       -1.23170        1.31400
C          0.26400       -0.00020        1.76970
C         -1.10190       -0.21500        1.76430
C          2.85890       -0.63690        0.08670
C         -3.04970       -2.24520       -0.35000
N         -2.31720       -3.15420       -1.03200
C         -2.56740       -3.28790       -2.34860
C         -3.54180       -2.54540       -3.03650
C         -4.29580       -1.60930       -2.31710
C         -4.04610       -1.45440       -0.94490
C          3.36790        1.52690       -0.61320
C          3.99930        1.05450       -1.77340
C          4.04860       -0.32850       -1.99450
C          3.46250       -1.18930       -1.05340
C         -2.70800       -2.11760        1.12870
C          2.22270       -1.50250        1.16350
H         -0.10470       -3.13020        0.65530
H         -1.91550        0.45360        2.04020
H         -1.95830       -4.03210       -2.87850
H         -3.70060       -2.70020       -4.10860
H         -5.06270       -1.00480       -2.81360
H         -4.60800       -0.72620       -0.34980
H          3.27570        2.59590       -0.38390
H          4.43880        1.76130       -2.48400
H          4.53040       -0.73570       -2.89040
H          3.47470       -2.27500       -1.19910
H         -2.71640       -3.11400        1.60170
H         -3.43330       -1.47830        1.65570
H          2.35360       -2.57190        0.93310
H          2.69590       -1.27200        2.14060
43
Zn_cn11
Zn        -0.91590        2.18120        0.21120
Cl        -0.10300        2.52910        2.30890
Cl        -1.33370        3.71050       -1.47010
C         -0.60320        0.34160       -0.86370
N         -2.98220        1.36610        0.68110
N         -1.67850       -0.18160       -1.53170
N          0.39030       -0.57440       -1.06650
C         -0.05390       -1.64560       -1.84660
C         -1.36900       -1.39760       -2.13740
C          1.74830       -0.42850       -0.58340
C         -3.65520        0.64710       -0.25000
C         -3.52670        1.53830        1.90390
C         -4.78540        1.02180        2.24520
C         -5.49110        0.28790        1.28230
C         -4.91530        0.09180        0.01710
C          2.66650        0.29380       -1.37560
C          3.98630        0.40790       -0.89990
C          4.39000       -0.16380        0.31930
C          3.43630       -0.87090        1.07610
C          2.10440       -1.01160        0.65270
C          2.25270        0.93360       -2.68430
C          5.80910       -0.00880        0.82490
C          1.08330       -1.72040        1.51610
C         -2.97810        0.51630       -1.60650
H          0.60160       -2.46850       -2.12200
H         -2.09150       -1.96470       -2.72090
H         -2.90850        2.10270        2.61300
H         -5.19460        1.19220        3.24560
H         -6.47560       -0.13480        1.51180
H         -5.43620       -0.48420       -0.75520
H          4.71580        0.96540       -1.50040
H          3.73210       -1.31430        2.03560
H          1.79240        0.20210       -3.37410
H          3.12440        1.37820       -3.19220
H          1.50860        1.73590       -2.52350
H          6.47040        0.41930        0.05250
H          5.84420        0.66180        1.70400
H          6.23490       -0.97880        1.14040
H          0.37280       -0.99200        1.95010
H          1.57580       -2.24690        2.35030
H          0.49140       -2.45910        0.94560
H         -3.61890       -0.03620       -2.31150
H         -2.78230        1.53150       -2.00810
47
Zn_cn12
Zn        -0.90940        2.21880        0.26540
Cl        -0.05510        2.32740        2.36820
Cl        -1.21540        3.80240       -1.36410
C         -0.64250        0.38810       -0.90160
N         -2.96860        1.39560        0.71080
N         -1.72200       -0.09050       -1.58890
N          0.34890       -0.55040       -1.08320
C         -0.10600       -1.58630       -1.86950
C         -1.42100       -1.31490       -2.19560
C          1.71140       -0.40670       -0.59280
C         -3.65020        0.72440       -0.25040
C         -3.48450        1.46430        1.95620
C         -4.71650        0.88340        2.29000
C         -5.42670        0.19430        1.29790
C         -4.88280        0.10740        0.00660
C          2.64880        0.21870       -1.44230
C          3.96350        0.34070       -0.95710
C          4.33410       -0.13680        0.31390
C          3.35490       -0.75100        1.11830
C          2.02390       -0.89600        0.69290
C          2.25830        0.75620       -2.80280
C          5.75130        0.02310        0.82070
C          0.97470       -1.51090        1.59030
C         -2.99790        0.68170       -1.62070
H         -2.86500        1.99310        2.69060
H         -5.10080        0.96770        3.31110
H         -6.38780       -0.27970        1.52550
H         -5.39880       -0.43610       -0.79150
H          4.71530        0.82390       -1.59270
H          3.62970       -1.12340        2.11280
H          1.86880       -0.03990       -3.46480
H          3.13000        1.20830       -3.30330
H          1.47700        1.53490       -2.72180
H          6.44930        0.26970        0.00300
H          5.81150        0.83630        1.56840
H          6.10970       -0.89830        1.31330
H          0.28120       -0.73300        1.96230
H          1.44720       -1.98310        2.46720
H          0.38740       -2.28440        1.06440
H         -3.64840        0.21420       -2.36780
H         -2.72070        1.70790       -1.93460
N          0.76730       -2.69970       -2.25990
O          1.04800       -3.50440       -1.36230
O          1.16580       -2.70250       -3.42920
N         -2.30140       -2.16930       -2.95800
O         -3.45560       -1.76770       -3.20270
O         -1.82080       -3.26130       -3.30460
52
Zn_cn13
Zn        -0.93870        0.78090        0.55760
Cl        -0.27000       -0.09380        2.58640
Cl        -0.97880        2.30260       -1.21630
N         -1.38800       -1.52630       -1.57950
C         -0.45270       -0.91990       -0.79500
N          0.73230       -1.56060       -1.08950
C          0.52540       -2.54670       -2.03110
C         -0.82020       -2.54840       -2.34300
C          2.02190       -1.22650       -0.50380
C         -4.12330       -0.28180        0.48490
N         -3.28680        0.70440        0.90180
C         -3.82900        1.73360        1.55930
C         -5.18530        1.89230        1.85250
C         -6.04530        0.87660        1.41820
C         -5.50840       -0.21890        0.72970
C          2.76610       -0.18420       -1.09630
C          4.00190        0.12870       -0.50080
C          4.48520       -0.55960        0.62470
C          3.70660       -1.60170        1.16420
C          2.46220       -1.95870        0.62210
C          2.27710        0.56140       -2.31710
C          5.81060       -0.18880        1.25600
C          1.62120       -3.05140        1.24400
C         -2.78240       -1.03740       -1.55620
C         -3.49320       -1.45340       -0.23520
H         -5.52670        2.77510        2.39520
H         -7.12020        0.94010        1.61580
H         -6.15320       -1.03070        0.37910
H          4.60340        0.93390       -0.94000
H          4.07240       -2.15050        2.04100
H          2.07380       -0.13240       -3.15340
H          1.34730        1.12600       -2.11060
H          3.03960        1.28160       -2.65600
H          6.37850        0.51500        0.62440
H          6.44020       -1.08110        1.42590
H          5.65780        0.29210        2.24050
H          0.74810       -2.60350        1.75680
H          1.25580       -3.78030        0.49850
H          2.20780       -3.60830        1.99380
H         -3.29930       -1.44130       -2.43440
H         -2.70500        0.06090       -1.64800
H         -4.25270       -2.22770       -0.43500
H         -2.74710       -1.90210        0.44710
N         -2.88660        2.79860        2.02920
O         -3.38920        3.77040        2.60690
O         -1.67150        2.63790        1.81780
N         -1.50340       -3.43630       -3.24380
O         -0.77950       -4.14360       -3.96530
O         -2.75180       -3.44370       -3.22380
N          1.61460       -3.39010       -2.52860
O          2.43370       -2.84330       -3.27620
O          1.62680       -4.55820       -2.12070
52
Zn_cn14
Zn        -0.47570        1.20560        0.36540
Cl         0.37130        1.46920        2.45160
Cl        -0.69280        2.72090       -1.36140
N         -0.92540       -1.14450       -1.62210
C         -0.01500       -0.56590       -0.79010
N          1.17000       -1.22930       -1.01940
C          0.98740       -2.22310       -1.95470
C         -0.33630       -2.18690       -2.34520
C          2.43330       -0.90630       -0.37470
C         -3.63590        0.06280        0.38370
N         -2.68890        0.89420        0.89370
C         -3.05650        1.83900        1.79220
C         -4.37770        2.02490        2.21630
C         -5.33780        1.17320        1.67120
C         -4.98750        0.18070        0.75520
C          3.26230        0.05060       -0.99730
C          4.48010        0.34480       -0.35850
C          4.86100       -0.27250        0.84510
C          3.99090       -1.21670        1.42440
C          2.76100       -1.55220        0.83820
C          2.86690        0.73880       -2.28550
C          6.16570        0.08520        1.52380
C          1.82530       -2.54920        1.48540
C         -2.30400       -0.60740       -1.73940
C         -3.21050       -1.04920       -0.56040
H         -2.24130        2.45050        2.19640
H         -4.65080        2.79760        2.93780
H         -5.75530       -0.48180        0.34840
H          5.14670        1.08380       -0.81970
H          4.27210       -1.70170        2.36730
H          2.71670        0.00920       -3.10230
H          1.93070        1.31810       -2.17190
H          3.65560        1.43990       -2.60310
H          6.82770        0.65830        0.85310
H          6.71010       -0.81720        1.85520
H          5.98310        0.70360        2.42270
H          0.89660       -2.05530        1.82740
H          1.54450       -3.36370        0.79220
H          2.30070       -3.00830        2.36750
H         -2.70660       -0.96840       -2.69270
H         -2.18780        0.49090       -1.79110
H         -2.68480       -1.82320        0.03140
H         -4.11600       -1.53790       -0.95800
N         -6.76790        1.31810        2.07520
O         -7.57840        0.52360        1.57380
O         -7.03490        2.22040        2.88180
N         -0.97850       -3.08730       -3.26660
O         -0.22290       -3.88380       -3.85060
O         -2.21610       -3.01920       -3.39600
N          2.08200       -3.10740       -2.37120
O          2.86590       -2.64980       -3.20990
O          2.13180       -4.20840       -1.81220
52
Zn_cn15
Zn        -0.45660        1.91690       -0.33240
Cl         0.60170        2.36270        1.63430
Cl        -0.96760        3.38560       -1.99820
N         -0.98240       -0.67650       -1.90930
C         -0.02180       -0.05470       -1.16540
N          0.96810       -0.99680       -0.97970
C          0.61610       -2.18480       -1.58710
C         -0.62000       -1.99970       -2.17350
C          2.21610       -0.76430       -0.26410
C         -3.44270        0.17710       -0.08560
N         -2.51230        1.00410        0.46110
C         -2.62640        1.33110        1.77520
C         -3.64680        0.86120        2.60830
C         -4.57410       -0.00960        2.03500
C         -4.48610       -0.36730        0.69230
C          3.29950       -0.21940       -0.98840
C          4.49530       -0.00880       -0.28200
C          4.62150       -0.32300        1.08390
C          3.51240       -0.87020        1.75340
C          2.28680       -1.09770        1.10420
C          3.19230        0.11470       -2.46010
C          5.91350       -0.04720        1.82310
C          1.09260       -1.62770        1.86570
C         -2.17310        0.06480       -2.39580
C         -3.44060       -0.16730       -1.56780
H         -1.83060        1.97640        2.16930
H         -3.71010        1.14590        3.66070
H         -5.22110       -1.05140        0.26030
H          5.35410        0.41240       -0.81900
H          3.59440       -1.11530        2.81920
H          2.95930       -0.78400       -3.06000
H          2.40170        0.86290       -2.65330
H          4.14310        0.53040       -2.83090
H          6.78910       -0.12830        1.15580
H          6.05580       -0.74350        2.66730
H          5.91160        0.97830        2.23900
H          0.34930       -0.82210        2.01520
H          0.59520       -2.46580        1.34500
H          1.39940       -1.98740        2.86140
H         -2.36560       -0.25740       -3.42900
H         -1.88110        1.13040       -2.41400
H         -3.76650       -1.21610       -1.68680
H         -4.22570        0.44750       -2.05360
N         -5.67470       -0.57430        2.87160
O         -6.46090       -1.35700        2.31630
O         -5.71690       -0.21640        4.05740
N         -1.36230       -2.96490       -2.94160
O         -0.77990       -4.03850       -3.17050
O         -2.51560       -2.66120       -3.30680
N          1.47480       -3.37170       -1.51800
O          1.09710       -4.27560       -0.76370
O          2.51240       -3.33240       -2.19030
52
Zn_cn16
Zn        -0.45660        1.91690       -0.33240
Cl         0.60170        2.36270        1.63430
Cl        -0.96760        3.38560       -1.99820
N         -0.98240       -0.67650       -1.90930
C         -0.02180       -0.05470       -1.16540
N          0.96810       -0.99680       -0.97970
C          0.61610       -2.18480       -1.58710
C         -0.62000       -1.99970       -2.17350
C          2.21610       -0.76430       -0.26410
C         -3.44270        0.17710       -0.08560
N         -2.51230        1.00410        0.46110
C         -2.62640        1.33110        1.77520
C         -3.64680        0.86120        2.60830
C         -4.57410       -0.00960        2.03500
C         -4.48610       -0.36730        0.69230
C          3.29950       -0.21940       -0.98840
C          4.49530       -0.00880       -0.28200
C          4.62150       -0.32300        1.08390
C          3.51240       -0.87020        1.75340
C          2.28680       -1.09770        1.10420
C          3.19230        0.11470       -2.46010
C          5.91350       -0.04720        1.82310
C          1.09260       -1.62770        1.86570
C         -2.17310        0.06480       -2.39580
C         -3.44060       -0.16730       -1.56780
H         -1.83060        1.97640        2.16930
H         -3.71010        1.14590        3.66070
H         -5.22110       -1.05140        0.26030
H          5.35410        0.41240       -0.81900
H          3.59440       -1.11530        2.81920
H          2.95930       -0.78400       -3.06000
H          2.40170        0.86290       -2.65330
H          4.14310        0.53040       -2.83090
H          6.78910       -0.12830        1.15580
H          6.05580       -0.74350        2.66730
H          5.91160        0.97830        2.23900
H          0.34930       -0.82210        2.01520
H          0.59520       -2.46580        1.34500
H          1.39940       -1.98740        2.86140
H         -2.36560       -0.25740       -3.42900
H         -1.88110        1.13040       -2.41400
H         -3.76650       -1.21610       -1.68680
H         -4.22570        0.44750       -2.05360
N         -5.67470       -0.57430        2.87160
O         -6.46090       -1.35700        2.31630
O         -5.71690       -0.21640        4.05740
N         -1.36230       -2.96490       -2.94160
O         -0.77990       -4.03850       -3.17050
O         -2.51560       -2.66120       -3.30680
N          1.47480       -3.37170       -1.51800
O          1.09710       -4.27560       -0.76370
O          2.51240       -3.33240       -2.19030
30
Zn_cn17
Zn         0.77900        1.24690        0.63280
Cl         0.38790        0.70140        2.83120
Cl         1.67710        3.25550       -0.08080
C          1.55560       -0.46370       -0.46010
N         -1.13110        1.23800       -0.48840
N          0.94590       -1.62990       -0.85040
N          2.82620       -0.57720       -0.95870
C          3.01160       -1.77870       -1.63330
C          1.82040       -2.44650       -1.56810
C          3.88150        0.42710       -0.77150
C         -1.82500        0.07880       -0.61650
C         -1.52080        2.33290       -1.17870
C         -2.63220        2.32740       -2.03060
C         -3.35740        1.13580       -2.17290
C         -2.94980        0.00130       -1.45750
C         -1.34740       -1.11040        0.19660
C         -0.42240       -2.09830       -0.53820
H          3.95790       -2.04810       -2.09780
H          1.52160       -3.41560       -1.96260
H          3.41500        1.40230       -0.55310
H          4.47250        0.50740       -1.69790
H          4.54160        0.13360        0.06240
H         -0.89160        3.21960       -1.03340
H         -2.91440        3.23750       -2.56830
H         -4.23370        1.08980       -2.82910
H         -3.50380       -0.94070       -1.53710
H         -2.22930       -1.70770        0.49430
H         -0.87500       -0.76380        1.13720
H         -0.88300       -2.41020       -1.49440
H         -0.31970       -3.00100        0.09160
42
Zn_cn18
Zn        -0.74310       -0.99030       -0.33690
Cl        -0.04370       -0.14210       -2.38020
Cl        -1.58880       -3.11330       -0.12040
C          0.80100       -0.43180        1.03120
N         -2.46800        0.25760        0.30030
N          0.81820        0.54930        1.98140
N          2.08420       -0.89670        1.00450
C          2.88990       -0.22750        1.92180
C          2.08600        0.69410        2.54040
C          4.45860       -0.56280       -0.83740
C         -2.38660        1.53610        0.75120
C         -3.68210       -0.27700        0.03580
C         -4.87290        0.44350        0.18890
C         -4.79850        1.76870        0.63710
C         -3.54090        2.31730        0.92710
N          5.55340       -0.03550       -0.23820
C          6.00700        1.14830       -0.70050
C          5.40620        1.86150       -1.74760
C          4.25970        1.31650       -2.34490
C          3.77510        0.08470       -1.88640
C         -0.35780        1.36550        2.32210
C          2.51060       -1.97610        0.08570
C         -1.00600        2.06840        1.08610
C          4.00050       -1.90580       -0.28660
H          3.95570       -0.41850        2.02160
H          2.30720        1.43130        3.30930
H         -3.66690       -1.32190       -0.29920
H         -5.83150       -0.03100       -0.04120
H         -5.70640        2.36850        0.76570
H         -3.44810        3.34660        1.28950
H          6.89850        1.54550       -0.19540
H          5.82030        2.82090       -2.07680
H          3.74240        1.84110       -3.15610
H          2.86790       -0.34780       -2.32540
H         -1.09410        0.71640        2.82650
H         -0.01960        2.11350        3.05730
H          1.87780       -1.87630       -0.81270
H          2.27840       -2.95000        0.55150
H         -0.34370        1.94220        0.20910
H         -1.07970        3.15270        1.27860
H          4.64330       -2.15190        0.57730
H          4.16930       -2.70440       -1.03520
46
Zn_cn19
Zn        -1.03850        0.60570        0.45900
Cl        -1.34590       -0.87820        2.21880
Cl        -0.05590        2.67890        0.54120
C         -0.59400       -0.65320       -1.22890
N         -3.15950        1.15740        0.02400
N         -1.45330       -1.32210       -2.05930
N          0.64270       -1.10880       -1.60020
C          0.56030       -2.03250       -2.64230
C         -0.76960       -2.16680       -2.93430
C          1.88880       -0.72940       -0.96080
C         -4.10350        0.23430       -0.29080
C         -3.54010        2.41200        0.35450
C         -4.88350        2.80550        0.39580
C         -5.86680        1.85570        0.08890
C         -5.47090        0.55690       -0.26200
C          2.55910        0.42970       -1.40550
C          3.78020        0.74960       -0.78410
C          4.31830       -0.03390        0.25100
C          3.61070       -1.17960        0.66130
C          2.38890       -1.55140        0.07580
C          1.97780        1.33040       -2.47310
C          5.61040        0.35710        0.93670
C          1.62540       -2.75900        0.57510
C         -3.61290       -1.13820       -0.70680
C         -2.91710       -1.13880       -2.10070
H          1.44430       -2.50620       -3.06220
H         -1.28200       -2.77620       -3.67590
H         -2.71660        3.09740        0.59240
H         -5.14480        3.83190        0.67050
H         -6.92960        2.12100        0.11810
H         -6.21340       -0.20770       -0.51410
H          4.31520        1.64940       -1.11250
H          4.01330       -1.80080        1.47150
H          1.52510        0.76140       -3.30440
H          2.75620        1.99150       -2.89010
H          1.19060        1.97230       -2.03220
H          6.19530        1.06660        0.32690
H          5.40620        0.84550        1.90850
H          6.24390       -0.52420        1.14330
H          0.71020       -2.44540        1.11500
H          2.24520       -3.34620        1.27310
H          1.31150       -3.42740       -0.24750
H         -4.47310       -1.82870       -0.73930
H         -2.91840       -1.52230        0.06730
H         -3.13350       -0.20080       -2.64240
H         -3.30660       -1.96740       -2.71450
55
Zn_cn20
Zn        -1.06290        0.39190        0.62480
Cl        -1.60160       -1.22600        2.19800
Cl         0.00930        2.36630        1.09970
C         -0.57200       -0.72480       -1.15640
N         -3.07490        1.14110        0.04550
N         -1.40910       -1.35610       -2.04030
N          0.67730       -1.14990       -1.53040
C          0.62270       -2.01350       -2.62190
C         -0.69950       -2.14410       -2.94580
C          1.92320       -0.72540       -0.91540
C         -4.04710        0.31380       -0.41620
C         -3.38170        2.42030        0.35930
C         -4.67630        2.93750        0.22810
C         -5.69000        2.08990       -0.23780
C         -5.37020        0.76430       -0.56410
C          2.57450        0.41040       -1.45630
C          3.80430        0.78010       -0.87950
C          2.43930       -1.47580        0.17160
C          2.01050        1.21410       -2.63000
C          1.73630       -2.72190        0.71570
C         -3.63850       -1.09580       -0.79770
C         -2.87100       -1.16750       -2.14750
H          1.51840       -2.44950       -3.05690
H         -1.19020       -2.71860       -3.72880
H         -2.53960        3.01980        0.72830
H         -4.87810        3.97970        0.49370
H         -6.71800        2.45350       -0.34690
H         -6.13900        0.07600       -0.93120
H          4.33570        1.65670       -1.26690
H          1.00030        0.82830       -2.85660
H          0.66590       -2.65450        0.44990
H         -4.54870       -1.71340       -0.88840
H         -3.03060       -1.53620        0.01830
H         -3.05720       -0.25820       -2.74760
H         -3.23710       -2.02520       -2.73570
C          1.85830        2.71140       -2.28120
H          1.24780        2.84590       -1.37140
H          2.84000        3.18850       -2.10620
H          1.37540        3.24710       -3.11960
C          2.87720        1.01800       -3.89620
H          3.90560        1.39000       -3.73590
H          2.94830       -0.04750       -4.18160
H          2.44730        1.57360       -4.74960
C          1.80140       -2.82610        2.25350
H          1.38750       -1.92340        2.73160
H          1.19650       -3.68610        2.59070
H          2.83370       -2.98530        2.61680
C          2.31730       -3.99810        0.05770
H          3.39060       -4.11110        0.29890
H          1.78870       -4.89540        0.42810
H          2.22140       -3.97770       -1.04310
C          3.67090       -1.05380        0.70680
H          4.10310       -1.60050        1.55110
C          4.34600        0.05750        0.18860
H          5.29960        0.36900        0.63020
50
Zn_cn21
Zn        -1.01730        0.31030        0.79930
Cl        -1.30490       -1.21730        2.49240
Cl         0.18920        2.25670        0.86760
C         -0.74950       -0.87960       -1.04670
N         -2.97570        1.10970        0.19900
N         -1.62170       -1.48090       -1.91080
N          0.50420       -1.09420       -1.59290
C          0.40960       -1.79640       -2.77060
C         -0.92730       -2.04590       -2.99260
C          1.75720       -0.68410       -0.97330
C         -3.95180        0.28920       -0.26340
C         -3.20270        2.44100        0.27970
C         -4.42020        3.01820       -0.09840
C         -5.43720        2.18120       -0.57810
C         -5.19980        0.80220       -0.65970
C          2.37270        0.50760       -1.41310
C          3.58120        0.86390       -0.79260
C          4.15220        0.08790        0.23200
C          3.50150       -1.09610        0.62260
C          2.29580       -1.51500        0.03480
C          1.74270        1.40260       -2.45630
C          5.42490        0.53320        0.92010
C          1.61940       -2.79600        0.47120
C         -3.64410       -1.19380       -0.34880
C         -3.09060       -1.66420       -1.70740
H         -2.35630        3.03250        0.65020
H         -4.56120        4.10010       -0.01580
H         -6.40540        2.59430       -0.88200
H         -5.97600        0.12030       -1.02370
H          4.07720        1.79030       -1.10690
H          3.94320       -1.71980        1.40940
H          1.43620        0.85020       -3.36250
H          2.45170        2.18750       -2.76660
H          0.85350        1.90510       -2.03120
H          6.07710        1.10570        0.23780
H          5.19160        1.19000        1.78000
H          5.99890       -0.32570        1.30890
H          0.69140       -2.58900        1.03920
H          2.28760       -3.37450        1.13020
H          1.36330       -3.43560       -0.39300
H         -4.59160       -1.74850       -0.22040
H         -2.98730       -1.50500        0.48740
H         -3.60580       -1.16420       -2.54310
H         -3.27670       -2.74370       -1.82050
N          1.59450       -2.17390       -3.54890
O          2.24340       -3.12940       -3.10600
O          1.84670       -1.48420       -4.54310
N         -1.48700       -2.73570       -4.12490
O         -2.72730       -2.76170       -4.24730
O         -0.66310       -3.24740       -4.90380
52
Zn_cn22
Zn        -0.97710        0.82250        0.56290
Cl        -0.30330        0.01840        2.61000
Cl        -0.97490        2.31800       -1.23380
N         -1.37930       -1.47620       -1.59360
C         -0.45640       -0.88430       -0.78320
N          0.73000       -1.53450       -1.05740
C          0.53050       -2.51850       -2.00460
C         -0.80730       -2.50240       -2.34730
C          2.01970       -1.21260       -0.46260
C         -4.16270       -0.26080        0.42970
N         -3.34430        0.73120        0.86960
C         -3.91200        1.74540        1.53040
C         -5.27400        1.87970        1.80830
C         -6.11420        0.85850        1.34920
C         -5.55210       -0.21930        0.65390
C          2.79250       -0.19820       -1.06620
C          4.03620        0.08690       -0.47350
C          4.50230       -0.60360        0.65820
C          3.69380       -1.61580        1.21150
C          2.43870       -1.94220        0.67280
C          2.32200        0.54880       -2.29360
C          5.84200       -0.26720        1.27880
C          1.56430       -3.00000        1.30840
C         -2.77010       -0.97770       -1.58850
C         -3.51000       -1.41820       -0.29290
H         -5.63420        2.75050        2.35800
H         -7.19260        0.90470        1.53220
H         -6.18010       -1.03500        0.28220
H          4.65890        0.87200       -0.91950
H          4.04200       -2.16190        2.09680
H          2.12440       -0.14570       -3.13100
H          1.39330        1.11940       -2.09950
H          3.09260        1.26340       -2.62630
H          6.39930        0.46370        0.66890
H          6.47150       -1.16900        1.39050
H          5.71320        0.16540        2.28850
H          0.68140       -2.52640        1.77800
H          1.21520       -3.75090        0.57580
H          2.11880       -3.53430        2.09730
H         -3.27130       -1.35580       -2.48710
H         -2.68070        0.12190       -1.65420
H         -4.26050       -2.19300       -0.52220
H         -2.77770       -1.87490        0.39910
N         -2.99580        2.82690        2.01780
O         -3.52070        3.76940        2.62410
O         -1.78060        2.70860        1.78520
N         -1.47860       -3.37350       -3.27320
O         -0.74670       -4.10910       -3.95720
O         -2.72620       -3.34100       -3.30870
N          1.61610       -3.38890       -2.46350
O          1.60150       -4.55220       -2.04260
O          2.46210       -2.86320       -3.19780
52
Zn_cn23
Zn        -0.44900        1.90750       -0.36320
Cl         0.59280        2.41160        1.59910
Cl        -0.92070        3.33600       -2.08150
N         -0.98290       -0.68930       -1.92750
C         -0.02920       -0.06720       -1.17550
N          0.96690       -1.00330       -0.99410
C          0.62940       -2.18580       -1.61830
C         -0.60740       -2.00640       -2.20470
C          2.20690       -0.76950       -0.26680
C         -3.43290        0.19470       -0.06880
N         -2.51900        1.06040        0.44570
C         -2.63730        1.43340        1.74770
C         -3.64520        0.97230        2.60110
C         -4.55210        0.05840        2.06260
C         -4.46030       -0.34540        0.73330
C          3.28270       -0.17850       -0.96410
C          4.46700        0.03710       -0.23990
C          4.58900       -0.31420        1.11750
C          3.48750       -0.90710        1.76070
C          2.27360       -1.14200        1.09270
C          3.17830        0.19850       -2.42570
C          5.86830       -0.03120        1.87550
C          1.08540       -1.72760        1.82260
C         -2.18870        0.04010       -2.39570
C         -3.43750       -0.19880       -1.54030
H         -1.85550        2.10970        2.11520
H         -3.71310        1.29270        3.64260
H         -5.18120       -1.06150        0.33020
H          5.31990        0.49460       -0.75620
H          3.56620       -1.18360        2.81910
H          2.95970       -0.68540       -3.05280
H          2.37980        0.94250       -2.60260
H          4.12560        0.63620       -2.77980
H          6.74900       -0.06260        1.21100
H          6.02570       -0.75670        2.69220
H          5.83660        0.97650        2.33240
H          0.30510       -0.95680        1.96620
H          0.63390       -2.57900        1.28200
H          1.38520       -2.08750        2.82010
H         -2.39780       -0.29120       -3.42260
H         -1.90310        1.10740       -2.42820
H         -3.73830       -1.25880       -1.62040
H         -4.24790        0.37590       -2.03290
N         -5.63580       -0.50480        2.92220
O         -6.40210       -1.32770        2.39760
O         -5.68460       -0.10660        4.09490
N         -1.34490       -2.97160       -2.97800
O         -0.74820       -4.03140       -3.23190
O         -2.50800       -2.68040       -3.32060
N          1.50020       -3.36430       -1.56870
O          1.13420       -4.28530       -0.82920
O          2.53510       -3.30210       -2.24370
53
Zn_cn24
Zn        -1.05260        0.66100        0.53000
Cl        -0.25400        0.28220        2.64530
Cl        -0.80920        2.42060       -0.95900
N         -1.45290       -1.60380       -1.60350
C         -0.54100       -1.00700       -0.78830
N          0.65450       -1.64060       -1.04690
C          0.47390       -2.62740       -1.99490
C         -0.86200       -2.62500       -2.34920
C          1.92920       -1.29210       -0.43130
C         -4.15500       -0.31950        0.47740
N         -3.30630        0.66660        0.88100
C         -3.80600        1.73600        1.56570
C         -5.18330        1.83510        1.84710
C         -6.05620        0.83040        1.42470
C         -5.53380       -0.26750        0.72810
C          2.70430       -0.28270       -1.04020
C          3.92640        0.03570       -0.41950
C          4.36350       -0.60980        0.74980
C          3.54730       -1.60990        1.31200
C          2.31470       -1.97080        0.74590
C          2.25270        0.43750       -2.29040
C          5.67720       -0.23450        1.40310
C          1.42500       -2.99940        1.40650
C         -2.85780       -1.13120       -1.58460
C         -2.84380        2.80030        2.01940
C         -3.54980       -1.50870       -0.24260
H         -5.55080        2.70620        2.39800
H         -7.12930        0.89800        1.63510
H         -6.18020       -1.08030        0.38250
H          4.55180        0.81690       -0.86850
H          3.86820       -2.11390        2.23210
H          1.99410       -0.27380       -3.09530
H          1.36730        1.07140       -2.08840
H          3.05500        1.09360       -2.66560
H          6.22740        0.51280        0.80680
H          6.33060       -1.11740        1.53000
H          5.51020        0.19300        2.40920
H          0.56010       -2.49880        1.88200
H          1.04690       -3.75160        0.69040
H          1.97580       -3.53550        2.19650
H         -3.37040       -1.57190       -2.44710
H         -2.80510       -0.03670       -1.71380
H         -2.07170        2.36310        2.68180
H         -2.31720        3.24360        1.15260
H         -3.36870        3.60050        2.56560
H         -4.32870       -2.26900       -0.42170
H         -2.80210       -1.97620        0.42480
N         -1.50710       -3.48920       -3.30380
O         -2.75130       -3.45070       -3.38550
O         -0.75290       -4.22600       -3.96150
N          1.57400       -3.49230       -2.43250
O          2.42930       -2.96500       -3.15400
O          1.56000       -4.65300       -2.00500
53
Zn_cn25
Zn        -0.49650        1.18180        0.34700
Cl         0.45150        1.40520        2.40770
Cl        -0.67970        2.73260       -1.35040
N         -0.91310       -1.13140       -1.67160
C         -0.01790       -0.58590       -0.80330
N          1.13720       -1.32070       -0.94920
C          0.95220       -2.31710       -1.88260
C         -0.34400       -2.21380       -2.34970
C          2.40180       -0.99460       -0.30490
C         -3.61290        0.01880        0.35790
N         -2.64670        0.79910        0.91370
C         -3.01260        1.67140        1.88360
C         -4.32990        1.81920        2.32670
C         -5.34690        1.04040        1.74910
C         -4.95500        0.12760        0.75120
C          3.27830       -0.12810       -0.99390
C          4.49300        0.18490       -0.35800
C          4.82290       -0.32810        0.90900
C          3.90740       -1.18350        1.55050
C          2.67800       -1.53230        0.96920
C          2.92780        0.45860       -2.34500
C          6.11890        0.05630        1.59050
C          1.68050       -2.39690        1.70490
C         -2.28020       -0.56780       -1.80210
C         -3.21560       -1.04040       -0.65860
C         -6.79320        1.17220        2.16300
H         -2.19440        2.24950        2.32980
H         -4.55520        2.54260        3.11740
H         -5.70370       -0.51650        0.27500
H          5.19510        0.85520       -0.86850
H          4.15030       -1.58550        2.54180
H          2.73800       -0.32660       -3.10040
H          2.02580        1.09750       -2.28660
H          3.75510        1.08450       -2.71740
H          6.84840        0.46940        0.87330
H          6.58360       -0.80940        2.09510
H          5.93930        0.82680        2.36410
H          0.83760       -1.77990        2.06980
H          1.27810       -3.20110        1.06380
H          2.15180       -2.86740        2.58340
H         -2.66260       -0.88760       -2.77790
H         -2.14540        0.52950       -1.80860
H         -2.72660       -1.87500       -0.11930
H         -4.13490       -1.46520       -1.09680
H         -6.89940        1.77600        3.07920
H         -7.25020        0.18270        2.34390
H         -7.38420        1.66100        1.36580
N         -0.98140       -3.09310       -3.29660
O         -2.16360       -2.86590       -3.61900
O         -0.27990       -4.03200       -3.71210
N          2.02880       -3.24940       -2.23060
O          2.29130       -4.10890       -1.37970
O          2.59400       -3.06370       -3.31340
48
Zn_cn26
Zn         1.33800       -2.45530       -0.00670
Cl         3.13970       -3.86110        0.08270
Cl        -0.77890       -3.05260       -0.67050
C          1.39500       -0.97940        1.50700
N          0.53280       -0.57910        2.48210
N          2.50380       -0.21230        1.69230
C          2.33930        0.67130        2.75720
C          1.08860        0.42910        3.26370
C          3.59810        0.59510       -0.41700
C         -1.95100       -0.04950        2.62150
C         -2.01160        1.09400        1.74770
C         -3.19520        1.92590        1.77820
C         -4.26870        1.61960        2.66150
C         -4.17600        0.52880        3.50740
C         -3.01710       -0.28950        3.48620
C         -0.84150       -1.09060        2.58310
C         -3.23580        3.04650        0.90120
C         -2.15040        3.31930        0.08850
C         -1.02820        2.44870        0.14240
N         -0.95240        1.37270        0.92080
C          2.76970        0.31360       -1.56310
C          2.80030        1.23960       -2.67390
C          3.61740        2.40500       -2.62040
C          4.39940        2.65660       -1.50840
C          4.38400        1.74590       -0.42180
N          1.97120       -0.81140       -1.60790
C          1.24320       -1.04140       -2.70480
C          1.23360       -0.19640       -3.84270
C          2.00610        0.94860       -3.81920
C          3.67450       -0.31830        0.79670
H          3.11220        1.37100        3.06810
H          0.54920        0.89890        4.08300
H         -5.15790        2.26200        2.66290
H         -4.99130        0.29280        4.20000
H         -2.96630       -1.15050        4.16400
H         -0.97620       -1.75500        1.70600
H         -0.91880       -1.72180        3.48720
H         -4.12440        3.68950        0.89430
H         -2.14920        4.17770       -0.59220
H         -0.15370        2.64310       -0.49400
H          3.61670        3.08930       -3.47750
H          5.03450        3.54800       -1.46330
H          5.02100        1.95080        0.44750
H          0.60780       -1.93590       -2.67570
H          0.60980       -0.45570       -4.70350
H          2.02520        1.64040       -4.67020
H          3.76210       -1.38290        0.50720
H          4.56870       -0.06200        1.38960
33
Zn_cn27
Zn         0.31490       -2.84480        0.50320
Cl         0.09450       -3.22950        2.75150
Cl         0.06760       -4.41160       -1.17510
C          1.81350       -1.41090        0.02940
N          1.75500       -0.18030        0.61850
N          2.85050       -1.31740       -0.85060
C          3.42670       -0.04840       -0.81910
C          2.72590        0.67780        0.10950
C         -0.51540        0.81770        1.01470
C         -1.50110        0.08700        0.25950
C         -2.65590        0.80360       -0.23410
C         -2.80610        2.19610        0.02570
C         -1.84990        2.87590        0.75740
C         -0.71680        2.17730        1.24510
C          0.71650        0.16150        1.61480
C         -3.63250        0.08320       -0.97810
C         -3.45560       -1.26660       -1.21310
C         -2.29490       -1.89630       -0.69980
N         -1.35200       -1.26440        0.00900
C          3.27730       -2.41170       -1.73010
H          4.27620        0.22030       -1.44350
H          2.84330        1.70320        0.45280
H         -3.69340        2.71040       -0.36210
H         -1.96090        3.94530        0.96510
H          0.02800        2.72520        1.83550
H          0.46460       -0.77370        2.15180
H          1.17430        0.84690        2.34770
H         -4.51390        0.61660       -1.35430
H         -4.18170       -1.85470       -1.78200
H         -2.10950       -2.96100       -0.89420
H          2.50530       -3.19790       -1.70470
H          3.38230       -2.03580       -2.76080
H          4.24190       -2.82300       -1.38810
33
Zn_cn28
Zn         0.77480        0.91150        0.04040
Cl         0.99090        1.16230        2.33220
Cl         1.57260        2.38970       -1.53820
C          1.61240       -1.07570       -0.23980
N         -1.39410        1.18270       -0.19980
N          1.20940       -2.38090       -0.36680
N          2.96390       -1.17180       -0.03200
C          3.39160       -2.49210       -0.01850
C          2.28140       -3.26190       -0.23150
C          3.83390       -0.01440        0.22620
C         -2.28230        0.23810        0.20390
C         -1.83510        2.41120       -0.54850
C         -3.19090        2.75960       -0.50090
C         -4.11470        1.79610       -0.07380
C         -3.65550        0.51830        0.27850
C         -1.68560       -1.12020        0.49330
C         -0.15450       -2.88260       -0.63980
C         -1.20660       -1.78870       -0.82490
H          4.43240       -2.76760        0.13710
H          2.16180       -4.34050       -0.30940
H          3.63110        0.76960       -0.52210
H          4.88300       -0.33870        0.15160
H          3.62730        0.38470        1.23400
H         -1.05730        3.11200       -0.87500
H         -3.50740        3.76600       -0.79060
H         -5.18310        2.03350       -0.01880
H         -4.35130       -0.25990        0.60920
H         -0.83780       -0.98390        1.19340
H         -2.42370       -1.76660        1.00070
H         -0.43660       -3.55810        0.19030
H         -0.09360       -3.49530       -1.55790
H         -2.07470       -2.24320       -1.33730
H         -0.80790       -1.02350       -1.51520
33
Zn_cn29
Zn         0.77480        0.91150        0.04040
Cl         0.99090        1.16230        2.33220
Cl         1.57260        2.38970       -1.53820
C          1.61240       -1.07570       -0.23980
N         -1.39410        1.18270       -0.19980
N          1.20940       -2.38090       -0.36680
N          2.96390       -1.17180       -0.03200
C          3.39160       -2.49210       -0.01850
C          2.28140       -3.26190       -0.23150
C          3.83390       -0.01440        0.22620
C         -2.28230        0.23810        0.20390
C         -1.83510        2.41120       -0.54850
C         -3.19090        2.75960       -0.50090
C         -4.11470        1.79610       -0.07380
C         -3.65550        0.51830        0.27850
C         -1.68560       -1.12020        0.49330
C         -0.15450       -2.88260       -0.63980
C         -1.20660       -1.78870       -0.82490
H          4.43240       -2.76760        0.13710
H          2.16180       -4.34050       -0.30940
H          3.63110        0.76960       -0.52210
H          4.88300       -0.33870        0.15160
H          3.62730        0.38470        1.23400
H         -1.05730        3.11200       -0.87500
H         -3.50740        3.76600       -0.79060
H         -5.18310        2.03350       -0.01880
H         -4.35130       -0.25990        0.60920
H         -0.83780       -0.98390        1.19340
H         -2.42370       -1.76660        1.00070
H         -0.43660       -3.55810        0.19030
H         -0.09360       -3.49530       -1.55790
H         -2.07470       -2.24320       -1.33730
H         -0.80790       -1.02350       -1.51520
49
Zn_cn30
Zn        -0.30650       -0.72660        0.14780
Cl         0.82010       -2.04290       -1.40800
Cl         0.61550       -0.13480        2.17080
C         -1.19580        0.86800       -1.04810
N         -1.85150       -2.13130        0.99800
N         -2.12470        0.87050       -2.06170
N         -0.80890        2.18360       -0.96220
C         -1.47550        2.98050       -1.89200
C         -2.31220        2.14950       -2.58270
C          0.24870        2.70630       -0.11520
C         -3.14350       -2.27960        0.60470
C         -1.37070       -2.91750        1.98790
C         -2.14390       -3.90170        2.61560
C         -3.47430       -4.06710        2.20900
C         -3.97960       -3.24180        1.19500
C         -0.09130        3.32900        1.10540
C          0.95220        3.88020        1.86510
C          2.29450        3.80570        1.44740
C          2.58500        3.17350        0.22670
C          1.57820        2.61180       -0.58000
C         -1.51260        3.33690        1.62280
C          3.39930        4.37730        2.31100
C          1.92350        1.92320       -1.88260
C         -3.62110       -1.34850       -0.48820
C         -2.77320       -0.30370       -2.69220
C         -2.83210       -1.54650       -1.80590
H         -1.29430        4.05040       -1.96400
H         -3.01180        2.34820       -3.39230
H         -0.33580       -2.71450        2.28610
H         -1.70570       -4.51630        3.40780
H         -4.11300       -4.82540        2.67580
H         -5.01740       -3.33510        0.85770
H          0.71100        4.36170        2.82140
H          3.62710        3.10650       -0.10980
H         -1.76740        2.33850        2.02650
H         -2.25220        3.57670        0.83820
H         -1.62830        4.06860        2.43980
H          3.15590        5.39720        2.66120
H          3.55660        3.75330        3.21090
H          4.35750        4.42230        1.76600
H          1.30030        2.28610       -2.72090
H          1.76990        0.82850       -1.81580
H          2.98080        2.09700       -2.14240
H         -4.70430       -1.48950       -0.65620
H         -3.48670       -0.31030       -0.12930
H         -2.20970       -0.54250       -3.61250
H         -3.78650        0.02390       -2.99070
H         -1.79740       -1.88470       -1.60720
H         -3.29420       -2.35450       -2.40300
46
Zn_cn31
Zn        -0.87530        1.64150       -0.01550
Cl         0.31500        1.86450        1.93200
Cl        -1.36640        3.24890       -1.59320
N         -1.59100       -0.72760       -1.76010
C         -0.54600       -0.21080       -1.04770
N          0.43880       -1.14980       -1.17480
C          0.01450       -2.22860       -1.95620
C         -1.27800       -1.96220       -2.32360
C          1.78010       -1.02500       -0.63750
C         -3.62150        0.09500       -0.57070
N         -3.07380        0.88310        0.39050
C         -3.74320        1.05600        1.56280
C         -4.96250        0.39020        1.80760
C         -5.51250       -0.44100        0.82850
C         -4.83560       -0.58210       -0.39080
C          2.77600       -0.46740       -1.46860
C          4.07800       -0.37380       -0.94680
C          4.38860       -0.80940        0.35400
C          3.36320       -1.36130        1.14260
C          2.04250       -1.47450        0.67440
C          2.45380        0.03870       -2.85910
C          5.78940       -0.65800        0.90970
C          0.94350       -1.99740        1.57150
C         -2.87040       -0.00690       -1.89070
C         -3.15880        2.00980        2.56920
H          0.66830       -3.06940       -2.17510
H         -1.98270       -2.52990       -2.92780
H         -5.46910        0.54240        2.76590
H         -6.45830       -0.96510        1.00540
H         -5.23990       -1.20670       -1.19440
H          4.86750        0.06120       -1.57210
H          3.59050       -1.69730        2.16210
H          1.99740       -0.74440       -3.49270
H          1.73550        0.87900       -2.82050
H          3.36580        0.39620       -3.36420
H          6.53510       -0.54390        0.10440
H          6.07820       -1.52860        1.52510
H          5.86160        0.23670        1.55700
H          0.33870       -1.15080        1.94940
H          0.26220       -2.68890        1.04380
H          1.36750       -2.52590        2.44140
H         -3.48100       -0.53660       -2.63860
H         -2.64350        1.01260       -2.26070
H         -3.13260        3.03240        2.14910
H         -3.75660        2.02750        3.49480
H         -2.11060        1.75130        2.81040
46
Zn_cn32
Zn        -0.34270        2.25300        0.08400
Cl         0.40060        2.58330        2.21490
Cl        -0.63200        3.78940       -1.61480
N         -1.10820       -0.10170       -1.66510
C         -0.04370        0.39240       -0.95860
N          0.92320       -0.56120       -1.10860
C          0.47410       -1.62670       -1.89340
C         -0.81820       -1.33680       -2.24140
C          2.26370       -0.46040       -0.56720
C         -3.10150        0.79230       -0.46070
N         -2.43760        1.50220        0.48470
C         -3.02260        1.68700        1.68550
C         -4.30050        1.19560        1.98350
C         -5.01120        0.46560        1.01470
C         -4.37770        0.26530       -0.23070
C          3.24890        0.19360       -1.33740
C          4.55010        0.25800       -0.80540
C          4.87180       -0.29460        0.44690
C          3.85250       -0.93050        1.18000
C          2.53510       -1.02040        0.70040
C          2.92040        0.81770       -2.67730
C          6.27340       -0.19060        1.01050
C          1.44250       -1.64170        1.54280
C         -2.38320        0.63350       -1.79310
C         -6.38590       -0.09970        1.28890
H          1.11130       -2.47560       -2.13000
H         -1.53450       -1.88560       -2.84960
H         -2.42180        2.24200        2.41670
H         -4.73560        1.38110        2.97150
H         -4.88240       -0.30330       -1.02100
H          5.33170        0.76270       -1.38700
H          4.08330       -1.35690        2.16480
H          2.48840        0.08080       -3.38000
H          2.18100        1.63350       -2.57230
H          3.82660        1.23960       -3.14200
H          6.99290        0.15200        0.24760
H          6.62600       -1.16210        1.40200
H          6.30930        0.52910        1.85010
H          0.79380       -0.85270        1.96840
H          0.79640       -2.32210        0.95990
H          1.87330       -2.21210        2.38240
H         -3.01380        0.09280       -2.51610
H         -2.14440        1.63870       -2.19550
H         -6.77620        0.23800        2.26310
H         -7.10530        0.20210        0.50610
H         -6.36300       -1.20560        1.29800
45
Zn_cn33
Zn        -0.79010        1.79080       -0.11780
Cl         0.70510        1.79610        1.61510
Cl        -1.37000        3.19980       -1.85370
N         -1.64070       -0.68970       -1.80770
C         -0.60280       -0.13890       -1.10490
N          0.39490       -1.06810       -1.21960
C         -0.01240       -2.16720       -1.97950
C         -1.30940       -1.93110       -2.34810
C          1.72660       -0.92350       -0.66490
C         -3.64720        0.15690       -0.62440
N         -3.04820        0.98050        0.26700
C         -3.66260        1.18920        1.42990
C         -4.86220        0.59820        1.83530
C         -5.47630       -0.26100        0.91450
C         -4.87010       -0.47460       -0.33330
C          2.67550       -0.17110       -1.38660
C          3.96210       -0.04780       -0.83120
C          4.30250       -0.64230        0.39620
C          3.32200       -1.38860        1.07630
C          2.01920       -1.53410        0.57330
C          2.32400        0.50380       -2.69480
C          5.68020       -0.45710        0.99690
C          0.95750       -2.24830        1.38090
C         -2.93440       -0.00540       -1.95640
H          0.65310       -3.00240       -2.18380
H         -2.00610       -2.52220       -2.93930
H         -5.27930        0.82220        2.81880
H         -6.42170       -0.75350        1.16500
H         -5.33740       -1.12860       -1.07650
H          4.71420        0.54090       -1.37100
H          3.56770       -1.84810        2.04220
H          1.87230       -0.20130       -3.41690
H          1.59400        1.32130       -2.54490
H          3.22320        0.93940       -3.16100
H          6.39390       -0.05180        0.25950
H          6.08800       -1.40920        1.38230
H          5.64390        0.24920        1.84790
H          0.28990       -1.50520        1.85730
H          0.32810       -2.91710        0.76690
H          1.41570       -2.85000        2.18380
H         -3.55130       -0.58440       -2.66110
H         -2.73550        1.00300       -2.37410
N         -3.00590        2.19350        2.32410
O         -3.44780        2.28220        3.47990
O         -2.08220        2.86450        1.83470
45
Zn_cn34
Zn        -0.35170        2.38360        0.08280
Cl         0.36310        2.64950        2.22830
Cl        -0.81540        3.95790       -1.53090
N         -1.12570        0.06120       -1.71710
C         -0.06350        0.55680       -1.00720
N          0.91870       -0.37530       -1.18520
C          0.48200       -1.42840       -1.99250
C         -0.81690       -1.15300       -2.32710
C          2.25120       -0.27800       -0.62250
C         -3.11900        0.87090       -0.46750
N         -2.45590        1.55280        0.49820
C         -3.00870        1.69150        1.72080
C         -4.27120        1.16910        2.04150
C         -4.94120        0.47420        1.03350
C         -4.38280        0.30730       -0.23810
C          3.27040        0.30190       -1.40870
C          4.56000        0.37020       -0.85080
C          4.83900       -0.10800        0.44230
C          3.78810       -0.67320        1.18830
C          2.47990       -0.76450        0.68370
C          2.98800        0.85110       -2.79170
C          6.22810        0.00350        1.03450
C          1.35880       -1.31230        1.53960
C         -2.41420        0.77450       -1.81270
H          1.12860       -2.26440       -2.24820
H         -1.52760       -1.70010       -2.94350
H         -2.39520        2.23130        2.45270
H         -4.71810        1.28880        3.03070
H         -4.92520       -0.24900       -1.00670
H          5.36650        0.82000       -1.44340
H          3.98560       -1.04090        2.20330
H          2.60340        0.07240       -3.47670
H          2.23010        1.65540       -2.75960
H          3.90550        1.26860       -3.23820
H          6.97900        0.25310        0.26570
H          6.53680       -0.93860        1.52250
H          6.26480        0.79530        1.80640
H          0.75620       -0.48110        1.95370
H          0.67760       -1.97000        0.97100
H          1.76230       -1.88830        2.38910
H         -3.04190        0.24900       -2.54900
H         -2.20090        1.80110       -2.17580
N         -6.28040       -0.12100        1.31800
O         -6.82130       -0.75450        0.39800
O         -6.74950        0.06020        2.45080
49
Zn_cn35
Zn        -1.05080        0.65380        0.45930
Cl        -0.37960        0.18570        2.61730
Cl        -0.71900        2.58090       -0.80810
N         -1.42860       -1.43050       -1.84780
C         -0.55520       -0.89810       -0.94380
N          0.64390       -1.47110       -1.26310
C          0.51690       -2.34600       -2.34490
C         -0.80230       -2.32350       -2.71330
C          1.90640       -1.16980       -0.61440
C         -4.16630       -0.30590        0.24820
N         -3.33550        0.65820        0.73130
C         -3.86480        1.69230        1.44850
C         -5.25370        1.78360        1.67320
C         -6.10870        0.80490        1.16390
C         -5.55490       -0.26000        0.44250
C          2.71930       -0.15910       -1.17250
C          3.95240        0.09580       -0.54430
C          4.36760       -0.60930        0.59800
C          3.51870       -1.60350        1.11900
C          2.27720       -1.90370        0.53450
C          2.27760        0.64880       -2.37300
C          5.69040       -0.30030        1.26860
C          1.35470       -2.92730        1.15800
C         -2.85320       -1.07130       -1.84210
C         -2.92590        2.72530        2.00730
C         -3.54510       -1.46830       -0.50260
H          1.36780       -2.89590       -2.73940
H         -1.33610       -2.84970       -3.50220
H         -5.64350        2.62720        2.25100
H         -7.19030        0.86480        1.32920
H         -6.18650       -1.05580        0.03400
H          4.60050        0.87870       -0.95830
H          3.82190       -2.15390        2.01880
H          1.93930        0.00710       -3.20730
H          1.43260        1.31450       -2.10690
H          3.10370        1.28000       -2.74020
H          6.27260        0.44030        0.69410
H          6.31040       -1.20920        1.37950
H          5.53370        0.11030        2.28360
H          0.54450       -2.41160        1.70930
H          0.88600       -3.58430        0.40360
H          1.90250       -3.56150        1.87500
H         -3.32440       -1.57830       -2.69930
H         -2.92510        0.01660       -2.01410
H         -2.18530        2.24570        2.67610
H         -2.35590        3.21410        1.19400
H         -3.47740        3.49310        2.57430
H         -4.32590       -2.22460       -0.69410
H         -2.79290       -1.95020        0.14820
49
Zn_cn36
Zn        -0.49970        0.68550        0.78240
Cl        -0.68530       -0.92090        2.44980
Cl         0.44210        2.77310        0.95790
N         -0.99560       -1.03440       -1.86330
C         -0.10540       -0.43850       -1.01030
N          1.11600       -0.85690       -1.46580
C          0.99360       -1.69030       -2.57780
C         -0.34660       -1.80110       -2.83110
C          2.38370       -0.52830       -0.84090
C         -3.59690        0.29200        0.16650
N         -2.65530        1.21130        0.50450
C         -3.05750        2.40860        0.98330
C         -4.40630        2.74050        1.15490
C         -5.39980        1.80150        0.82690
C         -4.96430        0.55980        0.31990
C          3.04140        0.66440       -1.21300
C          4.28060        0.93540       -0.60630
C          4.84830        0.07150        0.34680
C          4.15450       -1.10400        0.68510
C          2.91410       -1.42900        0.11030
C          2.42790        1.64500       -2.18760
C          6.15940        0.41610        1.02150
C          2.16630       -2.67340        0.53540
C         -2.45900       -0.85090       -1.82420
C         -3.09590       -1.01720       -0.41160
C         -6.87140        2.10250        0.99480
H          1.86060       -2.12420       -3.07000
H         -0.88630       -2.34650       -3.60260
H         -2.24660        3.10370        1.23560
H         -4.67600        3.72540        1.55080
H         -5.69620       -0.20800        0.04180
H          4.80750        1.85850       -0.87850
H          4.58250       -1.78760        1.42920
H          1.96050        1.14250       -3.05320
H          1.64660        2.24090       -1.67730
H          3.19120        2.34580       -2.56560
H          6.81860        1.00100        0.35640
H          6.70350       -0.49080        1.33780
H          5.98420        1.02600        1.92820
H          1.27410       -2.40410        1.13440
H          1.81890       -3.26980       -0.32790
H          2.81000       -3.31740        1.15740
H         -2.87620       -1.59870       -2.51840
H         -2.69240        0.14600       -2.23830
H         -2.35890       -1.45840        0.28900
H         -3.93940       -1.72530       -0.47970
H         -7.03280        3.08050        1.47730
H         -7.36790        1.32960        1.60920
H         -7.38680        2.11720        0.01620
48
Zn_cn37
Zn        -0.94740        0.84540        0.46590
Cl        -0.33440        0.04570        2.54790
Cl        -0.92300        2.51050       -1.18730
N         -1.30260       -1.29260       -1.82310
C         -0.41700       -0.77120       -0.92020
N          0.76520       -1.38370       -1.23640
C          0.61450       -2.26650       -2.31030
C         -0.70260       -2.21290       -2.67970
C          2.04790       -1.11970       -0.61380
C         -4.13510       -0.28780        0.23010
N         -3.35330        0.71180        0.71640
C         -3.96220        1.68330        1.40380
C         -5.33170        1.76510        1.66710
C         -6.13310        0.73370        1.16500
C         -5.52760       -0.30010        0.44000
C          2.86320       -0.10700       -1.16560
C          4.12740        0.09440       -0.58070
C          4.57640       -0.67360        0.50730
C          3.72530       -1.66890        1.02280
C          2.45150       -1.91290        0.48290
C          2.40210        0.73840       -2.33380
C          5.94180       -0.43790        1.12020
C          1.53290       -2.94710        1.09440
C         -2.71260       -0.89530       -1.82140
C         -3.44500       -1.39390       -0.53640
H          1.45230       -2.83700       -2.70350
H         -1.25030       -2.73150       -3.46420
H         -5.72490        2.60570        2.24060
H         -7.21420        0.73780        1.33770
H         -6.12450       -1.12300        0.03410
H          4.77780        0.87650       -0.99220
H          4.05660       -2.27160        1.87830
H          2.11180        0.11750       -3.20200
H          1.52000        1.35320       -2.06860
H          3.20620        1.41980       -2.65840
H          6.51610        0.31440        0.55300
H          6.53750       -1.36930        1.14870
H          5.85510       -0.07840        2.16260
H          0.72720       -2.43960        1.65980
H          1.05620       -3.58880        0.33100
H          2.08640       -3.59730        1.79260
H         -3.18210       -1.30410       -2.73040
H         -2.73700        0.20750       -1.89070
H         -4.17920       -2.17930       -0.78560
H         -2.69450       -1.85580        0.13120
N         -3.08840        2.77410        1.94510
O         -3.66030        3.69130        2.55380
O         -1.86630        2.68670        1.75230
48
Zn_cn38
Zn        -0.44830        1.14430        0.43140
Cl         0.09720        0.81960        2.63090
Cl        -0.44820        3.13970       -0.72070
N         -0.87480       -0.90270       -1.88270
C          0.00270       -0.40070       -0.96380
N          1.17680       -1.04330       -1.23510
C          1.03730       -1.92710       -2.30720
C         -0.26800       -1.84250       -2.71440
C          2.43770       -0.75640       -0.57620
C         -3.64610        0.11160        0.15920
N         -2.74110        0.96870        0.69580
C         -3.16680        1.93120        1.54540
C         -4.50990        2.09710        1.90650
C         -5.42600        1.20970        1.34130
C         -5.01620        0.20720        0.46110
C          3.26210        0.24650       -1.13170
C          4.49670        0.48660       -0.50170
C          4.90220       -0.22570        0.64000
C          4.03770       -1.20530        1.16390
C          2.79220       -1.48770        0.57930
C          2.82840        1.06310       -2.33050
C          6.22800        0.06710        1.31120
C          1.84740       -2.48800        1.20820
C         -2.27730       -0.46820       -1.96260
C         -3.13750       -0.97810       -0.76710
H          1.87160       -2.52080       -2.67290
H         -0.80410       -2.35060       -3.51340
H         -2.38970        2.58610        1.95300
H         -4.83310        2.88010        2.59520
H         -5.75230       -0.47480        0.02900
H          5.15390        1.26290       -0.91320
H          4.33260       -1.75850        2.06460
H          2.50400        0.42670       -3.17460
H          1.97850        1.72580       -2.07490
H          3.65600        1.70020       -2.68380
H          6.84720        0.74990        0.70510
H          6.80740       -0.85840        1.48260
H          6.07550        0.54110        2.29890
H          1.03490       -1.95480        1.73860
H          1.38230       -3.15620        0.46140
H          2.37680       -3.11340        1.94670
H         -2.67800       -0.84770       -2.91600
H         -2.27950        0.63450       -2.01140
H         -2.52870       -1.68750       -0.17560
H         -4.00300       -1.54960       -1.14420
N         -6.87370        1.33030        1.67830
O         -7.64660        0.51550        1.14890
O         -7.19660        2.23420        2.46320
28
Zn_co_ch01
Zn         1.67870        0.85210        1.29200
Cl         3.05330        2.55280        0.40980
Cl         2.44350       -0.26130        3.20080
C          1.45230       -0.63480       -0.28010
O         -0.26570        1.36510        1.50120
N          0.35340       -1.44290       -0.36220
N          2.20040       -0.98150       -1.37430
C          1.58200       -1.98210       -2.12030
C          0.40170       -2.26560       -1.48090
C          3.51460       -0.40690       -1.66890
C         -1.69490       -0.14620        0.25430
C         -1.32200        1.15700        0.75630
C         -2.21180        2.23310        0.43050
C         -3.36040        2.03890       -0.33920
C         -3.70560        0.76020       -0.82560
C         -2.86000       -0.31590       -0.51530
C         -0.80340       -1.32090        0.57110
H          2.02700       -2.39500       -3.02390
H         -0.40160       -2.95530       -1.73260
H          3.58860       -0.18930       -2.74840
H          3.61580        0.53220       -1.09360
H          4.31710       -1.11070       -1.38270
H         -1.94430        3.22740        0.80670
H         -4.00460        2.89980       -0.56800
H         -4.61090        0.60890       -1.42530
H         -3.11160       -1.32610       -0.87440
H         -1.35460       -2.27640        0.50750
H         -0.36930       -1.22580        1.58180
28
Zn_co_ch02
Zn         1.23790        0.26050        1.93430
Cl         0.51060       -1.91230        2.48040
Cl         2.80560        1.24230        3.35120
C          2.14590        0.03610       -0.04590
O         -0.21730        1.57590        1.42360
N          2.02170        0.92780       -1.07380
N          2.83930       -1.00730       -0.59790
C          3.12170       -0.78250       -1.94250
C          2.59860        0.44930       -2.24450
C          3.17520       -2.22840        0.13910
C         -0.22970        2.01570       -0.95330
C         -0.87710        1.68810        0.29570
C         -2.30110        1.53970        0.24860
C         -3.01860        1.68410       -0.94110
C         -2.36750        1.99960       -2.15160
C         -0.97430        2.16370       -2.13580
C          1.26540        2.20500       -0.94480
H          3.66740       -1.49700       -2.55640
H          2.59650        1.01500       -3.17430
H          3.50660       -1.95730        1.15190
H          3.98460       -2.75450       -0.39440
H          2.28770       -2.87370        0.23770
H         -2.80800        1.29140        1.18810
H         -4.10950        1.54910       -0.93100
H         -2.93470        2.11700       -3.08290
H         -0.44610        2.41890       -3.06770
H          1.58490        2.65580        0.01010
H          1.59900        2.84680       -1.78000
34
Zn_co_ch03
Zn         1.34100        0.32670        1.94070
Cl         0.78460       -1.69030        3.02990
Cl         3.06530        1.61620        2.85630
C          1.96110       -0.20300       -0.07700
O         -0.24210        1.50620        1.48010
N          1.85010        0.67970       -1.11380
N          2.46400       -1.33680       -0.65580
C          2.65850       -1.16600       -2.02610
C          2.25690        0.11340       -2.31540
C          2.82270       -2.54430        0.12500
C         -0.26950        1.98370       -0.89960
C         -0.90490        1.69790        0.36710
C         -2.33840        1.67730        0.35940
C         -3.07720        1.90210       -0.80400
C         -2.43850        2.17300       -2.03170
C         -1.03640        2.21070       -2.05570
C          1.23660        2.02830       -0.95630
H          3.06100       -1.94560       -2.66920
H          2.22190        0.65440       -3.25930
H          2.33010       -2.39680        1.10520
H         -2.83630        1.46670        1.31310
H         -4.17500        1.86560       -0.75940
H         -3.02040        2.35310       -2.94370
H         -0.51500        2.43010       -3.00070
H          1.65540        2.44710       -0.02440
H          1.59200        2.63220       -1.81060
C          2.24600       -3.80890       -0.52830
H          1.15590       -3.71340       -0.66900
H          2.71280       -4.02470       -1.50890
H          2.43230       -4.67650        0.12860
C          4.34630       -2.61120        0.32210
H          4.87570       -2.73470       -0.64270
H          4.71070       -1.69050        0.80850
H          4.60510       -3.46880        0.96840
37
Zn_co_ch04
Zn         1.09680        0.28320        2.02970
Cl         0.77550       -1.56990        3.42150
Cl         2.31880        2.08540        2.93260
C          2.16540       -0.14260        0.14420
O         -0.65880        0.89800        1.23950
N          2.08760        0.85100       -0.79310
N          2.92950       -1.11160       -0.46610
C          3.30150       -0.72140       -1.75400
C          2.76160        0.52000       -1.95830
C          3.27540       -2.42910        0.16810
C         -0.18830        1.85980       -0.94700
C         -1.05020        1.25660        0.04300
C         -2.42070        1.07840       -0.34330
C         -2.89270        1.44530       -1.60440
C         -2.03390        2.02450       -2.56150
C         -0.69070        2.22220       -2.20990
C          1.26650        2.08380       -0.62060
H          3.91120       -1.33350       -2.41130
H          2.79660        1.18070       -2.82200
H         -3.08790        0.62900        0.40160
H         -3.95080        1.27910       -1.85220
H         -2.40420        2.31720       -3.55140
H         -0.00190        2.68230       -2.93570
H          1.42250        2.41500        0.42270
H          1.71030        2.84280       -1.28980
C          1.97530       -3.23810        0.36100
H          1.30240       -2.73720        1.07810
H          1.45410       -3.37120       -0.60460
H          2.21830       -4.23670        0.76840
C          4.23640       -3.20620       -0.75540
H          3.77020       -3.46050       -1.72520
H          5.17340       -2.65010       -0.94250
H          4.50300       -4.15470       -0.25870
C          3.96840       -2.15870        1.51950
H          4.29260       -3.11760        1.96380
H          4.85650       -1.51650        1.38010
H          3.27820       -1.67740        2.23170
44
Zn_co_ch05
Zn        -0.97890        0.91810        1.03660
Cl        -1.48130       -1.30930        0.58830
Cl        -1.22590        1.75930        3.21710
C          1.07780        1.44920        0.47500
O         -1.90340        2.11130       -0.31980
N          1.33860        2.76440        0.20720
N          2.24250        0.81050        0.11170
C          3.19090        1.71200       -0.38150
C          2.60770        2.94960       -0.32750
C          2.51710       -0.59500        0.30320
C         -0.53020        4.05010       -0.83550
C         -1.61250        3.12600       -1.08960
C         -2.39560        3.38660       -2.26430
C         -2.11870        4.45410       -3.12010
C         -1.05200        5.33930       -2.85950
C         -0.27450        5.11870       -1.71320
C          0.32610        3.84530        0.38550
C          3.17640       -0.98860        1.48870
C          3.47590       -2.35150        1.65600
C          3.12790       -3.31010        0.68800
C          2.46510       -2.87570       -0.47320
C          2.14020       -1.52410       -0.68900
C          3.51240        0.02140        2.56580
C          3.44230       -4.77820        0.89660
C          1.34770       -1.10820       -1.90510
H          4.17600        1.39220       -0.71420
H          2.97900        3.92890       -0.62350
H         -3.22550        2.69970       -2.46790
H         -2.74470        4.60520       -4.01110
H         -0.83820        6.18070       -3.52960
H          0.55560        5.80400       -1.47950
H          0.89210        4.76160        0.63500
H         -0.26830        3.55480        1.27140
H          3.97960       -2.67290        2.57730
H          2.16630       -3.61160       -1.23140
H          4.17390        0.82480        2.19070
H          4.01570       -0.46800        3.41730
H          2.59570        0.51170        2.94160
H          3.92550       -4.95130        1.87430
H          2.52260       -5.39160        0.86370
H          4.11960       -5.16780        0.11230
H          1.41850       -1.87090       -2.69940
H          1.68150       -0.13850       -2.31480
H          0.28320       -1.00190       -1.61760
34
Zn_co_ch06
Zn         1.30540        0.29070        1.96460
Cl         0.78580       -1.84390        2.82810
Cl         2.85840        1.58860        3.12370
C          2.08730       -0.03830       -0.04080
N          1.97320        0.89740       -1.03020
N          2.71060       -1.09250       -0.65340
C          2.97950       -0.81990       -1.99310
C          2.49910        0.44240       -2.23260
C          3.09480       -2.32160        0.04240
C         -0.27830        1.96180       -0.87380
C         -0.93880        1.55010        0.33430
C         -2.36490        1.34780        0.25930
C         -3.04110        1.54250       -0.94830
C         -2.38790        1.94660       -2.13770
C         -1.00180        2.14880       -2.06670
C          1.21490        2.16740       -0.84200
H          3.47690       -1.53420       -2.64670
H          2.46770        1.03410       -3.14550
H          4.17610       -2.31480        0.26920
H          2.86090       -3.19210       -0.59420
H          2.51690       -2.38010        0.98230
H         -4.12900        1.37060       -0.97210
H         -0.45990        2.46890       -2.97150
H          1.53710        2.57520        0.13200
H          1.54930        2.84990       -1.64400
O         -0.31820        1.38990        1.48030
C         -3.07330        0.90970        1.51850
H         -4.15180        0.74260        1.33960
H         -2.62640       -0.01980        1.91800
H         -2.96030        1.66260        2.32210
C         -3.15930        2.14730       -3.42710
H         -2.48940        2.46490       -4.24790
H         -3.66820        1.22000       -3.76120
H         -3.94860        2.92090       -3.33120
34
Zn_co_ch07
Zn         1.28070        0.25090        1.99130
Cl         0.48460       -1.88380        2.54300
Cl         2.85590        1.24610        3.37710
C          2.14100        0.04310       -0.00460
N          2.01170        0.95250       -1.01640
N          2.81630       -0.99790       -0.58190
C          3.08400       -0.75330       -1.92620
C          2.56870        0.48750       -2.20220
C          3.14390       -2.23770        0.12700
C         -0.23710        2.02690       -0.86330
C         -0.87290        1.67440        0.38170
C         -2.30530        1.48220        0.36360
C         -3.01410        1.63040       -0.82720
C         -2.37200        1.97690       -2.04150
C         -0.98210        2.17390       -2.04030
C          1.25820        2.22680       -0.86090
H          3.61320       -1.46350       -2.55910
H          2.55730        1.06640       -3.12370
H          3.47760       -1.99270        1.14560
H          3.94980       -2.75680       -0.41820
H          2.25280       -2.88060        0.20790
H         -4.10050        1.46920       -0.82560
H         -0.47590        2.44810       -2.97440
H          1.58370        2.66510        0.09750
H          1.58160        2.88320       -1.68810
O         -0.21070        1.55970        1.50130
C         -2.97300        1.10090        1.66210
H         -4.06080        0.95690        1.53010
H         -2.53330        0.17100        2.06820
H         -2.80720        1.87530        2.43460
C         -3.18200        2.12690       -3.28410
F         -2.42430        2.44520       -4.38250
F         -3.87790        0.98400       -3.61250
F         -4.14560        3.10780       -3.18310
33
Zn_co01
Zn        -0.53100       -1.85740       -1.24400
Cl        -1.29830       -0.79050       -3.12370
Cl        -0.95610       -3.91660       -0.40080
C          1.40990       -1.11050       -0.74970
O         -1.15820        2.14400        0.45900
N          1.61550        0.23440       -0.60100
N          2.57760       -1.67490       -0.33280
C          3.49820       -0.70750        0.06630
C          2.88540        0.50730       -0.09520
C          2.81660       -3.12270       -0.30930
C         -0.67960        0.98760        0.00300
C          0.56840        1.22310       -0.86550
C         -2.41950        1.41390        2.47450
C         -2.49300        2.21970        1.17100
C         -3.59300        1.73100        0.22070
C         -2.61430        3.72280        1.44980
O         -1.17380       -0.13000        0.18330
H          4.49590       -0.96030        0.41860
H          3.24060        1.51880        0.09020
H          1.84450       -3.63460       -0.39760
H          3.28810       -3.40120        0.64690
H          3.47460       -3.41500       -1.14490
H          0.97030        2.23280       -0.70310
H          0.22890        1.11480       -1.91580
H         -3.34560        1.58370        3.05200
H         -2.32350        0.33560        2.27970
H         -1.56780        1.74760        3.09300
H         -4.57600        1.90010        0.69480
H         -3.56980        2.29580       -0.72740
H         -3.49510        0.65810       -0.00330
H         -3.56330        3.92500        1.97540
H         -1.78410        4.07440        2.08650
H         -2.60740        4.30080        0.51010
32
Zn_co02
Zn         1.88020        0.99210       -1.19750
Cl         1.01730        1.33790       -3.26940
Cl         3.71810        1.92870       -0.21550
C          0.50570        0.36230        0.30690
O          2.48070       -1.23250       -1.17350
N         -0.79690        0.61470        0.61530
N          0.90450       -0.55940        1.23610
C         -0.12720       -0.86970        2.11770
C         -1.20630       -0.12100        1.72530
C         -1.62740        1.55930       -0.15280
C          2.26110       -1.12850        1.23070
C          2.51050       -2.02760        0.01440
C         -3.00400        0.99550       -0.50610
O         -2.83460       -0.19970       -1.24130
C          2.61170       -2.00140       -2.38010
C         -4.07260       -0.72190       -1.70680
H         -0.01420       -1.58670        2.92850
H         -2.21170       -0.06270        2.13480
H         -1.06620        1.78240       -1.07570
H         -1.75030        2.49360        0.42540
H          2.98580       -0.29260        1.22840
H          2.39350       -1.71540        2.15460
H          1.74000       -2.82560       -0.04900
H          3.50470       -2.50950        0.12450
H         -3.54220        1.77100       -1.09740
H         -3.61360        0.81610        0.41220
H          3.61230       -2.47280       -2.43340
H          2.47620       -1.29290       -3.21110
H          1.82840       -2.78320       -2.42970
H         -3.83990       -1.64150       -2.26650
H         -4.59120       -0.00830       -2.38240
H         -4.75860       -0.97090       -0.86720
29
Zn_cp01
Zn         0.37580       -0.62350        0.42330
Cl        -0.09390        1.38720        1.47760
Cl         0.49070       -2.72780        1.30030
C          1.83180       -0.27040       -1.12370
P         -1.53850       -0.27080       -1.37970
N          1.66510        0.68380       -2.09420
N          2.96610       -0.93320       -1.49690
C          3.50770       -0.40040       -2.66330
C          2.67950        0.62210       -3.04600
C          3.56340       -2.02920       -0.72400
C          0.51720        1.60850       -2.13650
C         -0.77830        0.92590       -2.63290
H          4.42250       -0.78370       -3.11030
H          2.72660        1.29890       -3.89680
H          2.80530       -2.41790       -0.02400
H          4.43820       -1.66300       -0.16070
H          3.87780       -2.83290       -1.40980
H          0.38380        2.01950       -1.11930
H          0.79620        2.43530       -2.81220
H         -0.56800        0.36840       -3.56440
H         -1.51820        1.70930       -2.88230
C         -2.32190       -1.54410       -2.48610
H         -2.90770       -2.24400       -1.86630
H         -2.98680       -1.09330       -3.24450
H         -1.53380       -2.12630       -2.99410
C         -2.99320        0.67440       -0.72860
H         -3.59620        0.00360       -0.09250
H         -2.61420        1.48820       -0.08750
H         -3.62960        1.08170       -1.53420
43
Zn_cp02
Zn         1.60650       -1.68670       -1.36490
Cl         2.85400       -0.15270       -2.52840
Cl         0.55110       -3.58680       -2.14300
C          2.38250       -2.07050        0.60730
P         -0.42910       -0.52350       -0.10470
N          1.58400       -2.55080        1.61280
N          3.57320       -1.80650        1.22170
C          3.52480       -2.11350        2.57870
C          2.25990       -2.57900        2.82890
C          4.75810       -1.29390        0.52410
C          0.16630       -2.90080        1.41170
C         -0.76260       -1.66870        1.37510
C         -2.08800       -0.34920       -0.89850
C         -0.05690        1.11180        0.66130
C         -2.94380        0.75200       -0.68960
C         -0.70300        1.60180        1.81960
C         -2.48630       -1.38360       -1.77600
C         -3.73640       -1.32290       -2.41020
C         -4.59020       -0.22900       -2.19260
C         -4.18820        0.80950       -1.33700
C          0.92970        1.90790        0.03680
C          1.25680        3.16880        0.56180
C          0.61100        3.64600        1.71240
C         -0.36940        2.86030        2.34170
H          4.38220       -1.98620        3.23620
H          1.79780       -2.93270        3.74820
H          4.44750       -0.92370       -0.46650
H          5.50760       -2.09470        0.40570
H          5.19530       -0.46400        1.10290
H          0.09810       -3.47250        0.46800
H         -0.12480       -3.56870        2.24140
H         -0.66630       -1.09530        2.31420
H         -1.80430       -2.02680        1.30310
H         -2.63380        1.57320       -0.03450
H         -1.47950        1.00670        2.31520
H         -1.80970       -2.22590       -1.97380
H         -4.03460       -2.12950       -3.08930
H         -5.56200       -0.18030       -2.69680
H         -4.84350        1.67290       -1.17330
H          1.45300        1.53280       -0.85280
H          2.02590        3.77440        0.06950
H          0.87140        4.62870        2.12240
H         -0.87830        3.22970        3.23960
35
Zn_cp03
Zn         1.33830       -0.26930       -0.29920
Cl         3.16330       -0.60270        1.05240
Cl         0.64190        1.60890       -1.44820
C          0.84590       -2.05060       -1.41250
P         -0.89500       -0.58420        1.03870
N         -0.43700       -2.32520       -1.81380
N          1.53400       -3.19770       -1.68880
C          0.70720       -4.16770       -2.24930
C         -0.54600       -3.61750       -2.32120
C          2.97740       -3.35580       -1.47260
C         -1.56130       -1.38840       -1.63790
C         -2.10500       -1.35660       -0.19060
C         -1.71030        1.01650        1.54880
C         -1.03100       -1.71410        2.52010
C         -3.10810        0.94110        2.18070
C         -0.12520       -1.25210        3.67590
H          1.07730       -5.14330       -2.55760
H         -1.48360       -4.02400       -2.69500
H          3.30500       -2.60400       -0.73520
H          3.52300       -3.21140       -2.42080
H          3.17910       -4.36660       -1.08310
H         -1.20850       -0.38700       -1.94480
H         -2.35490       -1.70450       -2.33730
H         -2.35060       -2.38230        0.14260
H         -3.04980       -0.78300       -0.19100
H         -0.99650        1.50300        2.24010
H         -1.70230        1.64120        0.63600
H         -0.71320       -2.71340        2.16650
H         -2.08560       -1.80580        2.84420
H         -3.10280        0.36910        3.12550
H         -3.84710        0.47010        1.50710
H         -3.47830        1.95650        2.41080
H          0.92360       -1.15550        3.34360
H         -0.15800       -1.97850        4.50740
H         -0.44540       -0.27430        4.07790
33
Zn_mcc01
Zn         0.61370       -1.16600       -0.84320
Cl         0.26130       -3.45760       -0.45480
Cl         2.54910       -0.38280       -1.92220
C         -0.99740       -0.37360       -2.10440
C          0.47980       -0.29600        1.16870
N         -2.05050       -0.99100       -2.72740
N         -1.08780        0.92790       -2.53040
C         -2.16650        1.11660       -3.38680
C         -2.77690       -0.10220       -3.51440
C         -2.36830       -2.41910       -2.61910
N         -0.50900       -0.57510        2.07820
N          1.32570        0.53520        1.85720
C          0.87730        0.76780        3.15400
C         -0.28870        0.06430        3.29300
C          2.57150        1.09630        1.32350
C         -0.16810        1.99230       -2.11590
C         -1.66930       -1.42700        1.79680
H         -2.39740        2.08250       -3.83110
H         -3.63990       -0.41270       -4.09940
H         -1.62540       -2.90040       -1.96120
H         -2.32780       -2.88490       -3.61800
H         -3.38070       -2.54620       -2.19860
H          1.42660        1.38920        3.85810
H         -0.96320       -0.04320        4.13990
H          2.71540        0.73010        0.29300
H          2.51720        2.19880        1.32680
H          3.42160        0.77220        1.94700
H         -0.47540        2.41140       -1.14200
H         -0.18120        2.79030       -2.87450
H          0.84880        1.56880       -2.04430
H         -2.48250       -0.83510        1.34140
H         -1.35460       -2.23390        1.11220
H         -2.02580       -1.86800        2.74100
57
Zn_mcc02
Zn        -0.02680       -0.51890       -0.02630
Cl        -2.09220       -0.37350        1.07110
Cl         0.53300       -2.62950       -0.94830
C         -0.00720        0.60680       -1.90330
C          1.40650        0.08810        1.55390
N         -1.03930        1.21400       -2.57040
N          1.01960        0.60010       -2.81580
C          0.63450        1.18400       -4.01770
C         -0.66930        1.57120       -3.86320
C         -2.40520        1.40400       -2.01420
N          2.07460       -0.81960        2.33970
N          1.68160        1.29790        2.15610
C          2.48370        1.13450        3.28100
C          2.73020       -0.20420        3.39950
C          1.15740        2.64180        1.78270
C          2.36110        0.00880       -2.57580
C          2.02660       -2.29750        2.16490
C         -3.41310        0.53400       -2.78090
C         -2.78070        2.89380       -2.00590
C          1.47420        2.98840        0.32340
C         -0.33320        2.76480        2.13190
C          3.44890        1.09300       -2.64660
C          2.61390       -1.15670       -3.54360
C          3.43890       -2.89820        2.21520
C          1.06830       -2.91420        3.19530
H          1.30290        1.27400       -4.87090
H         -1.34980        2.05840       -4.55760
H         -2.34580        1.03170       -0.97590
H          2.80550        1.97640        3.89090
H          3.30880       -0.75730        4.13470
H          1.72810        3.33720        2.42670
H          2.30600       -0.40130       -1.55340
H          1.61350       -2.45910        1.15380
H         -3.51110        0.84890       -3.83680
H         -3.10950       -0.52580       -2.75390
H         -4.40600        0.61690       -2.30650
H         -2.87070        3.30550       -3.02870
H         -3.75630        3.02310       -1.50620
H         -2.03180        3.48990       -1.45610
H          0.93400        2.32510       -0.37320
H          1.16620        4.02900        0.11800
H          2.55710        2.90330        0.12410
H         -0.94250        2.02300        1.58600
H         -0.49710        2.59740        3.21050
H         -0.69060        3.77970        1.88120
H          3.53670        1.51470       -3.66480
H          3.23790        1.91990       -1.94750
H          4.42720        0.65520       -2.38150
H          2.63730       -0.81590       -4.59540
H          3.59100       -1.61780       -3.31650
H          1.83370       -1.92470       -3.41850
H          3.89360       -2.83090        3.22150
H          3.38260       -3.96740        1.94840
H          4.11010       -2.40170        1.49280
H          1.42860       -2.76310        4.23030
H          0.06170       -2.47200        3.10190
H          0.98300       -3.99990        3.01550
99
Zn_mcc03
Zn        -0.80970        0.75130       -1.31060
Cl         0.24060        0.54350       -3.25040
Cl        -2.29140       -0.78710       -1.89470
C         -1.02980       -0.14940        0.66850
C         -0.25750        2.84720       -1.52750
N         -0.31240       -1.29160        1.05470
N         -1.76920        0.54980        1.62630
C         -1.67370       -0.38970        2.61390
C         -0.90330       -1.41710        2.28620
C          0.51400       -2.43270        1.03730
N          0.99590        3.32980       -1.12680
N         -1.24040        3.74960       -1.93870
C         -0.44540        4.85900       -1.98080
C          0.79120        4.61170       -1.57080
C         -2.49490        4.04270       -2.44040
C         -2.59030        1.61700        1.95070
C          2.32080        3.34810       -0.63670
C         -3.49740        2.19170        1.02520
C         -4.29640        3.29690        1.36880
C         -4.23920        3.88760        2.63380
C         -3.34150        3.33080        3.55010
C         -2.52440        2.22730        3.23910
C         -3.74810        1.61950       -0.33730
C         -1.54750        1.86040        4.34030
C         -5.10160        5.07470        2.97880
C          1.12840       -3.09260        2.16560
C          1.90680       -4.25760        2.01260
C          2.18580       -4.84190        0.77750
C          1.67640       -4.17070       -0.33270
C          0.89030       -3.00990       -0.21420
C          1.17860       -2.61910        3.61590
C          0.45910       -2.46360       -1.54310
C          3.02710       -6.08690        0.65620
C         -3.21640        5.15630       -1.92420
C         -4.50410        5.45360       -2.40640
C         -5.12970        4.68250       -3.39270
C         -4.41920        3.58630       -3.89330
C         -3.13060        3.26180       -3.43370
C          3.14540        4.46680       -0.23160
C          4.48320        4.29230        0.18090
C          5.11310        3.05410        0.28590
C          4.30930        1.95470       -0.00290
C          2.97360        2.08780       -0.42600
C         -6.50890        5.00840       -3.90610
C         -2.44760        2.11680       -4.11890
C         -2.74220        6.03620       -0.78450
C          2.76140        5.93370       -0.05100
C          6.54610        2.92230        0.73530
C          2.31680        0.75070       -0.63900
H          0.15490       -1.41630        0.21900
H         -2.23400       -0.36840        3.56400
H         -0.88700       -2.27380        2.97240
H          1.31110        2.47710       -0.81090
H         -0.74710        5.84350       -2.38300
H          1.51700        5.41500       -1.70030
H         -5.00800        3.72180        0.64040
H         -3.27610        3.79710        4.54810
H         -3.86650        0.51960       -0.24320
H         -2.92680        1.89800       -1.02180
H         -4.68980        1.98450       -0.80570
H         -1.20300        2.76920        4.88440
H         -2.01490        1.19780        5.10370
H         -0.60270        1.41360        3.95750
H         -5.13380        5.79950        2.13340
H         -4.71970        5.62270        3.87000
H         -6.14080        4.73820        3.19550
H          2.35170       -4.74950        2.89480
H          1.90880       -4.59100       -1.32580
H          1.06890       -1.51730        3.73840
H          0.48340       -3.17910        4.28390
H          2.19310       -2.78490        4.04510
H          1.14830       -2.72470       -2.37790
H          0.47880       -1.36220       -1.49590
H         -0.54810       -2.85610       -1.80070
H          3.87740       -6.06660        1.37510
H          2.40520       -6.98510        0.87040
H          3.45910       -6.19780       -0.36410
H         -5.05700        6.31390       -1.99260
H         -4.89900        2.97830       -4.67900
H          5.10180        5.16160        0.46330
H          4.77120        0.95970        0.11180
H         -6.87610        5.99120       -3.53320
H         -7.23070        4.22560       -3.57980
H         -6.51120        5.05000       -5.01910
H         -2.90220        1.86640       -5.10370
H         -1.39210        2.39060       -4.33260
H         -2.51820        1.21410       -3.48590
H         -2.02840        5.51830       -0.10520
H         -3.59220        6.31790       -0.12220
H         -2.29490        6.98510       -1.15720
H          1.70750        6.08390        0.27870
H          3.30140        6.39280        0.80840
H          3.03470        6.56910       -0.92610
H          6.75770        3.60100        1.59260
H          7.23070        3.18710       -0.10190
H          6.78630        1.88640        1.06550
H          2.83310       -0.09540       -0.13180
H          1.30860        0.74930       -0.18250
H          2.30770        0.50590       -1.71940
29
Zn_mcn01
Zn         0.35830       -0.35340       -1.03930
Cl         2.54140        0.40780       -1.03530
Cl        -1.05120       -0.52490       -2.86710
C          0.10000       -2.07100        0.27620
N         -0.62610        1.32650        0.03350
N         -1.06610       -2.75880        0.50080
N          1.01120       -2.69790        1.08590
C          0.43210       -3.74870        1.78910
C         -0.88490       -3.78560        1.42020
C          0.04580        2.02380        0.97780
C         -1.90340        1.67260       -0.24770
C         -2.56330        2.71000        0.42320
C         -1.87200        3.41940        1.41670
C         -0.54110        3.07390        1.69470
C         -2.35610       -2.44900       -0.12500
C          2.43720       -2.36200        1.17700
H          1.00130       -4.37610        2.47210
H         -1.69450       -4.44560        1.72500
H          1.09050        1.72600        1.12700
H         -2.37610        1.09830       -1.05390
H         -3.59710        2.95820        0.16240
H         -2.36050        4.23630        1.95970
H          0.04050        3.61110        2.45050
H         -2.17490       -1.88660       -1.05680
H         -2.87580       -3.39080       -0.36540
H         -2.98210       -1.85360        0.56250
H          2.63560       -1.46850        0.56160
H          3.04240       -3.20500        0.80240
H          2.70230       -2.16020        2.22850
41
Zn_mcn02
Zn        -0.26790       -0.49170       -1.30800
Cl         1.87180       -0.56560       -2.20830
Cl        -2.20730        0.00360       -2.46010
C         -0.37960       -2.07730        0.18690
N         -0.12330        1.43130       -0.18300
N         -1.23720       -3.12730        0.40680
N          0.58360       -2.23330        1.15460
C          0.33180       -3.33970        1.95670
C         -0.81980       -3.90390        1.48170
C          1.04960        2.09950       -0.08830
C         -1.23540        1.99490        0.34210
C         -1.21200        3.22640        1.00810
C          0.00860        3.90890        1.12230
C          1.15830        3.33830        0.55700
C         -2.47160       -3.46670       -0.36420
C          1.76950       -1.35400        1.32860
C         -3.58540       -2.44220       -0.09950
C         -2.16310       -3.66200       -1.85510
C          1.65580       -0.56220        2.64090
C          3.06640       -2.17040        1.22370
H          0.98080       -3.63520        2.77720
H         -1.37060       -4.78330        1.80900
H          1.90430        1.60920       -0.57190
H         -2.16620        1.43770        0.18860
H         -2.13720        3.64180        1.41980
H          0.06030        4.87610        1.63490
H          2.12770        3.84450        0.60500
H         -2.77930       -4.44080        0.06010
H          1.74300       -0.66840        0.46580
H         -3.33400       -1.46740       -0.55140
H         -3.76020       -2.31900        0.98410
H         -4.52380       -2.79360       -0.56400
H         -1.92140       -2.70240       -2.34220
H         -3.05680       -4.07090       -2.35840
H         -1.32800       -4.36900       -1.99890
H          1.68080       -1.23020        3.52160
H          0.71890        0.01980        2.67390
H          2.50320        0.14000        2.72840
H          3.16350       -2.90660        2.04280
H          3.93200       -1.48820        1.28110
H          3.11180       -2.69670        0.25640
61
Zn_mcn03
Zn        -0.00560        0.00270        0.75660
Cl        -0.27170        1.91950        2.06240
Cl        -0.93250       -2.10560        0.99260
C         -0.14430        0.66550       -1.30450
N          2.04560       -0.53090        1.40370
N         -1.31090        0.80240       -2.01280
N          0.81980        1.10440       -2.17920
C          0.26810        1.50830       -3.39800
C         -1.08160        1.31780       -3.28990
C          2.45430       -1.82080        1.35120
C          2.86070        0.38680        1.97160
C          4.11670        0.05290        2.49400
C          4.54520       -1.28060        2.42700
C          3.69830       -2.23530        1.84540
C         -2.63780        0.49110       -1.51520
C          2.23710        1.17380       -1.89660
C         -3.16910       -0.79570       -1.75540
C         -4.47140       -1.05500       -1.29530
C         -5.22430       -0.08790       -0.60720
C         -4.65750        1.18330       -0.40290
C         -3.36240        1.50310       -0.84710
C         -2.36070       -1.87930       -2.43340
C         -2.77520        2.87530       -0.59760
C         -6.60310       -0.41350       -0.07170
C          3.05690        0.08330       -2.26120
C          4.43760        0.19550       -2.01770
C          4.99810        1.34340       -1.42970
C          4.14260        2.40650       -1.08590
C          2.75460        2.34980       -1.30610
C          2.47740       -1.16950       -2.88320
C          1.85410        3.49820       -0.90720
C          6.48560        1.43290       -1.15730
H          0.88450        1.89210       -4.20790
H         -1.89610        1.50020       -3.98710
H          1.72710       -2.52370        0.92780
H          2.45580        1.40360        2.02440
H          4.73740        0.82760        2.95560
H          5.52010       -1.57440        2.83260
H          3.98470       -3.29020        1.78510
H         -4.89910       -2.05160       -1.46290
H         -5.23570        1.95320        0.12380
H         -1.83880       -1.51460       -3.33630
H         -1.59950       -2.26750       -1.73010
H         -3.00900       -2.72180       -2.72750
H         -3.55940        3.57560       -0.26400
H         -2.30450        3.29540       -1.50490
H         -1.99950        2.83540        0.19250
H         -7.06710       -1.24860       -0.62450
H         -6.54950       -0.71240        0.99280
H         -7.27920        0.45800       -0.13160
H          5.09190       -0.64040       -2.29650
H          4.56550        3.31280       -0.63300
H          1.90200       -0.94820       -3.80070
H          1.78430       -1.68020       -2.18940
H          3.27870       -1.87950       -3.14780
H          2.45240        4.37690       -0.61260
H          1.18490        3.80070       -1.73260
H          1.20940        3.22060       -0.04970
H          7.04930        0.67820       -1.73180
H          6.70430        1.26490       -0.08530
H          6.88610        2.42950       -1.41620
25
Zn_mnn01
Zn        -1.39610        0.31620        1.52990
Cl        -3.22130       -0.62840        0.53460
Cl        -0.91320        1.60040        3.35520
N         -0.48020        1.44270       -0.10840
N         -0.02370       -1.37260        1.73710
C         -0.21980       -2.51600        1.04020
C         -0.84070        1.19530       -1.38980
C          0.44270        2.40100        0.14020
C          1.05600        3.13090       -0.88480
C          0.69400        2.86420       -2.21370
C         -0.27450        1.88220       -2.47060
C          1.02450       -1.29690        2.59110
C          1.92600       -2.35420        2.76200
C          1.73090       -3.53470        2.02890
C          0.63610       -3.61770        1.15570
H         -1.10420       -2.52300        0.39160
H         -1.61770        0.43200       -1.51850
H          0.66630        2.57210        1.20010
H          1.79850        3.89650       -0.63970
H          1.15550        3.41890       -3.03830
H         -0.59460        1.65060       -3.49110
H          1.10640       -0.35780        3.15150
H          2.75970       -2.25070        3.46330
H          2.41870       -4.38000        2.14190
H          0.43920       -4.52350        0.57400
19
Zn_nn_ch01
Zn         0.70570        0.05400       -0.37270
Cl         0.43620        0.78590       -2.57940
Cl         2.87600       -0.56060        0.24670
N         -0.17950        1.43560        0.95040
N         -0.64160       -1.47380        0.16090
C         -1.22680        1.12500        1.70120
C         -1.90760       -0.11160        1.76790
C         -1.60930       -1.29020        1.04730
C          0.36450        2.78080        1.04860
C         -0.50740       -2.78440       -0.45540
H         -1.62490        1.92820        2.35950
H         -2.75730       -0.16340        2.45670
H         -2.26610       -2.16250        1.25860
H         -0.21610        3.41900        1.75190
H          1.41630        2.74880        1.39660
H          0.36470        3.26780        0.05370
H         -1.25270       -3.51220       -0.06300
H          0.50720       -3.18970       -0.27360
H         -0.63780       -2.71110       -1.55350
25
Zn_nn_ch02
Zn        -0.29280       -0.67400       -4.07270
Cl        -2.02820        0.49470       -5.13410
Cl         0.55050       -2.46830       -5.32860
N         -0.83580       -1.26940       -2.14290
N          1.22810        0.59550       -3.40220
C         -1.93360       -2.22230       -2.00930
H         -2.78960       -1.81630       -1.42700
H         -1.62340       -3.17310       -1.52330
H         -2.30940       -2.47360       -3.01490
C          1.99940        1.32560       -4.40350
H          3.08320        1.07740       -4.38120
H          1.91100        2.42930       -4.29790
H          1.62260        1.06040       -5.40530
C         -0.22780       -0.81720       -1.04350
C          0.84970        0.11090       -1.03490
H          1.22460        0.36740       -0.03860
C          1.51950        0.75960       -2.10770
C         -0.69530       -1.31070        0.32500
H         -0.60720       -2.41140        0.40610
H         -1.76180       -1.06740        0.49660
H         -0.10570       -0.85880        1.13950
C          2.65100        1.70680       -1.70990
H          3.61410        1.39150       -2.15590
H          2.77720        1.74620       -0.61540
H          2.45930        2.73570       -2.07120
39
Zn_nn_ch03
Zn        -0.29800       -1.76710       -2.26230
Cl        -0.75870       -3.49680       -0.73380
Cl         0.40360       -2.38930       -4.37580
N          0.97270       -0.32840       -1.36360
N         -1.92770       -0.40660       -2.32030
C          0.50660        0.78810       -0.78720
C         -0.84350        1.21870       -0.85790
H         -1.06230        2.11330       -0.26530
C         -1.95230        0.71500       -1.58600
C          1.42550        1.66950        0.06250
H          2.20430        1.07010        0.56270
H          0.83550        2.19890        0.83000
H          1.94350        2.43600       -0.54340
C         -3.24540        1.52150       -1.44170
H         -4.12880        0.86080       -1.44640
H         -3.37950        2.24640       -2.26530
H         -3.23280        2.09150       -0.49730
C          5.07040       -1.44550       -1.45410
H          6.12250       -1.75360       -1.49290
C          4.68430       -0.17770       -1.91850
H          5.43460        0.50870       -2.33220
C          3.33900        0.21440       -1.88030
H          3.03450        1.18550       -2.28630
C          2.34860       -0.65490       -1.36370
C          2.74280       -1.94000       -0.91840
H          1.97080       -2.62590       -0.54700
C          4.08900       -2.32310       -0.96190
H          4.37210       -3.32360       -0.61190
C         -5.16350       -1.66890       -4.77070
H         -5.98760       -2.01090       -5.40900
C         -4.63330       -2.51210       -3.77930
H         -5.04290       -3.52020       -3.63910
C         -3.57650       -2.08450       -2.96510
H         -3.14940       -2.74390       -2.19890
C         -3.02940       -0.78840       -3.12320
C         -3.55040        0.04450       -4.14220
H         -3.08970        1.02350       -4.31530
C         -4.60930       -0.39110       -4.95070
H         -4.99250        0.26870       -5.74000
18
Zn_nn01
Zn         0.15440       -1.35540       -0.16230
Cl         0.45530       -2.30050       -2.18830
Cl         0.02200       -1.91030        2.01540
N         -1.22920        0.38890       -0.56160
N          1.16390        0.66410       -0.31950
C         -0.10900        1.36370       -0.63670
C         -2.28340        0.69740        0.43230
H         -1.64520        0.25510       -1.49100
C          1.89590        1.17000        0.86510
H          1.77920        0.65660       -1.14170
H         -0.27590        2.17640        0.09170
H         -0.05650        1.80410       -1.64650
H         -2.73080        1.70020        0.28460
H         -1.85500        0.62730        1.44520
H         -3.07630       -0.06280        0.35150
H          2.12390        2.25220        0.79710
H          2.84000        0.61090        0.96050
H          1.29820        0.97170        1.76940
24
Zn_nn02
Zn         0.25020       -1.36240        0.27190
Cl         0.59670       -2.72160       -1.49600
Cl         0.03220       -1.54080        2.51810
N         -1.11330        0.33750       -0.34070
N          1.29470        0.61450       -0.09600
C         -0.01600        1.32370       -0.12470
C         -2.27040        0.59160        0.55340
C         -1.55810        0.26000       -1.75400
C          2.16260        1.09820        1.00650
C          2.01920        0.67500       -1.38920
H         -0.17080        1.78960        0.86080
H         -0.02950        2.12110       -0.89680
H         -2.74040        1.57680        0.35250
H         -1.93870        0.53320        1.60240
H         -3.02250       -0.19690        0.38870
H         -2.01290        1.21580       -2.08860
H         -2.30250       -0.54620       -1.84860
H         -0.71230       -0.00010       -2.40730
H          1.64900        0.94260        1.96880
H          2.43130        2.16810        0.88340
H          3.08920        0.50150        1.01290
H          2.30810        1.71630       -1.64320
H          1.40040        0.25240       -2.19430
H          2.92730        0.05580       -1.31730
15
Zn_nn03
Zn         0.00000        0.00000        0.42940
Cl         2.10800       -0.25690        1.21010
Cl        -2.10800        0.25690        1.21010
N         -0.16550       -1.43180       -1.26630
H         -0.91120       -2.11910       -1.10400
H          0.72110       -1.94830       -1.34190
N          0.16550        1.43180       -1.26630
H         -0.72110        1.94830       -1.34190
H          0.91120        2.11910       -1.10400
C          0.43230        0.63640       -2.49160
C         -0.43230       -0.63640       -2.49160
H          0.24650        1.20700       -3.42230
H          1.50200        0.36100       -2.47580
H         -0.24650       -1.20700       -3.42230
H         -1.50200       -0.36100       -2.47580
21
Zn_nn04
Zn         0.49710       -0.51140        0.95550
Cl         2.66440       -0.64670        0.34120
Cl        -0.84470       -1.06500        2.71050
N         -0.31770        1.49290        0.46520
N         -0.68450       -1.09010       -0.82980
H         -1.07720        1.59240        1.15490
C         -0.90810        1.37640       -0.88960
C         -1.63300        0.03110       -1.04440
C         -1.35120       -2.41170       -0.73780
C          0.62430        2.62760        0.60440
H         -0.01030       -1.10730       -1.60890
H         -0.07520        1.44300       -1.61600
H         -1.60260        2.21230       -1.11300
H         -2.42510       -0.06560       -0.27850
H         -2.12290       -0.02440       -2.03830
H         -2.01730       -2.60650       -1.60160
H         -0.57900       -3.19650       -0.69280
H         -1.93460       -2.44680        0.19690
H          0.17430        3.59200        0.29550
H          0.94090        2.69810        1.65730
H          1.51770        2.42540       -0.00890
27
Zn_nn05
Zn         0.00000        0.00000        0.65690
Cl         1.79850        1.03870        1.56890
Cl        -1.79850       -1.03870        1.56890
N         -0.72710        1.31300       -1.02470
N          0.72710       -1.31300       -1.02470
C         -0.01890        0.76820       -2.21620
C          0.01890       -0.76820       -2.21620
H         -0.49710        1.12500       -3.15400
H          1.00870        1.17160       -2.20290
H          0.49710       -1.12500       -3.15400
H         -1.00870       -1.17160       -2.20290
C         -2.19970        1.20440       -1.17420
H         -2.49850        0.15260       -1.29940
H         -2.68370        1.57070       -0.25560
H         -2.55540        1.79890       -2.04280
C         -0.34760        2.73060       -0.79980
H         -0.59320        3.35900       -1.68190
H         -0.89710        3.11480        0.07470
H          0.72980        2.79160       -0.57850
C          0.34760       -2.73060       -0.79980
H         -0.72980       -2.79160       -0.57850
H          0.59320       -3.35900       -1.68190
H          0.89710       -3.11480        0.07470
C          2.19970       -1.20440       -1.17420
H          2.55540       -1.79890       -2.04280
H          2.49850       -0.15260       -1.29940
H          2.68370       -1.57070       -0.25560
25
Zn_nn06
Zn         0.52890       -0.68710        0.90300
Cl        -0.70300       -0.03660        2.68820
Cl         2.32000       -2.06600        0.70600
N         -0.89570       -1.16090       -0.78360
N          0.94330        1.12230       -0.38070
C         -0.71850       -0.08720       -1.74060
C         -2.31030       -1.17800       -0.30840
C          2.37920        1.17800       -0.78330
C          0.11550        0.94890       -1.55770
C         -0.55030       -2.46420       -1.42300
C          0.55540        2.38080        0.32190
H         -1.32030       -0.15120       -2.66200
H         -2.53390       -0.23300        0.20860
H         -2.43100       -2.00140        0.41360
H         -3.01330       -1.32510       -1.15440
H          2.66810        0.21910       -1.23830
H          2.99310        1.32930        0.11900
H          2.56130        2.01070       -1.49410
H          0.19650        1.73160       -2.32960
H         -1.18350       -2.65090       -2.31520
H          0.51290       -2.46210       -1.70530
H         -0.71050       -3.27040       -0.68910
H          1.20060        2.50520        1.20620
H          0.67180        3.26130       -0.34370
H         -0.48690        2.30200        0.66480
23
Zn_nn07
Zn         0.00000        0.00000       -1.33330
Cl        -2.04950        0.00000       -2.27900
Cl         2.04950        0.00000       -2.27900
C          0.00000        2.91350        2.73400
C          0.00000        1.51600        2.82490
C          0.00000        0.74710        1.64490
N          0.00000        1.34520        0.42440
C          0.00000        2.68870        0.34030
C          0.00000        3.51810        1.46990
H          0.00000        3.52120        3.64510
H          0.00000        1.03700        3.80750
H          0.00000        3.10450       -0.67320
H          0.00000        4.60590        1.35440
C          0.00000       -2.91350        2.73400
C          0.00000       -1.51600        2.82490
C          0.00000       -0.74710        1.64490
N          0.00000       -1.34520        0.42440
C          0.00000       -2.68870        0.34030
C          0.00000       -3.51810        1.46990
H          0.00000       -3.52120        3.64510
H          0.00000       -1.03700        3.80750
H          0.00000       -3.10450       -0.67320
H          0.00000       -4.60590        1.35440
25
Zn_nn08
Zn        -0.07240       -3.34780        0.00470
Cl        -0.20020       -4.29290       -2.04130
Cl         0.03670       -4.28150        2.05770
N         -1.42180       -1.57870        0.07040
N          1.31390       -1.60720       -0.05950
C         -3.52580       -0.39750        0.17150
C         -2.87170        0.82800        0.14740
C         -1.45350        0.86700        0.08290
C         -0.76520       -0.38330        0.04520
C         -2.75790       -1.58400        0.13150
C         -0.70030        2.09240        0.05480
C          0.67150        2.07830       -0.00770
C          0.68330       -0.39830       -0.02250
C          2.64970       -1.64050       -0.12040
C          3.44290       -0.47030       -0.14870
C          2.81540        0.76880       -0.11240
C          1.39830        0.83740       -0.04780
H         -4.61690       -0.45880        0.22070
H         -3.43490        1.76780        0.17730
H         -3.23670       -2.56890        0.14870
H         -1.24540        3.04270        0.08470
H          1.23680        3.01700       -0.02830
H          3.10730       -2.63530       -0.14710
H          4.53240       -0.55460       -0.19830
H          3.39860        1.69680       -0.13270
25
Zn_nn09
Zn         0.05280       -0.11900       -2.01960
Cl        -1.31000       -1.58440       -3.09860
Cl         1.56710        1.39860       -2.72440
N         -1.32700        0.74550       -0.46180
N          0.75150       -1.09720       -0.16200
C         -1.50230       -0.40050        0.46410
C         -2.62880        1.12900       -1.06020
C          1.94400       -1.68390        0.07350
C         -0.17020       -1.03740        0.83000
C         -0.70550        1.90360        0.22490
C          0.08600       -1.57270        2.10150
C          1.31950       -2.19450        2.34220
C          2.26850       -2.25270        1.31090
H         -2.11690       -1.15370       -0.06690
H         -2.05050       -0.10060        1.38340
H         -3.36510        1.41660       -0.28030
H         -3.01470        0.28430       -1.65410
H         -2.47000        1.98790       -1.73230
H          2.65050       -1.68420       -0.76350
H         -1.37170        2.30610        1.01730
H          0.25200        1.59940        0.67700
H         -0.49410        2.68910       -0.51740
H         -0.67290       -1.49860        2.88750
H          1.54040       -2.62020        3.32710
H          3.24570       -2.72120        1.46010
20
Zn_nn10
Zn         0.10870       -2.10240       -0.12160
Cl        -0.95320       -3.40920        1.37750
Cl         0.74340       -2.44270       -2.25880
N         -0.68740       -0.02400        0.06920
N          1.73660       -0.99830        0.91740
C         -2.25830        1.79190       -0.15500
C         -1.87370        0.45300       -0.34350
C          0.17750        0.81900        0.69420
C         -0.13050        2.17100        0.92170
C         -1.37040        2.66370        0.48890
C          1.46730        0.24330        1.12630
C          3.01030       -1.55860        1.34320
H         -3.23530        2.13360       -0.50910
H         -2.53410       -0.26530       -0.84100
H          0.59200        2.81930        1.42890
H         -1.63710        3.71300        0.65300
H          2.18200        0.92050        1.63090
H          3.66400       -0.81460        1.83810
H          2.80990       -2.39740        2.03310
H          3.52170       -1.97510        0.45730
27
Zn_nn11
Zn         2.25950        0.16260        0.57190
Cl         3.12550        2.03660        1.48420
Cl         2.83120       -2.01270        0.81980
N          1.86800        0.65720       -1.55110
N          0.04270        0.28950        0.46550
C          2.39060        1.19040       -3.84370
C          2.76320        0.82920       -2.53750
C          0.54540        0.83730       -1.82100
C          0.09150        1.19660       -3.10390
C          1.03090        1.37630       -4.12860
C         -0.39200        0.63100       -0.70950
C         -0.82870        0.09790        1.56150
C         -2.03530        0.81890        1.71930
C         -2.84150        0.57820        2.83700
C         -2.45910       -0.37910        3.79400
C         -1.25270       -1.08300        3.64240
C         -0.42550       -0.83720        2.54080
H          3.15650        1.32150       -4.61360
H          3.81280        0.67360       -2.26600
H         -0.97990        1.33180       -3.28600
H          0.70380        1.65750       -5.13510
H         -1.46780        0.75010       -0.92280
H         -2.30630        1.59940        1.00000
H         -3.76520        1.15140        2.97130
H         -3.09430       -0.56180        4.66740
H         -0.94600       -1.81970        4.39210
H          0.51790       -1.37920        2.40130
37
Zn_nn12
Zn        -1.83070        1.37190       -0.51610
Cl        -3.56800        1.72300        0.90550
Cl        -1.47640        2.21430       -2.60020
N          0.08190        1.50270        0.62560
N         -1.34350       -0.80720       -0.54280
C          2.65020       -1.40400        1.20460
C          1.94170       -0.05560        1.42450
C          0.78170        0.18040        0.42520
C         -0.22520       -1.00780        0.45090
C          0.50920       -2.36080        0.28070
C          1.63740       -2.55550        1.30940
C          0.87630        2.62340        0.05750
C         -0.24900        1.79960        2.04480
C         -0.97810       -1.17100       -1.93810
C         -2.56150       -1.55700       -0.13770
H          3.46070       -1.52300        1.94730
H          3.13070       -1.42230        0.20540
H          1.54180       -0.04100        2.45670
H          2.66520        0.77760        1.35260
H          1.20960        0.23550       -0.59540
H         -0.71930       -1.00700        1.44260
H          0.95400       -2.41030       -0.73180
H         -0.22230       -3.18750        0.34700
H          2.13050       -3.53050        1.14020
H          1.21580       -2.58720        2.33460
H          1.86470        2.72500        0.55070
H          1.00670        2.47300       -1.02600
H          0.31790        3.56310        0.20200
H          0.65470        2.03070        2.64280
H         -0.93180        2.66340        2.07310
H         -0.78400        0.95160        2.50040
H         -0.86120       -2.26540       -2.06440
H         -1.76990       -0.81180       -2.61390
H         -0.04780       -0.66270       -2.23600
H         -2.38000       -2.65020       -0.08860
H         -2.91670       -1.18830        0.83780
H         -3.35720       -1.36890       -0.87720
22
Zn_nn13
Zn         1.45320        0.27090        0.15720
Cl         2.13220        1.70790        1.78010
Cl         2.37380       -0.57720       -1.71530
N         -0.64710        0.97040       -0.25220
N          0.22480       -1.22660        1.23760
C         -1.38510        0.57810        0.97050
C         -1.18450        0.26280       -1.44120
C          0.66570       -2.50900        1.77590
C         -0.94770       -0.77540        1.49260
C         -0.69460        2.43970       -0.45110
H         -2.48530        0.58810        0.80920
H         -1.16460        1.32210        1.76240
H         -2.22910        0.57440       -1.65380
H         -1.15660       -0.82490       -1.26990
H         -0.54540        0.48220       -2.31060
H         -0.12640       -3.02630        2.35140
H          0.99930       -3.14840        0.94070
H          1.53860       -2.33240        2.42860
H         -1.66010       -1.33380        2.13070
H         -1.73850        2.80660       -0.54370
H         -0.14900        2.68810       -1.37590
H         -0.19240        2.93430        0.39630
17
Zn_nn14
Zn         1.36580        0.26020        1.03570
Cl         3.24730       -0.97820        0.97090
Cl         0.64260        1.95500        2.33510
N          0.77710        0.71480       -1.07720
N         -0.38850       -1.07930        0.67110
C         -0.23880        0.01900       -1.45660
C         -0.86580       -0.94060       -0.51770
C          1.40560        1.66300       -1.98190
C         -0.99300       -2.01220        1.60760
H         -0.67080        0.10890       -2.46990
H         -1.73990       -1.51610       -0.87300
H          1.37150        2.66320       -1.51410
H          2.47030        1.38810       -2.08730
H          0.92360        1.69560       -2.97760
H         -0.22130       -2.73710        1.92280
H         -1.29940       -1.44950        2.50750
H         -1.86330       -2.54810        1.18330
31
Zn_nn15
C          1.06600       -2.04670        0.82760
C          2.30010       -2.13320        0.17080
C          2.63650       -1.18430       -0.80510
C          1.73450       -0.15840       -1.11460
C          0.48730       -0.06530       -0.46810
C          0.14750       -1.02530        0.51980
N         -0.44610        1.01720       -0.79280
N         -1.13770       -0.93670        1.22000
Zn        -2.44650        0.35180       -0.05210
Cl        -3.31890       -0.99620       -1.66020
Cl        -3.37500        1.98520        1.21100
C         -0.03350        2.29190       -0.13600
C         -0.59840        1.23220       -2.26030
C         -0.96420       -0.34110        2.57720
C         -1.83030       -2.25240        1.33220
H          0.81090       -2.78970        1.59020
H          2.99570       -2.94100        0.42290
H          3.59840       -1.24000       -1.32620
H          2.00300        0.58070       -1.87640
H          0.09050        2.13150        0.94550
H          0.92210        2.66370       -0.55790
H         -0.82670        3.04260       -0.28100
H         -0.90370        0.28810       -2.73550
H         -1.39710        1.97650       -2.41670
H          0.33000        1.61770       -2.72570
H         -0.44600        0.62620        2.49700
H         -1.95730       -0.16110        3.01890
H         -0.37460       -1.01360        3.23260
H         -1.95440       -2.68400        0.32780
H         -1.28680       -2.95720        1.99180
H         -2.82980       -2.07790        1.76430
31
Zn_nn16
Zn        -0.00340        0.03710        0.13790
Cl         0.17960        2.15540        0.90900
Cl        -0.19830       -1.93010        1.23430
N          1.38850       -0.04830       -1.60670
N         -1.38210       -0.06220       -1.60960
C          0.73430       -0.08880       -2.73410
C         -0.72420       -0.08560       -2.73650
H          1.24860       -0.09630       -3.70900
H         -1.23570       -0.12190       -3.71190
C          5.59500       -0.05160       -1.33410
C          4.80800        0.60760       -0.37420
C          3.41230        0.58250       -0.46910
C          2.79450       -0.08020       -1.55560
C          3.58650       -0.75260       -2.51750
C          4.97950       -0.73760       -2.39780
H          6.68680       -0.04720       -1.24690
H          5.28100        1.13920        0.45810
H          2.78430        1.11590        0.25470
H          3.11030       -1.33000       -3.31740
H          5.59060       -1.27890       -3.12830
C         -5.58610        0.00510       -1.31870
C         -4.97350        0.58520       -2.44550
C         -3.58150        0.57820       -2.57370
C         -2.78870       -0.01310       -1.55970
C         -3.40410       -0.56830       -0.41240
C         -4.79910       -0.56920       -0.30640
H         -6.67740        0.01650       -1.22450
H         -5.58610        1.05950       -3.21990
H         -3.10580        1.07560       -3.42570
H         -2.77140       -1.02620        0.35790
H         -5.27290       -1.01370        0.57510
45
Zn_nn17
Zn         0.00080        0.10870        0.18550
Cl         0.10960        2.17140        1.10440
Cl        -0.13440       -1.93360        1.14500
N          1.35840        0.06490       -1.55080
N         -1.35400        0.10190       -1.55240
C          3.48250        0.02700       -2.68930
C          2.87570       -0.00680       -3.95030
C          1.44130        0.04240       -4.00110
C          0.72940        0.05530       -2.76190
C          2.69550        0.06670       -1.52300
C          0.69050        0.13790       -5.22310
C         -0.68350        0.13680       -5.22330
C         -0.72410        0.06760       -2.76170
C         -2.69160        0.10480       -1.52600
C         -3.47790        0.04640       -2.69230
C         -2.86910       -0.00010       -3.95270
C         -1.43500        0.04810       -4.00090
H          4.57280       -0.01270       -2.60270
H          3.15860        0.08550       -0.53030
H          1.23280        0.23770       -6.16760
H         -1.22660        0.23560       -6.16770
H         -3.15500        0.13230       -0.53360
H         -4.56760       -0.00420       -2.60560
C          5.35750       -0.25310       -7.46730
C          5.62680        0.70300       -6.47490
C          4.81540        0.78180       -5.33490
C          3.71380       -0.08920       -5.17450
C          3.45440       -1.05210       -6.17830
C          4.27360       -1.13300       -7.31300
H          5.99230       -0.31380       -8.35820
H          6.46840        1.39490       -6.59090
H          5.01590        1.54050       -4.56980
H          2.62500       -1.75620       -6.05050
H          4.06840       -1.89120       -8.07690
C         -5.35890       -0.35220       -7.45480
C         -5.64750        0.61020       -6.47340
C         -4.83090        0.72670       -5.34070
C         -3.70300       -0.10940       -5.17710
C         -3.42360       -1.07690       -6.17040
C         -4.24910       -1.19780       -7.29680
H         -5.99960       -0.44560       -8.33870
H         -6.50950        1.27600       -6.59150
H         -5.04680        1.49120       -4.58550
H         -2.57980       -1.76270       -6.03570
H         -4.02840       -1.96210       -8.05030
37
Zn_nn18
Zn        -0.00820        0.00070        0.16390
Cl         0.07500        2.01380        1.19890
Cl        -0.05790       -2.06040        1.10810
N          1.34860        0.01030       -1.57340
N         -1.35770        0.01450       -1.57870
C          3.50510        0.00980       -2.69250
C          2.88580       -0.00110       -3.95640
C          1.45310       -0.00500       -4.01270
C          0.72470        0.00230       -2.78400
C          2.68340        0.01440       -1.54030
C          0.69070       -0.01580       -5.23300
C         -0.68320       -0.01860       -5.23580
C         -0.72910        0.00290       -2.78830
C         -2.69100        0.01160       -1.55380
C         -3.51110       -0.00220       -2.70940
C         -2.88940       -0.01270       -3.97090
C         -1.45300       -0.00970       -4.01910
H          3.13790        0.02290       -0.54220
H          1.21270       -0.02200       -6.19380
H         -1.19870       -0.02780       -6.19970
H         -3.15110        0.01840       -0.55780
C          5.00730        0.01670       -2.53220
H          5.29260        0.02600       -1.46740
H          5.47140       -0.87330       -2.99740
H          5.46430        0.90340       -3.01080
C          3.75000       -0.00740       -5.19580
H          3.17480       -0.01740       -6.13210
H          4.40810        0.88160       -5.21690
H          4.41550       -0.89100       -5.20250
C         -3.73340       -0.02800       -5.22850
H         -3.13670       -0.03490       -6.15110
H         -4.38650       -0.91930       -5.25290
H         -4.39330        0.85770       -5.27050
C         -5.01130       -0.00580       -2.50420
H         -5.57440       -0.01790       -3.44890
H         -5.32250       -0.88870       -1.91580
H         -5.32980        0.88640       -1.93410
31
Zn_nn19
Zn        -0.00590        0.00540        0.15100
Cl         0.06010        2.02000        1.18680
Cl        -0.03410       -2.04430        1.12170
N          1.36380        0.00730       -1.56750
N         -1.36940        0.00800       -1.56780
C          3.47660        0.00300       -2.71090
C          2.84200       -0.00590       -3.94470
C          1.42340       -0.00840       -4.01180
C          0.72310       -0.00060       -2.76970
C          2.70770        0.00860       -1.51430
C          0.68490       -0.01870       -5.24560
C         -0.68930       -0.02170       -5.24570
C         -0.72760       -0.00130       -2.76970
C         -2.71290        0.00220       -1.51560
C         -3.48160       -0.01070       -2.71170
C         -2.84650       -0.01780       -3.94540
C         -1.42790       -0.01380       -4.01190
H          4.56890        0.00510       -2.64350
H          3.42550       -0.01140       -4.87300
H          1.24180       -0.02440       -6.18970
H         -1.24620       -0.03040       -6.18970
H         -4.57390       -0.01490       -2.64420
H         -3.42960       -0.02720       -4.87400
C         -3.34310        0.00620       -0.14900
H         -4.44320       -0.00070       -0.20820
H         -3.01040       -0.87860        0.42610
H         -3.02220        0.90000        0.41860
C          3.33750        0.01480       -0.14770
H          4.43740        0.03200       -0.20590
H          2.99340        0.89580        0.42640
H          3.02330       -0.88160        0.41990
29
Zn_nn20
Zn        -0.00450        0.00610        0.13140
Cl         0.04040        2.02340        1.16660
Cl        -0.02950       -2.04130        1.10970
N          1.34550        0.00710       -1.58850
N         -1.34670        0.00820       -1.58910
C          2.90740       -0.00080       -3.88810
C          1.51090        0.00080       -3.98810
C          0.74720        0.00420       -2.80700
C          2.69560        0.00350       -1.47460
C          3.50910        0.00030       -2.62470
H          3.52160       -0.00340       -4.79510
H          1.03340       -0.00140       -4.97100
H          4.59810       -0.00170       -2.51820
C         -2.90810       -0.00720       -3.88850
C         -1.51170       -0.00340       -3.98850
C         -0.74770        0.00390       -2.80740
C         -2.69640        0.00320       -1.47540
C         -3.51000       -0.00440       -2.62490
H         -3.52250       -0.01280       -4.79540
H         -1.03340       -0.00650       -4.97120
H         -4.59900       -0.00830       -2.51820
C         -3.25580        0.00310       -0.07750
H         -4.35760       -0.00150       -0.08210
H         -2.89810       -0.88520        0.47730
H         -2.90630        0.89470        0.47680
C          3.25610        0.00070       -0.07720
H          4.35780        0.00800       -0.08230
H          2.89450        0.88430        0.48240
H          2.90800       -0.89480        0.47200
29
Zn_nn21
Zn        -0.00310        0.00170        0.16630
Cl         0.08500        2.02480        1.17810
Cl        -0.07030       -2.06330        1.09560
N          1.34200        0.00710       -1.57720
N         -1.34550        0.02030       -1.57700
C          2.92130        0.00670       -3.91480
C          1.51440        0.00740       -3.97730
C          0.74660        0.00740       -2.79990
C          2.68550        0.00630       -1.50410
C          3.50800        0.00590       -2.63690
H          1.02710        0.00840       -4.95700
H          3.10980        0.00770       -0.49420
H          4.59660        0.00560       -2.51970
C         -2.92420       -0.00030       -3.91540
C         -1.51720       -0.00060       -3.97710
C         -0.74950        0.00970       -2.79970
C         -2.68920        0.02060       -1.50490
C         -3.51140        0.01090       -2.63780
H         -1.02930       -0.01010       -4.95640
H         -3.11430        0.02620       -0.49540
H         -4.59990        0.01110       -2.52070
C          3.75350        0.00810       -5.17630
H          4.83230        0.00830       -4.95050
H          3.53420       -0.88030       -5.79650
H          3.53370        0.89780       -5.79460
C         -3.75580       -0.01310       -5.17720
H         -4.83470       -0.01170       -4.95190
H         -3.53660        0.86980       -5.80530
H         -3.53540       -0.90820       -5.78740
19
Zn_nn22
Zn         0.04690        0.02430        0.09380
Cl         0.06760        2.04890        1.10000
Cl        -0.15130       -2.07680        0.91060
N          1.60960        0.01740       -1.52640
N         -1.16190        0.12850       -1.78670
C         -0.38730        0.12050       -2.88100
C          1.05360        0.06620       -2.74560
H         -0.85340        0.17380       -4.97780
N         -1.16720        0.16950       -4.00920
H          1.90320        0.09230       -4.71940
N          2.03060        0.06150       -3.70960
C         -2.46500        0.18390       -2.22260
C          2.97180       -0.01920       -1.71360
C          3.25940        0.00700       -3.06600
C         -2.49480        0.21040       -3.60470
H         -3.31150        0.25300       -4.32150
H         -3.29640        0.19980       -1.52040
H          4.19590       -0.00850       -3.61900
H          3.65830       -0.06310       -0.87010
31
Zn_nn23
Zn         1.39590        0.59710       -4.62140
Cl         3.57990        0.09570       -4.92780
Cl        -0.26280        1.63190       -5.79350
N          1.08380        1.39880       -2.58510
N          0.31250       -1.12620       -3.76260
H          0.41010        2.16120       -2.75780
H         -0.34710       -1.40510       -4.50180
C         -1.20540       -0.05120        0.21690
C         -0.44050        0.99770       -0.61230
C          0.40010        0.36640       -1.74560
C         -0.48930       -0.54040       -2.64040
C         -1.25610       -1.58350       -1.79810
C         -2.09590       -0.91820       -0.69040
C          2.31020        1.96830       -1.97350
C          1.18200       -2.28300       -3.43420
H         -0.48300       -0.69770        0.75530
H         -1.81160        0.45470        0.99090
H         -1.17080        1.69630       -1.07270
H          0.21270        1.60620        0.04040
H          1.20520       -0.25140       -1.30050
H         -1.22480        0.12060       -3.14300
H         -0.53630       -2.28240       -1.32790
H         -1.89990       -2.18840       -2.46520
H         -2.61790       -1.69250       -0.09850
H         -2.88290       -0.28640       -1.14930
H          2.67110        2.79370       -2.60760
H          2.14300        2.35090       -0.94790
H          3.09410        1.19420       -1.95770
H          0.61590       -3.16890       -3.08990
H          1.76230       -2.54560       -4.33270
H          1.90690       -1.99330       -2.65710
31
Zn_nn24
Zn        -0.49410       -2.42060       -1.64300
Cl        -2.64480       -2.99020       -1.19450
Cl         1.58070       -3.34160       -1.50790
N         -0.60810       -1.36820       -3.56690
N         -0.15320       -0.38290       -0.89770
H         -1.61790       -1.29100       -3.76290
C          0.04000       -2.14080       -4.65740
H          0.05400       -1.60200       -5.62380
H         -0.50990       -3.08700       -4.78870
H          1.07070       -2.38510       -4.35170
H          0.86590       -0.34510       -0.74140
C          0.14470        2.39110       -4.27620
C         -0.43520        0.98150       -4.50130
C         -0.05420        0.00340       -3.36660
C         -0.50420        0.57100       -1.99100
C          0.08480        1.98340       -1.77410
C         -0.29070        2.95280       -2.91130
C         -0.85070       -0.12940        0.38870
H         -0.17460        3.06250       -5.09450
H          1.25160        2.34420       -4.32100
H         -1.54290        1.04360       -4.55270
H         -0.09460        0.58030       -5.47310
H          1.04830       -0.11960       -3.34300
H         -1.61220        0.63330       -1.99100
H         -0.25400        2.38560       -0.80190
H          1.19030        1.89620       -1.71530
H          0.17170        3.94060       -2.73050
H         -1.38780        3.11350       -2.91000
H         -0.43470       -0.80830        1.15080
H         -0.74100        0.91260        0.74530
H         -1.91930       -0.37040        0.26550
73
Zn_nn25
Zn        -0.28720       -0.16160       -3.68830
Cl        -1.78530        0.80900       -5.08670
Cl         1.26640       -1.70360       -4.27010
N          0.65510        1.23670       -2.23120
N         -1.34850       -0.55470       -1.76980
C          0.18870        1.14580       -1.01900
C         -0.97090        0.20140       -0.78050
C          0.70830        1.94340        0.15290
H          1.42750        2.70380       -0.18580
H         -0.12090        2.44150        0.68570
H          1.21710        1.29060        0.88610
C         -1.58920        0.17160        0.59610
H         -2.12480        1.11470        0.81110
H         -0.81050        0.05930        1.37160
H         -2.30480       -0.65930        0.68180
C          4.02120        3.56650       -3.32750
C          4.20080        2.41460       -2.55650
C          3.11290        1.62080       -2.14160
C          1.81030        2.03550       -2.54480
C          1.60660        3.18770       -3.35940
C          2.73230        3.94610       -3.72160
H          4.88750        4.16630       -3.62910
H          5.21480        2.11030       -2.27210
C          3.40230        0.34290       -1.34800
C          4.21450       -0.66160       -2.19900
H          4.40690       -1.58360       -1.61990
H          5.19260       -0.23550       -2.48880
H          3.66490       -0.93750       -3.11440
H          2.44340       -0.14780       -1.10100
C          4.13710        0.64600       -0.01980
H          4.26550       -0.28250        0.56610
H          3.59280        1.37610        0.60600
H          5.14560        1.05890       -0.20470
C          0.20060        3.63190       -3.76180
C         -0.36660        4.64650       -2.73860
H         -1.40020        4.92960       -3.00940
H          0.24560        5.56760       -2.71510
H         -0.38510        4.23270       -1.71340
H         -0.45440        2.74090       -3.74770
C          0.12690        4.20160       -5.19190
H         -0.92910        4.36030       -5.47140
H          0.56490        3.50210       -5.92400
H          0.64480        5.17470       -5.28370
H          2.59500        4.84600       -4.33050
C         -4.62700       -3.23370       -1.56420
C         -3.31180       -3.71430       -1.59070
C         -2.21580       -2.83780       -1.65490
C         -2.48200       -1.43780       -1.65980
C         -3.81050       -0.92310       -1.64990
C         -4.86560       -1.85690       -1.60220
H         -5.46760       -3.93590       -1.52340
H         -3.12930       -4.79410       -1.56800
C         -0.78380       -3.37330       -1.64660
C         -0.60530       -4.64250       -2.50320
H         -1.12660       -5.51800       -2.07250
H          0.46730       -4.89470       -2.56990
H         -0.97520       -4.48520       -3.53050
C         -0.29730       -3.61740       -0.19750
H          0.75400       -3.95930       -0.19650
H         -0.90950       -4.39320        0.29930
H         -0.35770       -2.70110        0.41870
H         -0.13040       -2.60200       -2.09500
C         -4.15280        0.56780       -1.73610
C         -4.96810        1.04040       -0.50820
H         -5.95990        0.55360       -0.47570
H         -5.13860        2.13130       -0.55980
H         -4.46080        0.81650        0.44750
C         -4.91520        0.88530       -3.04370
H         -4.31000        0.62030       -3.92610
H         -5.14460        1.96540       -3.09740
H         -5.87290        0.33480       -3.08990
H         -3.21180        1.14620       -1.76590
H         -5.89770       -1.48810       -1.60530
33
Zn_nn26
Zn         0.48110       -0.06340        0.33840
Cl        -0.04960       -0.05400        2.52860
Cl         2.29120       -0.20480       -1.02240
N         -0.99380        1.44980       -0.56610
N         -0.90940       -1.44650       -0.65540
H         -1.57390        1.63040        0.26980
C         -1.74970        0.70060       -1.61520
H         -1.05710        0.57290       -2.46950
C         -2.13090       -0.71240       -1.09740
H         -2.75690       -0.58930       -0.18980
H         -0.38410       -1.74540       -1.49190
C         -1.18020       -2.63390        0.19620
H         -1.88870       -3.34570       -0.26770
H         -1.57450       -2.29070        1.16640
H         -0.22690       -3.15440        0.38290
C         -0.33480        2.70030       -0.88880
C          0.40460        2.75620       -2.20980
H          1.14690        1.93620       -2.26200
H          0.91860        3.72600       -2.27140
H         -0.27980        2.65710       -3.07180
C         -2.93760       -1.47660       -2.17220
H         -3.22600       -2.47030       -1.78400
H         -2.27540       -1.65530       -3.04540
C         -4.18760       -0.70060       -2.62980
H         -4.89320       -0.60510       -1.78010
H         -4.71600       -1.27210       -3.41460
C         -3.80560        0.69890       -3.14160
H         -4.70840        1.27210       -3.42110
H         -3.19590        0.60230       -4.06270
C         -3.00650        1.47250       -2.07580
H         -3.64960        1.65630       -1.19060
H         -2.70750        2.46680       -2.45630
O         -0.34010        3.59750       -0.05840
27
Zn_nn27
Zn         2.06240        1.30310        1.18180
Cl         1.82030        0.90370        3.39720
Cl         2.85100        2.95320       -0.17400
N          0.22840        0.70940        0.12650
H          0.21360        1.33920       -0.69070
C          0.38830       -0.69700       -0.35700
H          0.19540       -1.33770        0.52760
C          1.86130       -0.93580       -0.80800
H          2.09290       -0.21610       -1.61900
N          2.78680       -0.57960        0.31180
H          2.69850       -1.29070        1.05390
C          4.21540       -0.46190       -0.07640
H          4.32860        0.41150       -0.73950
H          4.60960       -1.36620       -0.57760
H          4.80790       -0.27900        0.83490
C         -0.98630        0.94410        0.94610
H         -1.91870        0.60980        0.45190
H         -1.06520        2.02370        1.15300
H         -0.87040        0.42250        1.91030
C          2.07920       -2.37180       -1.31890
H          1.52480       -2.55830       -2.25340
H          1.74610       -3.11420       -0.56880
H          3.14430       -2.55970       -1.53410
C         -0.61930       -1.04570       -1.46760
H         -1.64450       -0.76400       -1.17330
H         -0.63090       -2.12630       -1.68530
H         -0.37380       -0.51000       -2.40410
41
Zn_nn28
Zn         1.74200       -0.42040        2.02950
Cl        -0.27250       -0.41190        3.06390
Cl         3.93060       -0.73590        2.56420
N          1.65540        1.29680        0.65900
H          0.68610        1.64020        0.73880
C          1.86810        0.80530       -0.73700
H          2.96010        0.65380       -0.83650
C          1.17120       -0.58060       -0.93890
H          0.08330       -0.43900       -0.79120
N          1.59970       -1.52680        0.13410
H          2.57920       -1.80060       -0.03910
C          0.76640       -2.75460        0.19670
H          0.68430       -3.25720       -0.78570
H         -0.23810       -2.48240        0.56050
H          1.21850       -3.44820        0.92360
C          1.86270       -2.11710       -4.95370
H          2.03790       -2.50350       -5.96410
C          0.56310       -1.79120       -4.53840
H         -0.28260       -1.92230       -5.22290
C          0.34130       -1.29690       -3.24340
H         -0.67610       -1.03950       -2.92490
C          1.41200       -1.11780       -2.34790
C          2.71430       -1.45430       -2.77430
H          3.57000       -1.32940       -2.09670
C          2.93890       -1.94930       -4.06680
H          3.95710       -2.20340       -4.38270
C          2.57550        2.40550        1.02600
H          2.57510        3.21480        0.27170
H          2.25920        2.81450        1.99890
H          3.59230        1.99540        1.14040
C          0.57990        3.69210       -3.73180
H          0.25450        4.42010       -4.48350
C         -0.34220        3.17230       -2.80860
H         -1.39020        3.49110       -2.83820
C          0.07470        2.24100       -1.84680
H         -0.66390        1.84290       -1.13790
C          1.41820        1.81300       -1.79250
C          2.33380        2.34540       -2.71930
H          3.38030        2.01830       -2.69190
C          1.91920        3.27720       -3.68390
H          2.64620        3.67910       -4.39860
63
Zn_nn29
Zn        -1.11880       -1.48510       -1.24910
Cl        -2.08570        0.05250        0.11150
Cl        -1.96160       -3.33140       -2.24010
N          1.10620       -1.64880       -0.31010
H          0.96530       -1.70080        0.70920
C          1.81960       -0.39090       -0.74400
H          2.71610       -0.74330       -1.28350
C          0.99720        0.45730       -1.76900
H          0.25940        1.07670       -1.22600
N          0.19720       -0.47290       -2.62410
H          0.82580       -1.20320       -3.00050
C         -0.54250        0.18640       -3.72830
H          0.13170        0.70990       -4.42990
H         -1.24750        0.91750       -3.29720
H         -1.11680       -0.58370       -4.26830
C          1.62430       -2.85090       -0.86420
C          1.73630       -4.04500        0.11030
H          2.74860       -3.88090        0.54220
O          2.03950       -2.86790       -2.02300
C         -1.01780       -3.77990        3.47680
H         -1.70990       -3.70230        4.32280
C          0.33920       -3.46830        3.64570
H          0.71660       -3.15060        4.62450
C          1.22060       -3.56400        2.55640
H          2.28300       -3.32230        2.69430
C          0.75930       -3.97660        1.28860
C         -0.60590       -4.29730        1.13110
H         -0.98300       -4.62740        0.15680
C         -1.48590       -4.19270        2.21780
H         -2.54470       -4.43690        2.07780
C          1.80860       -7.98940       -1.71300
H          1.82190       -8.99370       -2.15210
C          2.68060       -7.66770       -0.66130
H          3.38100       -8.41720       -0.27460
C          2.65870       -6.38150       -0.10400
H          3.33820       -6.13560        0.72250
C          1.76750       -5.40250       -0.58470
C          0.89840       -5.72960       -1.64300
H          0.20100       -4.98240       -2.03880
C          0.92090       -7.01730       -2.19990
H          0.23730       -7.25810       -3.02210
C          3.69830        3.04600       -3.98450
H          4.38030        3.69870       -4.54090
C          3.77670        1.65150       -4.13690
H          4.51900        1.21210       -4.81290
C          2.90520        0.81650       -3.42340
H          2.97760       -0.27200       -3.54960
C          1.93890        1.36390       -2.55220
C          1.86660        2.76160       -2.40940
H          1.12090        3.19580       -1.73240
C          2.74250        3.59880       -3.11830
H          2.67560        4.68550       -2.99410
C          3.12510        1.86990        2.72890
H          3.45960        2.43610        3.60560
C          1.75380        1.68040        2.49100
H          1.01270        2.09780        3.18210
C          1.31950        0.96080        1.36700
H          0.24370        0.82390        1.18890
C          2.26170        0.41420        0.46920
C          3.63550        0.60550        0.71560
H          4.37360        0.18860        0.01910
C          4.06570        1.33240        1.83610
H          5.13810        1.47710        2.01100
31
Zn_nn30
Zn         0.44050       -0.00430        0.26340
Cl         0.14600        0.05540        2.50970
Cl         2.16620       -0.06630       -1.21480
N         -0.97460       -1.44540       -0.62420
N         -1.03020        1.43620       -0.52470
H         -0.48820       -1.75180       -1.48090
C         -1.21220       -2.62280        0.24750
H         -1.56880       -2.27040        1.22910
H         -0.25310       -3.14310        0.40170
H         -1.94080       -3.33960       -0.17770
C         -2.21170       -0.70730       -1.01960
H         -2.80410       -0.59000       -0.08840
C         -1.85200        0.71350       -1.53990
H         -1.19710        0.59880       -2.42820
H         -1.62990        1.67690        0.27930
C         -0.36900        2.66870       -1.02260
H          0.38620        2.38430       -1.77360
H         -1.07650        3.39740       -1.46180
H          0.15260        3.14800       -0.17820
C         -4.32430       -0.69520       -2.47430
H         -5.00030       -0.60910       -1.59970
H         -4.87790       -1.26270       -3.24480
C         -3.05590       -1.46890       -2.06640
H         -2.42600       -1.64030       -2.96470
H         -3.32720       -2.46580       -1.67370
C         -3.13190        1.47890       -1.94630
H         -2.86290        2.47690       -2.33700
H         -3.74470        1.64750       -1.03570
C         -3.96630        0.70960       -2.98820
H         -4.88100        1.28020       -3.23300
H         -3.38780        0.62270       -3.93020
30
Zn_nn31
N         -1.53830       -0.06680       -0.59910
C         -1.29410        1.39270       -0.38950
C          0.08310        1.91800       -0.83830
C          1.29650        1.51510        0.02180
N          1.72630        0.08720       -0.08150
C          2.78490       -0.17220        0.93360
C         -2.83160       -0.43420        0.04160
C         -1.60290       -0.42020       -2.03840
C          2.26520       -0.23880       -1.42470
Zn         0.02400       -1.21120        0.49440
Cl        -0.35290       -0.60480        2.67410
Cl         0.27840       -3.22500       -0.52460
H         -1.41500        1.57540        0.69390
H         -2.08960        1.96590       -0.91670
H          0.26290        1.70390       -1.90810
H          0.02120        3.02140       -0.77780
H          1.05860        1.69070        1.08680
H          2.16000        2.16650       -0.24090
H          3.65940        0.49300        0.77260
H          3.11340       -1.22140        0.85030
H          2.37030       -0.00940        1.94170
H         -3.66890        0.15320       -0.39120
H         -2.76650       -0.24980        1.12630
H         -3.02410       -1.50700       -0.12500
H         -2.45400        0.09200       -2.53590
H         -1.71740       -1.51170       -2.13310
H         -0.67070       -0.13530       -2.54960
H          3.18010        0.35300       -1.64070
H          1.51630       -0.02960       -2.20380
H          2.49830       -1.31470       -1.46390
30
Zn_nn32
Zn         0.02570       -0.03000        0.21450
Cl         0.42910        1.89760        1.35080
Cl        -0.45760       -2.09380        1.03850
N          1.58410       -0.06970       -1.29520
N         -1.36220        0.22810       -1.43500
C         -1.11800        0.13600       -2.69810
C          1.45840        0.07660       -2.56990
C         -2.84030        0.29990       -1.25720
C          3.03620       -0.05560       -0.96940
C          3.70250        0.22140       -2.35000
C         -3.37690        0.10130       -2.70610
O         -2.17320        0.09440       -3.54930
O          2.58610        0.23830       -3.30610
H         -3.13230       -0.54080       -0.60330
H          3.20170        0.77790       -0.26370
H          4.20440        1.19990       -2.41760
H          4.39440       -0.57590       -2.66850
H         -3.89060       -0.86110       -2.86440
H         -4.01660        0.92800       -3.05590
C          0.20800        0.07440       -3.40820
H          0.21600       -0.83220       -4.04470
H          0.26360        0.92060       -4.11880
C         -3.24630        1.63190       -0.61480
H         -4.33510        1.64880       -0.42950
H         -2.72430        1.77620        0.34650
H         -2.98820        2.47990       -1.27400
C          3.46170       -1.38010       -0.32450
H          4.53030       -1.34190       -0.04700
H          2.87280       -1.57990        0.58650
H          3.30790       -2.22310       -1.02160
44
Zn_nn33
Zn         0.01470       -0.04700        0.20280
Cl         0.97280        1.66020        1.37540
Cl        -1.09140       -1.87380        0.99770
N          1.56690       -0.26080       -1.31430
N         -1.30840        0.38810       -1.47670
C         -1.07660        0.19970       -2.73240
C          1.48130        0.00900       -2.57330
C         -2.79150        0.39310       -1.28280
C          3.00970       -0.18570       -0.92670
C          3.71880        0.09570       -2.28560
C         -3.33160        0.29500       -2.74180
O         -2.13560        0.09670       -3.57200
O          2.62610        0.25660       -3.25560
H         -3.02450       -0.51750       -0.70080
H          3.09550        0.67200       -0.23520
H          4.30580        1.02690       -2.29670
H          4.34500       -0.74440       -2.62850
H         -3.99820       -0.56380       -2.91440
H         -3.82110        1.22280       -3.08190
C          0.24830        0.06730       -3.43500
H          0.20960       -0.84250       -4.06570
H          0.36120        0.90610       -4.14750
C         -4.16280        3.86040        0.93380
C         -4.37480        2.56900        1.43940
C         -3.92690        1.44940        0.72080
C         -3.26780        1.61240       -0.51100
C         -3.05360        2.91310       -1.01040
C         -3.49770        4.03120       -0.29210
H         -4.50600        4.73490        1.49780
H         -4.88210        2.42990        2.40040
H         -4.07430        0.44080        1.12500
H         -2.51880        3.05560       -1.95800
H         -3.31640        5.03830       -0.68410
C          4.29760       -3.77210        1.14660
C          4.27190       -2.53870        1.81460
C          3.85680       -1.38030        1.13890
C          3.46850       -1.44630       -0.21170
C          3.49000       -2.69000       -0.87450
C          3.90270       -3.84690       -0.19980
H          4.61540       -4.67750        1.67570
H          4.56680       -2.47630        2.86790
H          3.81310       -0.41980        1.66590
H          3.16660       -2.76100       -1.92110
H          3.90740       -4.81030       -0.72200
42
Zn_nn34
Zn         0.01870       -0.09800        0.17870
Cl         0.38510        1.78930        1.39460
Cl        -0.48620       -2.19020        0.90680
N          1.57740       -0.07680       -1.31690
N         -1.36470        0.22010       -1.45290
C         -1.12330        0.15970       -2.71830
C          1.45490        0.07600       -2.59200
C         -2.83680        0.32150       -1.26610
C          3.02660       -0.02860       -0.98070
C          3.69630        0.23620       -2.36180
C         -3.38160        0.18450       -2.71800
O         -2.18000        0.16800       -3.56700
O          2.58300        0.24170       -3.32340
H         -3.14740       -0.53940       -0.64630
H          3.16970        0.83070       -0.30010
H          4.19000        1.21850       -2.43370
H          4.39680       -0.55250       -2.68030
H         -3.92030       -0.75890       -2.90190
H         -4.00060        1.03410       -3.04760
C          0.20280        0.09010       -3.42900
H          0.20340       -0.80390       -4.08250
H          0.26620        0.94830       -4.12530
C         -3.22320        1.62580       -0.51790
H         -2.66870        1.59520        0.44130
C          3.48920       -1.31220       -0.24220
H          2.86680       -1.37120        0.67300
C          3.24740       -2.59970       -1.04830
H          3.56890       -3.47710       -0.46060
H          2.17630       -2.73310       -1.27750
H          3.81950       -2.61540       -1.99650
C          4.96080       -1.16520        0.19030
H          5.27080       -2.03220        0.79940
H          5.64210       -1.11890       -0.68150
H          5.11970       -0.25410        0.79580
C         -4.73150        1.62600       -0.20500
H         -4.99690        2.50760        0.40440
H         -5.34390        1.66920       -1.12680
H         -5.03010        0.72400        0.36000
C         -2.78600        2.90120       -1.25840
H         -3.05290        3.79160       -0.66330
H         -1.69280        2.92230       -1.40650
H         -3.28020        3.00720       -2.24390
36
Zn_nn35
Zn         0.02990       -0.02170        0.24620
Cl         0.42420        1.91780        1.35800
Cl        -0.51040       -2.04970        1.10390
N          1.58270       -0.08870       -1.23890
N         -1.31220        0.21110       -1.42190
C         -1.06160        0.11570       -2.68470
C          1.49650        0.06700       -2.51770
C         -2.78640        0.28350       -1.23600
C          3.02190       -0.09410       -0.85870
C          3.73650        0.22250       -2.20280
C         -3.32870        0.06480       -2.67670
O         -2.13130        0.06160       -3.52480
O          2.66320        0.21270       -3.20270
H         -3.07320       -0.54670       -0.56630
H          3.16750        0.71710       -0.12330
H          4.20410        1.22060       -2.23480
H          4.47270       -0.54170       -2.50240
H         -3.83520       -0.90370       -2.82180
H         -3.97970        0.88110       -3.03070
C          0.27150        0.09000       -3.42430
C         -3.18610        1.62490       -0.60720
H         -4.27350        1.64480       -0.41310
H         -2.65550        1.78260        0.34730
H         -2.93240        2.46400       -1.27970
C          3.41490       -1.44020       -0.23580
H          4.46870       -1.41280        0.09470
H          2.78050       -1.66610        0.63810
H          3.29530       -2.26090       -0.96560
C          0.33630        1.36920       -4.31770
H          0.31520        2.28380       -3.70050
H          1.26550        1.36250       -4.90800
H         -0.52670        1.38350       -5.00200
C          0.32480       -1.18390       -4.32390
H          1.27000       -1.19650       -4.88970
H          0.26460       -2.10140       -3.71350
H         -0.51890       -1.17470       -5.03130
50
Zn_nn36
Zn         0.03900       -0.02570        0.23820
Cl         0.98810        1.66890        1.44000
Cl        -1.08730       -1.83720        1.05020
N          1.57950       -0.21810       -1.28110
N         -1.25650        0.38380       -1.45450
C         -1.02580        0.19260       -2.71140
C          1.51650        0.06550       -2.54020
C         -2.73680        0.35010       -1.24140
C          3.01560       -0.17830       -0.86280
C          3.75690        0.11370       -2.20010
C         -3.29210        0.19850       -2.68850
O         -2.10130        0.04850       -3.53080
O          2.68860        0.29490       -3.18920
H         -2.93590       -0.54900       -0.62980
H          3.10240        0.66330       -0.15190
H          4.35210        1.04000       -2.18470
H          4.38540       -0.72630       -2.53950
H         -3.91500       -0.69760       -2.83470
H         -3.83610        1.09180       -3.03800
C          0.30090        0.12740       -3.45630
C         -4.16360        3.84080        0.90220
C         -4.30960        2.56120        1.45780
C         -3.84390        1.43390        0.76260
C         -3.23250        1.57740       -0.49590
C         -3.08290        2.86710       -1.04470
C         -3.54530        3.99300       -0.35030
H         -4.52200        4.72130        1.44730
H         -4.77930        2.43740        2.43970
H         -3.93990        0.43510        1.20470
H         -2.58310        2.99560       -2.01340
H         -3.41630        4.99160       -0.78270
C          4.18510       -3.82810        1.16940
C          4.12700       -2.61450        1.87110
C          3.75110       -1.43520        1.20890
C          3.43360       -1.46040       -0.16170
C          3.48640       -2.68460       -0.85860
C          3.86100       -3.86220       -0.19740
H          4.47310       -4.74970        1.68750
H          4.36620       -2.58410        2.93990
H          3.68180       -0.49000        1.76020
H          3.21910       -2.72320       -1.92260
H          3.89210       -4.81010       -0.74670
C          0.39810        1.39470       -4.35980
H          1.31630        1.35470       -4.96580
H         -0.47450        1.43460       -5.03100
H          0.41980        2.31400       -3.74980
C          0.31840       -1.15840       -4.34220
H          1.26940       -1.20870       -4.89690
H          0.21870       -2.06560       -3.72210
H         -0.51520       -1.12920       -5.06130
48
Zn_nn37
Zn         0.04720        0.02720        0.21500
Cl         0.41860        2.01570        1.25470
Cl        -0.44170       -1.97400        1.17820
N          1.58860       -0.09440       -1.27680
N         -1.32130        0.17330       -1.43820
C         -1.07520        0.08950       -2.70330
C          1.48810        0.02760       -2.55890
C         -2.79480        0.21220       -1.24170
C          3.03210       -0.12190       -0.91530
C          3.73590        0.12720       -2.27900
C         -3.34260        0.03350       -2.68590
O         -2.14740        0.02820       -3.53730
O          2.64760        0.12020       -3.26280
H         -3.05990       -0.65250       -0.60610
H          3.20860        0.71940       -0.22010
H          4.23170        1.10930       -2.34890
H          4.44610       -0.66320       -2.57100
H         -3.86300       -0.92420       -2.84920
H         -3.98410        0.86180       -3.02820
C          0.25370        0.07770       -3.45170
C         -3.23660        1.50730       -0.50850
H         -2.69630        1.50420        0.45870
C          3.41610       -1.43970       -0.18950
H          2.75980       -1.49450        0.70160
C          3.15010       -2.69750       -1.03430
H          3.40300       -3.60160       -0.45390
H          2.08560       -2.77430       -1.31390
H          3.76190       -2.72050       -1.95730
C          4.87810       -1.36650        0.29120
H          5.13370       -2.26210        0.88370
H          5.58770       -1.32350       -0.55810
H          5.05470       -0.47980        0.92690
C         -4.74820        1.45540       -0.21490
H         -5.05300        2.33140        0.38380
H         -5.34840        1.47120       -1.14550
H         -5.02260        0.54720        0.35210
C         -2.83660        2.79290       -1.25260
H         -3.14680        3.67740       -0.66980
H         -1.74280        2.85450       -1.38360
H         -3.31950        2.87140       -2.24630
C          0.32040        1.38170       -4.30950
H          1.24360        1.38420       -4.90980
H         -0.54900        1.42320       -4.98480
H          0.31320        2.27830       -3.66640
C          0.29150       -1.16890       -4.38980
H          1.23210       -1.17080       -4.96270
H          0.23070       -2.10430       -3.80720
H         -0.55800       -1.13350       -5.08890
33
Zn_nn38
Zn         0.84620       -0.55580        1.21490
Cl         0.13820       -0.79090        3.37390
Cl         2.63140       -1.51800        0.13320
N         -0.87110       -1.32790        0.02830
N          0.97600        1.63230        0.81450
C         -0.65240       -1.24300       -1.44760
C         -2.16670       -0.73740        0.44230
C          0.39320        2.38590        1.95710
C          0.26620        2.02220       -0.44430
C         -0.62150        0.16110       -2.07550
C          0.53660        1.10890       -1.66690
C         -0.86120       -2.76830        0.41790
C          2.42350        1.96550        0.71110
H         -1.44810       -1.83700       -1.95150
H          0.31340       -1.74430       -1.64030
H         -2.20630        0.33100        0.17690
H         -2.26150       -0.82890        1.53670
H         -3.01820       -1.25560       -0.04830
H         -0.67220        2.12920        2.06850
H          0.49410        3.48030        1.79810
H          0.90610        2.09820        2.88750
H         -0.81460        2.03400       -0.21260
H          0.54420        3.07360       -0.67710
H         -1.59490        0.67440       -1.94610
H         -0.53910       -0.02500       -3.16340
H          0.75040        1.76450       -2.53030
H          1.45620        0.51420       -1.50610
H         -1.67920       -3.31880       -0.09260
H          0.10920       -3.21210        0.14070
H         -0.99130       -2.84640        1.50990
H          2.55900        3.05260        0.52820
H          2.92630        1.69300        1.65330
H          2.89210        1.38700       -0.09870
31
Zn_nn39
Zn         0.86760        0.26180        0.75640
Cl         0.79090        2.56380        0.51870
Cl         2.17060       -1.11240        2.01030
N          1.15670       -0.31200       -1.38100
N         -1.24880       -0.11110        1.33730
C         -0.02960        0.17580       -2.16960
C          2.36490        0.43870       -1.81980
C         -1.50750       -1.52310        1.71440
C         -2.14120        0.35190        0.21600
C         -1.27040       -0.66750       -1.97520
C         -2.16470       -0.59270       -0.96540
C         -1.47530        0.76070        2.52250
C          1.39200       -1.76550       -1.56500
H          0.23830        0.17970       -3.24810
H         -0.19130        1.22410       -1.85800
H          2.58120        0.24400       -2.89140
H          3.22750        0.11480       -1.21400
H          2.20230        1.51640       -1.65930
H         -2.54230       -1.65470        2.09580
H         -0.78580       -1.81700        2.49340
H         -1.36030       -2.17590        0.83950
H         -3.17460        0.46490        0.60860
H         -1.77630        1.35620       -0.06780
H         -1.45300       -1.42770       -2.74690
H         -3.00630       -1.29830       -0.99230
H         -2.52190        0.67100        2.88220
H         -0.78940        0.45300        3.32920
H         -1.25910        1.80640        2.25140
H          1.62840       -2.00410       -2.62370
H          2.23220       -2.07020       -0.92060
H          0.49670       -2.33010       -1.26000
37
Zn_nn40
Zn         1.37150        0.77430        1.29930
Cl         1.21740        3.06260        1.00890
Cl         2.65810       -0.50120        2.66600
N          1.74650        0.13650       -0.78410
N         -0.74350        0.27850        1.68690
C          0.63040        0.61410       -1.67740
C          2.98440        0.87920       -1.14920
C         -0.94620       -1.15150        2.02430
C         -1.60050        0.74190        0.53690
C         -0.62600       -0.24250       -1.66980
C         -1.63510       -0.18450       -0.66820
C         -1.07260        1.11000        2.87780
C          2.00430       -1.31910       -0.90340
C         -0.80810       -1.12210       -2.75970
C         -1.93780       -1.94130       -2.87730
C         -2.93110       -1.88460       -1.89080
C         -2.77260       -1.00990       -0.80870
H          1.01280        0.64600       -2.72000
H          0.42300        1.65610       -1.37060
H          3.28620        0.64970       -2.19320
H          3.79760        0.58300       -0.46550
H          2.80530        1.96160       -1.04340
H         -1.98860       -1.34630        2.35370
H         -0.24790       -1.41930        2.83360
H         -0.72890       -1.78200        1.14890
H         -2.64170        0.85560        0.90750
H         -1.23270        1.75080        0.27350
H         -2.12910        0.95680        3.18370
H         -0.41030        0.82300        3.71170
H         -0.90460        2.17270        2.63820
H          2.32630       -1.59080       -1.93100
H          2.79490       -1.59140       -0.18570
H          1.09440       -1.88700       -0.65710
H         -0.03890       -1.15480       -3.54120
H         -2.04410       -2.61020       -3.73860
H         -3.82880       -2.50830       -1.96580
H         -3.55850       -0.95380       -0.04540
41
Zn_nn41
Zn         0.02230        0.07280        0.00190
Cl         0.17400        2.23730        0.61600
Cl        -0.12150       -1.90070        1.08770
N          1.55520       -0.21040       -1.62040
N         -1.53360       -0.02010       -1.62560
H         -1.57480       -1.02070       -1.86730
H         -2.43980        0.25000       -1.22340
C         -1.20600        0.79210       -2.77020
H          2.46800       -0.37060       -1.17640
H          1.58340        0.70400       -2.09400
C          1.22000       -1.27400       -2.53200
C         -1.76360        2.09720       -2.86240
C         -1.43770        2.91640       -3.92660
C         -0.53230        2.48180       -4.93880
C          0.05430        1.16640       -4.83640
C         -0.30170        0.31530       -3.72860
C          0.29600       -1.04800       -3.56170
C         -0.08240       -2.14860       -4.41240
C          0.50490       -3.44990       -4.19380
C          1.43650       -3.61860       -3.12840
C          1.78330       -2.56060       -2.31030
C         -0.18080        3.32090       -6.03650
C          0.98590        0.76190       -5.84050
C         -1.03860       -2.00710       -5.46390
C          0.12730       -4.53840       -5.03330
C          0.71950        2.89280       -6.99960
C          1.30770        1.60420       -6.89490
C         -1.38620       -3.08870       -6.26070
C         -0.79940       -4.36470       -6.04910
H         -2.43910        2.44970       -2.07470
H         -1.86820        3.92170       -3.99590
H          1.87150       -4.60990       -2.95600
H          2.47700       -2.70750       -1.47470
H         -0.63450        4.31730       -6.10070
H          1.44740       -0.22800       -5.76930
H         -1.49860       -1.02880       -5.63580
H          0.58180       -5.52050       -4.85420
H          0.98350        3.54680       -7.83800
H          2.02480        1.27190       -7.65430
H         -2.12340       -2.95710       -7.06090
H         -1.08460       -5.20930       -6.68610
19
Zn_no_ch01
Zn        -0.04520        0.05300       -0.05150
Cl         0.75700        1.72060        1.37720
Cl         0.01530       -2.14050        0.77080
N          1.44580        0.02500       -1.80720
O         -1.37540        0.47720       -1.44070
C          0.46770       -0.21630       -2.89880
C         -0.81760        0.63450       -2.69000
H          0.93630       -0.02730       -3.89640
H          0.18960       -1.28520       -2.84200
H         -1.51500        0.31920       -3.51340
H         -0.56080        1.70660       -2.93680
C          2.11320        1.33060       -1.94030
H          2.70190        1.53150       -1.03040
H          2.77740        1.35990       -2.83660
H          1.35650        2.12590       -2.02960
C          2.43710       -1.05630       -1.70310
H          3.11720       -0.84480       -0.85950
H          1.91780       -2.00460       -1.48830
H          3.04380       -1.15620       -2.63460
15
Zn_no_ch02
Zn         0.52170       -0.69560       -0.50990
Cl         0.09890        0.00280       -2.68340
Cl         2.69370       -1.25500        0.08350
N         -0.22050        0.78740        0.82250
O         -0.83550       -2.11410        0.15870
C         -1.20730        0.53550        1.65700
C         -1.90860       -0.69260        1.81040
C         -1.68870       -1.87520        1.08650
C          0.37400        2.11490        0.82130
H         -1.53810        1.36890        2.31600
H         -2.70730       -0.71370        2.56040
H         -2.35420       -2.73120        1.35590
H         -0.13970        2.80680        1.52500
H          0.32960        2.54480       -0.19750
H          1.44270        2.05210        1.10470
21
Zn_no_ch03
Zn        -0.90200        0.90440       -0.11560
Cl        -0.53110        3.03550        0.73990
Cl        -2.29450       -0.51870        1.08650
N          0.96850       -0.02380       -0.45590
O         -1.36330        0.90760       -2.10810
C          1.82420       -0.23960        0.70790
H          2.02520       -1.31610        0.89740
H          1.31950        0.16830        1.59890
H          2.80610        0.27270        0.61780
C          1.38490       -0.41430       -1.65400
C          0.63170       -0.24020       -2.85790
H          1.09900       -0.62490       -3.77040
C         -0.62640        0.37450       -3.01910
C          2.74530       -1.09240       -1.80020
H          2.94700       -1.36940       -2.84770
H          2.80270       -2.00900       -1.18230
H          3.56040       -0.42750       -1.45550
C         -1.21780        0.44000       -4.42880
H         -2.19270       -0.08190       -4.44190
H         -0.56240       -0.00750       -5.19640
H         -1.41670        1.49440       -4.69550
28
Zn_no_ch04
Zn         2.15640        1.15720       -2.85000
Cl         3.96860        2.50940       -2.28170
Cl         2.24050       -0.06200       -4.80790
N          1.64140       -0.07380       -1.17010
O          0.40940        2.20470       -2.70890
C          0.58880        0.18040       -0.38780
C         -0.36120        1.21070       -0.64500
H         -1.15320        1.31560        0.10390
C         -0.41770        2.11210       -1.73150
C          0.34830       -0.62270        0.89270
H         -0.26790       -1.52120        0.70350
H         -0.18950       -0.00270        1.63010
H          1.29740       -0.96590        1.33680
C         -1.57810        3.10720       -1.77870
H         -1.17900        4.13810       -1.75420
H         -2.29240        2.97990       -0.94710
H         -2.11630        2.99530       -2.73760
C          4.31570       -3.31940       -0.56000
H          5.01730       -4.15100       -0.42070
C          4.78380       -1.99580       -0.62130
H          5.85710       -1.78770       -0.53010
C          3.89470       -0.92940       -0.80730
H          4.25540        0.10430       -0.88130
C          2.50490       -1.16980       -0.92550
C          2.04320       -2.50680       -0.88940
H          0.97670       -2.70510       -1.04440
C          2.94110       -3.56730       -0.70350
H          2.56330       -4.59780       -0.68700
24
Zn_no_ch05
Zn        -0.15450       -1.46510        0.14040
Cl         0.53270       -2.51850       -1.80770
Cl         0.51570       -2.34520        2.17950
N          0.57070        0.54630        0.06010
O         -2.06380       -0.79850        0.10960
C         -1.66350        1.60940        0.02930
C         -2.26610        2.89880       -0.00990
C         -3.64480        3.06540       -0.01250
C         -4.46820        1.91290        0.02440
C         -3.93950        0.62560        0.06390
C         -2.50400        0.42170        0.06970
H         -1.60590        3.77800       -0.03810
H         -4.09020        4.06660       -0.04330
H         -5.56150        2.03300        0.02210
C         -4.81330       -0.60390        0.10490
H         -4.59880       -1.27230       -0.75000
H         -4.61310       -1.20440        1.01190
H         -5.88550       -0.33500        0.08440
C         -0.21830        1.58390        0.02860
H          0.25690        2.59030       -0.00400
C          2.01170        0.76310        0.04750
H          2.45670        0.29940        0.94730
H          2.44670        0.25650       -0.83420
H          2.27650        1.84170        0.01940
31
Zn_no_ch06
Zn         0.51600       -1.73220       -0.17400
Cl         2.48960       -2.31590        0.90830
Cl        -1.36120       -1.26860        1.08010
N          0.94120       -0.08660       -1.53120
O          0.10240       -2.94260       -1.73580
C         -0.17690       -3.55710       -5.29150
C          0.18840       -2.30730       -5.85720
C          0.52160       -1.26390       -5.00860
C          0.50360       -1.40960       -3.58850
C          0.13730       -2.69330       -3.00490
C         -0.20790       -3.76720       -3.91750
H         -0.44440       -4.39000       -5.95770
H          0.20490       -2.17420       -6.94490
H          0.80690       -0.28590       -5.42220
C         -0.59420       -5.09310       -3.30980
H         -0.83940       -5.83550       -4.09080
H         -1.46450       -4.98200       -2.63640
H          0.22190       -5.49360       -2.67990
C          0.86570       -0.23950       -2.83710
H          1.12550        0.63760       -3.46390
C          1.94230        3.72610        0.04440
C          1.08700        3.63790       -1.06540
C          0.74180        2.38740       -1.59750
C          1.26130        1.20110       -1.02770
C          2.10140        1.29260        0.10490
C          2.43980        2.54710        0.62660
H          2.20380        4.70520        0.46410
H          0.66610        4.54880       -1.50980
H          0.03420        2.32040       -2.43200
H          2.48680        0.36690        0.55210
H          3.09790        2.60190        1.50220
28
Zn_no_ch07
Zn        -0.44570       -0.30250        0.21110
Cl        -0.42630        1.38130        1.78530
Cl        -0.62950       -2.52250        0.87910
N          1.32580       -0.13800       -1.06050
O         -1.64170        0.14950       -1.35390
C         -2.10380        1.20700       -4.79640
C         -0.77540        1.24170       -5.29680
C          0.26320        0.90850       -4.43880
C          0.04630        0.53780       -3.07770
C         -1.31810        0.49040       -2.55830
C         -2.36460        0.84510       -3.48320
H         -2.93880        1.47070       -5.45970
H         -0.57530        1.52620       -6.33600
H          1.30050        0.92930       -4.80310
H         -3.38730        0.81510       -3.09140
C          1.22820        0.23010       -2.32080
H          2.16940        0.29690       -2.90320
C          5.18170       -0.74150        0.60900
C          4.97320        0.31800       -0.28850
C          3.70600        0.53690       -0.84680
C          2.62670       -0.31750       -0.51930
C          2.83220       -1.36570        0.40590
C          4.10320       -1.57390        0.95600
H          6.17300       -0.90600        1.04860
H          5.79880        0.99480       -0.54220
H          3.53610        1.39650       -1.50480
H          1.98180       -2.00720        0.67210
H          4.25000       -2.39630        1.66640
20
Zn_no01
Zn         2.30860        1.05180        0.10080
Cl         3.10230        2.27230       -1.58920
Cl         2.77080        0.52950        2.25060
N          0.07150        0.75560        0.01020
O          1.48030       -0.96560       -0.55710
C         -0.71780        1.32060        1.12940
C         -0.47430        1.15380       -1.31230
C          0.23850       -0.69980        0.12060
H         -0.76850        2.41420        1.00420
H         -0.20700        1.09690        2.08020
H         -1.75210        0.92040        1.14950
H         -0.39830        2.24720       -1.41820
H         -1.53500        0.84540       -1.41680
H          0.12830        0.69080       -2.10840
H          0.32110       -0.97030        1.19000
H         -0.58290       -1.27000       -0.36410
C          2.03400       -2.26300       -0.25470
H          2.95680       -2.34640       -0.84660
H          2.26780       -2.34090        0.82340
H          1.32950       -3.06040       -0.55610
23
Zn_no02
Zn         0.03900       -0.75990       -0.82530
Cl         0.84900       -2.81590       -0.39890
Cl        -0.98060        0.27060       -2.55640
N         -0.75830        0.03370        1.09540
O          1.65230        0.67650       -0.30500
C         -1.80870        1.05440        0.85060
C          0.43940        0.62590        1.75540
C          1.25570        1.49960        0.80390
C         -1.30190       -1.06550        1.93410
C          2.34790        1.40380       -1.33690
H         -2.13400        1.52580        1.80190
H         -1.44190        1.82670        0.15770
H         -2.67250        0.57060        0.36900
H          1.07400       -0.21080        2.09660
H          0.14480        1.22230        2.64610
H          0.67960        2.37440        0.43860
H          2.15530        1.87760        1.32980
H         -1.59160       -0.69660        2.94010
H         -0.54630       -1.86210        2.02500
H         -2.19180       -1.48820        1.44020
H          3.27500        1.84310       -0.92370
H          2.59710        0.67420       -2.12040
H          1.70320        2.19500       -1.76220
18
Zn_no03
Zn         1.46160       -1.00420       -0.54830
Cl         0.97720       -0.38850       -2.66980
Cl         2.02310       -2.81050        0.64160
N         -0.17980        0.09360        0.55720
O          2.45530        0.89670        0.16110
C         -1.51110       -0.28100        0.01740
C          0.11960        1.51320        0.29740
C          1.61220        1.78220        0.31390
C         -0.09610       -0.20720        2.00970
H         -2.32180        0.32320        0.47450
H         -1.50670       -0.14480       -1.07640
H         -1.69350       -1.34500        0.23980
H         -0.40510        2.20500        0.99270
H         -0.21130        1.77020       -0.73210
H          1.93800        2.84050        0.43360
H         -0.88140        0.33510        2.57650
H         -0.20990       -1.29230        2.15670
H          0.89590        0.07880        2.39470
18
Zn_no04
Zn         0.54310       -0.81130       -0.50030
Cl         2.69870       -0.55300        0.03000
Cl        -0.63240       -2.01820       -2.01620
N         -0.78560       -0.59190        1.22140
O         -0.54460        1.12410       -0.83730
C         -1.83630        1.04410       -0.23630
C         -0.58140        1.63180       -2.19040
C         -0.70350       -1.38320        2.44580
C         -1.74930        0.23280        1.03220
H         -2.21980        2.06100       -0.01100
H         -2.56060        0.54960       -0.92250
H         -1.05800        2.62940       -2.20380
H         -1.11860        0.92730       -2.85060
H          0.46770        1.71930       -2.50890
H         -0.73670       -2.45330        2.17540
H          0.27110       -1.18860        2.92500
H         -1.52310       -1.15580        3.15400
H         -2.56170        0.36630        1.77180
21
Zn_no05
Zn         0.55130       -0.38730        1.02130
Cl        -0.57550        0.18290        2.87220
Cl         2.51750       -1.40150        0.56730
N         -0.85680       -0.85390       -0.64240
O          0.76860        1.44450       -0.29220
C         -0.51610        0.05110       -1.72290
C         -2.27230       -0.64030       -0.21320
C          2.04560        2.14330       -0.28530
C          0.28210        1.11700       -1.53970
C         -0.65230       -2.26410       -1.08210
H         -0.95350       -0.14610       -2.71180
H         -2.39620        0.39800        0.12820
H         -2.49590       -1.31210        0.63120
H         -2.97240       -0.84690       -1.04780
H          2.17790        2.51170        0.74130
H          2.85540        1.44420       -0.55080
H          2.00070        2.99300       -0.98890
H          0.54730        1.80650       -2.35000
H         -1.27470       -2.49650       -1.97060
H         -0.93800       -2.94050       -0.25950
H          0.41260       -2.41740       -1.31590
27
Zn_no06
C         -1.81540        1.20680       -0.70730
C         -2.88300        0.52080       -1.30420
C         -2.71530       -0.81730       -1.68370
C         -1.49220       -1.46990       -1.47020
C         -0.42610       -0.77620       -0.87280
C         -0.58080        0.57800       -0.48480
O          0.80610       -1.35470       -0.62980
N          0.53980        1.29220        0.14350
Zn         2.34030       -0.01680        0.25360
Cl         2.67300       -0.78310        2.34170
Cl         3.76270        0.48250       -1.41890
C          0.19720        1.68580        1.54470
C          0.92570        2.49420       -0.65690
C          1.01400       -2.74080       -0.97810
H         -1.94450        2.25280       -0.40810
H         -3.83740        1.03080       -1.47000
H         -3.53880       -1.36740       -2.15160
H         -1.37530       -2.51400       -1.77110
H         -0.04840        0.78500        2.12690
H          1.07740        2.16420        2.00460
H         -0.65450        2.39330        1.56890
H          1.20930        2.17960       -1.67220
H          0.10160        3.23230       -0.70500
H          1.80290        2.96640       -0.18490
H          0.89760       -2.88450       -2.06590
H          0.31290       -3.38430       -0.41950
H          2.04680       -2.96490       -0.67810
21
Zn_no07
Zn         0.07450        0.34620       -1.90110
Cl        -1.36780       -1.06940       -2.93270
Cl         1.60090        1.85870       -2.53170
N          0.71220       -0.58370       -0.03780
O         -1.37860        1.06160       -0.34650
C         -1.60390       -0.07610        0.50650
C         -2.61510        1.61540       -0.85400
C          1.94380       -1.06230        0.24090
C         -0.25370       -0.63510        0.90970
C         -0.01560       -1.19500        2.17340
C          1.25520       -1.71680        2.45410
C          2.25650       -1.64520        1.47420
H         -2.18350       -0.84390       -0.05010
H         -2.18040        0.23210        1.40080
H         -3.25700        1.92960       -0.01010
H         -2.33070        2.49430       -1.45090
H         -3.13700        0.87600       -1.48830
H          2.68800       -0.95880       -0.55600
H         -0.81290       -1.21350        2.92360
H          1.46520       -2.16120        3.43290
H          3.26500       -2.02600        1.66040
25
Zn_no08
Zn        -0.57080       -0.57450       -2.50590
Cl         0.71990       -1.31660       -4.18560
Cl        -2.31760        0.92080       -2.36880
N          0.81840        0.48280       -1.01580
O         -0.89790       -1.84690       -0.84470
P         -0.91830       -1.04680        0.47640
C         -2.58640       -0.55850        1.03250
C          0.03550        0.55560        0.23820
C         -0.15740       -1.98220        1.85470
C          1.14030        1.84540       -1.51010
C          2.05600       -0.31600       -0.85170
H         -3.05240        0.01850        0.21410
H         -3.18860       -1.46100        1.23080
H         -2.53660        0.05700        1.94840
H         -0.72230        1.34920        0.11760
H          0.66740        0.79250        1.12170
H         -0.73130       -2.90910        2.02190
H         -0.15960       -1.38480        2.78340
H          0.87990       -2.25310        1.59900
H          0.19990        2.38780       -1.70070
H          1.76330        2.40870       -0.78380
H          1.69120        1.75030       -2.46020
H          1.79950       -1.34430       -0.55010
H          2.73420        0.13700       -0.09670
H          2.56970       -0.37520       -1.82430
21
Zn_no09
Zn         1.43390       -1.01460        0.23980
Cl         1.11790       -2.07860       -1.78490
Cl         3.00680       -1.16220        1.81430
N          0.56280        0.95240        0.31630
O         -0.84310       -1.40490        0.31850
C         -0.80490        1.00990        0.20920
C         -1.51100        2.26080        0.15650
C         -2.92840        2.25390        0.01890
C         -3.61260        1.04900       -0.05320
C         -2.92360       -0.19070        0.02810
C         -1.54300       -0.21400        0.15970
H         -3.46480        3.20810       -0.02620
H         -4.70240        1.04360       -0.15960
H         -3.47070       -1.13850        0.00230
H         -1.23240        4.42180        0.21710
C         -0.72990        3.44810        0.24810
C          1.26040        2.08750        0.40760
H          2.34590        1.97940        0.51350
C          0.64800        3.36460        0.38100
H          1.26880        4.26150        0.46230
H         -0.71440       -1.86440       -0.56860
39
Zn_no10
Zn         5.33780       -0.42070       -4.47390
Cl         5.43660       -2.67190       -4.82000
Cl         6.06410        1.44230       -5.46250
O          3.05530        0.18010       -5.23110
H          2.88580        0.67030       -6.07160
C          2.00110        0.40910       -4.38100
C          2.26010       -0.15560       -2.96680
H          2.31550        0.73550       -2.31320
N          3.60080       -0.79300       -2.91880
H          3.57060       -1.81330       -3.09930
S          4.63360       -0.48380       -1.52240
O          5.95640       -0.35170       -2.21000
C          4.66980       -4.30350        1.02270
C          4.70920       -5.55320        1.87340
H          5.61420       -5.56240        2.51070
H          4.73980       -6.46480        1.25200
H          3.83480       -5.61780        2.54290
C          3.97540       -3.15360        1.45590
H          3.43980       -3.17400        2.41230
C          3.95830       -1.98210        0.68880
H          3.42620       -1.08830        1.02780
C          4.65360       -1.97210       -0.53070
C          5.35850       -3.09570       -0.99850
H          5.88740       -3.06770       -1.95800
C          5.35250       -4.25370       -0.21270
H          5.89480       -5.13790       -0.56720
O          4.03760        0.63990       -0.77070
C         -0.88420       -2.79650       -1.56420
H         -1.66950       -3.47040       -1.20390
C         -0.56200       -1.63980       -0.83840
H         -1.09550       -1.40620        0.08980
C          0.44390       -0.77580       -1.29950
H          0.69480        0.12800       -0.73180
C          1.13250       -1.06290       -2.49210
C          0.79940       -2.22270       -3.22220
H          1.31730       -2.45090       -4.16320
C         -0.20190       -3.08660       -2.75760
H         -0.45480       -3.98410       -3.33270
O          0.99630        1.01190       -4.69650
39
Zn_no11
Zn         4.05510       -0.74750       -5.02120
Cl         5.18110        0.94160       -5.92320
Cl         3.65620       -2.97620       -5.35510
O          0.72320        0.86960       -2.89300
C          1.78130        0.17470       -3.32980
C          2.51490       -0.54470       -2.18770
H          2.82550        0.23990       -1.47130
N          3.75120       -1.13900       -2.74860
H          3.63170       -2.14890       -2.96340
S          5.23850       -0.95650       -1.78760
O          6.30300       -1.09190       -2.79880
H          0.31150        1.29410       -3.68470
C          5.38510       -4.64600        0.96600
C          5.47300       -5.85280        1.87400
H          5.23160       -6.78470        1.33420
H          4.78960       -5.76430        2.73570
H          6.49790       -5.96550        2.27680
C          5.74250       -4.74290       -0.39710
H          6.06500       -5.70860       -0.80360
C          5.70350       -3.62700       -1.24150
H          6.00440       -3.70530       -2.29140
C          5.28500       -2.39490       -0.70940
C          4.92310       -2.26070        0.63960
H          4.62140       -1.28530        1.03260
C          4.97770       -3.39150        1.46600
H          4.70250       -3.29610        2.52310
O          5.03080        0.26450       -0.97940
C         -0.10030       -3.39880       -0.22550
H         -0.75670       -4.12220        0.27080
C          0.31190       -3.61630       -1.55050
H         -0.02180       -4.50780       -2.09260
C          1.14990       -2.69160       -2.19020
H          1.46690       -2.87310       -3.22670
C          1.58980       -1.54430       -1.49750
C          1.17300       -1.32740       -0.17190
H          1.50680       -0.43120        0.36450
C          0.32930       -2.25270        0.46160
H          0.01110       -2.07810        1.49550
O          2.09990        0.13410       -4.52340
19
Zn_no12
Zn         4.38630       -0.85610       -1.76700
Cl         3.43400       -1.67390       -3.63210
Cl         6.27800        0.05940       -1.00760
O          0.73930        0.18340        0.32230
C          1.71660       -0.35350       -0.15460
C          2.01440       -1.86100       -0.16060
H          1.64560       -2.22480       -1.14260
N          3.49050       -2.09470       -0.18780
H          3.89310       -1.78590        0.71040
C          3.86480       -3.51810       -0.41410
H          4.96390       -3.59300       -0.37800
H          3.52490       -3.81040       -1.42130
H          3.43550       -4.20170        0.34000
C          1.25440       -2.55680        0.97770
H          1.33230       -3.65250        0.89330
H          0.18890       -2.28150        0.93320
H          1.64170       -2.24660        1.96460
O          2.70510        0.36440       -0.80930
H          2.44520        1.31700       -0.80790
19
Zn_no13
Zn         4.49980       -2.20300       -1.17010
Cl         3.93600       -4.37510       -1.00990
Cl         6.28420       -0.84070       -1.27950
O          0.65000       -0.68850       -2.10150
C          1.84460       -1.03120       -1.59470
C          1.86470       -1.05660       -0.06040
H          1.37460       -2.01180        0.21650
N          3.27460       -1.16350        0.38290
H          3.70440       -0.22580        0.37620
C          3.44040       -1.76930        1.72690
H          3.16180       -2.83440        1.66880
H          2.83760       -1.26650        2.50750
H          4.50470       -1.70380        2.00350
H          0.73000       -0.75300       -3.08470
C          1.08590        0.11810        0.56400
H          1.52850        1.08640        0.26980
H          1.11050        0.04350        1.66410
H          0.03250        0.10940        0.24250
O          2.80620       -1.31890       -2.31660
26
Zn_no14
N         -1.09870        0.24110        0.80450
C         -0.76660        1.64240        0.40160
C          0.71410        1.91310        0.07890
C          1.27680        1.24720       -1.17880
O          1.37520       -0.18850       -0.97710
Zn        -0.59820       -1.13350       -0.82190
C         -0.41650       -0.15900        2.06040
C         -2.57120        0.13030        0.98420
C          2.16660       -0.83360       -2.00110
Cl        -1.63610       -0.25770       -2.65150
Cl        -0.31610       -3.22180       -0.03440
H         -1.08980        2.33070        1.21410
H         -1.37910        1.86300       -0.49140
H          0.80280        3.00550       -0.07810
H          1.36500        1.67870        0.94120
H          2.29760        1.63020       -1.37670
H          0.64040        1.44370       -2.06430
H          0.67530       -0.12870        1.92570
H         -0.70350        0.50900        2.90010
H         -0.69640       -1.19710        2.30080
H         -3.07260        0.36750        0.03130
H         -2.82320       -0.90370        1.27330
H         -2.93020        0.82310        1.77390
H          3.19960       -0.43950       -1.97510
H          1.72300       -0.67100       -3.00130
H          2.16780       -1.90740       -1.75800
24
Zn_no15
Zn         0.87850       -3.20000       -0.01890
Cl         1.39940       -4.01020        2.02110
Cl         1.53050       -3.89600       -2.06410
N          1.43580       -1.06080        0.06030
O         -1.03340       -2.38530       -0.06760
N         -1.53820       -1.18820       -0.07720
C         -3.65200        0.00530       -0.16240
C         -2.96570        1.22960       -0.12200
C         -1.57620        1.20120       -0.05860
C         -0.81230        0.00950       -0.03240
C         -2.92140       -1.16630       -0.13910
C          0.68070        0.07100        0.04250
C          1.32290        1.33550        0.09800
C          2.71490        1.42080        0.17020
C          3.47270        0.24430        0.18850
C          2.78160       -0.96840        0.13180
H         -4.74290       -0.05190       -0.21210
H         -3.49850        2.18420       -0.13930
H         -1.05040        2.15450       -0.02760
H         -3.34320       -2.17120       -0.16730
H          0.75620        2.26690        0.08690
H          3.19640        2.40340        0.21190
H          4.56460        0.25730        0.24490
H          3.31910       -1.92330        0.14410
44
Zn_no16
Zn         0.34560       -1.94250       -0.17970
Cl         1.27000       -3.41580        1.27050
Cl        -0.53510       -2.22610       -2.25610
O         -1.01920       -0.79360        0.90090
N          1.48160        0.00280       -0.22900
N         -1.49060        0.22940        0.21320
C         -3.41120        1.34430       -0.73500
C         -2.57590        2.40950       -1.11330
C         -1.20640        2.34900       -0.85010
C         -0.64540        1.24710       -0.19100
C         -2.84680        0.24390       -0.06560
C          0.82350        1.16330        0.03390
C          1.52270        2.33100        0.39070
C          2.91930        2.29430        0.44170
C          3.61140        1.12080        0.10440
C          2.83920       -0.02020       -0.23400
C         -4.89520        1.34960       -1.05920
C         -5.48710       -0.06990       -1.11190
C         -5.13290       -0.83490        0.17400
C         -3.60830       -0.98650        0.34660
C          5.13020        1.07720        0.10290
C          5.68980       -0.35600        0.15100
C          4.99160       -1.22440       -0.90840
C          3.48340       -1.33730       -0.61490
H         -2.99550        3.26980       -1.64630
H         -0.53520        3.13970       -1.19630
H          0.97440        3.24410        0.64060
H          3.48040        3.18910        0.73850
H         -5.05230        1.88240       -2.01550
H         -5.42750        1.94250       -0.28630
H         -6.58260       -0.01120       -1.24290
H         -5.08370       -0.60690       -1.99210
H         -5.59450       -1.83790        0.17340
H         -5.55380       -0.29380        1.04440
H         -3.22020       -1.82410       -0.26980
H         -3.33660       -1.24930        1.38460
H          5.51400        1.68210        0.94650
H          5.49460        1.57860       -0.81840
H          6.78230       -0.33340       -0.01340
H          5.52300       -0.79020        1.15610
H          5.42960       -2.23750       -0.94150
H          5.15010       -0.77690       -1.91000
H          3.30560       -2.05790        0.21110
H          2.94420       -1.75150       -1.48900
29
Zn_no17
Zn        -0.81840        0.38010        1.34740
Cl        -2.63930        1.70000        1.03280
Cl        -0.05980       -0.59440        3.26050
N         -0.85160       -1.20860       -0.16190
O          0.99520        1.26000        0.50970
C         -1.13040       -0.74610       -1.55640
C         -1.98310       -2.06990        0.28700
C          2.07300        1.59710        1.41150
C          1.01730        2.05970       -0.69780
C         -0.12230        0.23380       -2.18620
C         -0.12860        1.68490       -1.63410
C          0.40880       -1.99140       -0.08520
H         -2.12720       -0.26960       -1.53390
H         -1.20650       -1.64700       -2.20550
H         -2.91620       -1.48280        0.26840
H         -2.09280       -2.95620       -0.37210
H         -1.79080       -2.40550        1.31950
H          3.04440        1.42590        0.91050
H          1.96560        0.93690        2.28510
H          1.99770        2.65580        1.72430
H          0.94570        3.12990       -0.41710
H          2.00070        1.89620       -1.18720
H         -0.39850        0.26940       -3.25660
H          0.90110       -0.18810       -2.16700
H         -1.09160        1.90950       -1.13640
H         -0.05390        2.39310       -2.48100
H          0.37060       -2.87020       -0.76310
H          1.26240       -1.35370       -0.35870
H          0.55040       -2.32970        0.95400
27
Zn_no18
Zn         0.52920       -0.56220        0.83640
Cl         1.95520       -2.30440        0.52320
Cl         0.29340        0.87720        2.56850
N         -1.41390       -1.10750       -0.03510
O          1.12260        0.77130       -0.85610
C          0.61050        2.11780       -0.78800
C         -1.37450       -2.52450       -0.48480
C         -1.64090       -0.22330       -1.23440
C         -0.88660        2.18110       -0.69860
C         -1.83060        1.23550       -0.88190
C         -2.49280       -0.93030        0.97240
C          2.54090        0.75610       -1.14810
H          0.95260        2.66660       -1.69330
H          1.04550        2.63090        0.09550
H         -2.34170       -2.81660       -0.94430
H         -1.16710       -3.17610        0.37830
H         -0.56030       -2.65950       -1.21350
H         -0.77530       -0.36560       -1.90040
H         -2.54690       -0.58730       -1.76580
H         -1.23300        3.19060       -0.43650
H         -2.87140        1.55410       -0.74070
H         -3.48890       -1.14070        0.52940
H         -2.31930       -1.62660        1.80870
H         -2.46430        0.09670        1.36730
H          2.71610        1.19700       -2.14710
H          2.84920       -0.29870       -1.12210
H          3.10100        1.32660       -0.38310
33
Zn_no19
Zn         1.63170        0.73840        0.85440
Cl         3.18210        2.29770        1.45750
Cl         1.44250       -1.39680        1.55480
N         -0.35860        1.75000        0.93720
O          1.71380        0.91900       -1.32590
C          0.83320        0.28880       -2.28900
C         -1.07490        1.15030        2.09350
C         -1.13350        1.56700       -0.34030
C         -0.28690       -0.48610       -1.63200
C         -1.25280        0.12260       -0.78660
C         -0.17280        3.20500        1.17600
C          2.85670        1.53120       -1.96310
C         -0.42360       -1.84840       -1.96060
C         -1.50180       -2.60750       -1.48780
C         -2.47410       -2.00080       -0.68210
C         -2.34410       -0.64750       -0.34070
H          1.43470       -0.39210       -2.92250
H          0.43330        1.09070       -2.94780
H         -2.09140        1.58550        2.20140
H         -1.14070        0.05920        1.96870
H         -0.50030        1.35730        3.01120
H         -0.61530        2.17250       -1.10380
H         -2.14670        2.00300       -0.19940
H         -1.15270        3.71580        1.28730
H          0.38000        3.65010        0.33360
H          0.42760        3.35170        2.08680
H          2.51970        2.29890       -2.68630
H          3.44550        1.99810       -1.15940
H          3.45510        0.76320       -2.48910
H          0.33330       -2.32110       -2.59750
H         -1.58040       -3.66840       -1.74880
H         -3.32880       -2.57890       -0.31380
H         -3.10800       -0.17210        0.28670
49
Zn_no20
Zn         2.08430        0.73160       -3.34170
Cl         0.80040        0.26240       -5.14470
Cl         4.02970        1.86440       -3.16340
N          2.33590       -1.11430       -2.07490
O          0.61140        1.68920       -2.05310
C          2.37440        0.74120        4.07400
C          2.37540        1.88960        3.29820
C          1.91970        1.86150        1.94730
C          1.44660        0.61860        1.38440
C          1.46500       -0.54620        2.21100
C          1.91730       -0.48460        3.52110
C          1.92740        3.03280        1.13590
C          1.49250        2.99210       -0.17570
C          1.01660        1.76870       -0.71500
C          0.97640        0.58240        0.01980
C          0.38450       -0.67440       -0.55730
C         -0.93310       -1.04800       -0.09420
C         -1.67090       -0.24890        0.83610
C         -2.93700       -0.62300        1.26040
C         -3.54360       -1.81610        0.78300
C         -2.86480       -2.61010       -0.12620
C         -1.56330       -2.24970       -0.58630
C         -0.86170       -3.04120       -1.53310
C          0.39040       -2.66920       -1.98400
C          1.03180       -1.48460       -1.51300
C         -0.16670        2.78680       -2.60100
C          2.82890       -2.01640       -3.15700
C          3.42710       -1.00700       -1.05640
H          2.72840        0.77500        5.11040
H          2.73220        2.84140        3.71010
H          1.11410       -1.49590        1.79530
H          1.92240       -1.39210        4.13570
H          2.30310        3.97120        1.55950
H          1.53640        3.88580       -0.80410
H         -1.22750        0.67630        1.21480
H         -3.47620        0.01220        1.97260
H         -4.54350       -2.09970        1.12930
H         -3.31880       -3.52970       -0.51510
H         -1.32740       -3.95770       -1.91430
H          0.88790       -3.30430       -2.71820
H         -0.50360        2.42760       -3.58440
H          0.45050        3.69310       -2.72400
H         -1.02580        2.98780       -1.94010
H          3.03440       -3.03790       -2.77960
H          3.77350       -1.59060       -3.53440
H          2.10580       -2.05270       -3.98700
H          3.67890       -2.01310       -0.66600
H          3.12330       -0.36130       -0.22510
H          4.30820       -0.55610       -1.53970
11
Zn_oo_ch01
Zn        -0.17630       -1.35620        0.14870
Cl        -2.35050       -1.78280        0.79020
Cl         1.32180       -3.02890       -0.38070
O         -0.16930        0.09210       -1.35480
O          0.70790       -0.06390        1.52620
C          0.27940        1.26960       -1.16560
C          0.83880        1.82240        0.00810
C          1.00980        1.13880        1.23280
H          0.22380        1.95650       -2.04590
H          1.17070        2.86640       -0.03480
H          1.47340        1.73500        2.05680
17
Zn_oo_ch02
Zn        -0.72420       -1.74700        0.26200
Cl        -2.93490       -2.11490        0.82570
Cl         0.72620       -3.49340       -0.16910
O         -0.60580       -0.32760       -1.25490
O          0.12810       -0.44070        1.61840
C         -0.13100        0.85060       -1.10300
C          0.39220        1.40930        0.09020
C          0.48120        0.75940        1.34750
C         -0.14670        1.72330       -2.36040
C          1.06280        1.54070        2.52610
H          0.74860        2.44380        0.04140
H          0.42940        1.22180       -3.15930
H         -1.18490        1.82220       -2.72710
H          0.27110        2.73120       -2.19210
H          0.30030        1.62280        3.32210
H          1.40290        2.55340        2.24770
H          1.91340        0.97760        2.95130
31
Zn_oo_ch03
Zn        -0.90380       -2.53640        0.00110
Cl        -3.07040       -2.82120        0.72770
Cl         0.43450       -4.32060       -0.55950
O         -0.85360       -1.10590       -1.50880
O          0.10140       -1.25940        1.28790
C         -0.37020        0.07420       -1.38400
C          0.24000        0.61670       -0.22290
C          0.44480       -0.05610        1.00950
C         -0.50390        0.96300       -2.59970
C          1.10320        0.70410        2.13810
C          0.32250        2.08220       -2.83860
C          0.15000        2.87030       -3.98580
C         -0.85450        2.55410       -4.91520
C         -1.67490        1.43490       -4.69400
C         -1.49460        0.64260       -3.55280
C          1.93940        1.82400        1.94060
C          2.52040        2.48640        3.03180
C          2.27340        2.04170        4.34090
C          1.45140        0.92090        4.54840
C          0.88040        0.25400        3.45710
H          0.51000        1.67380       -0.25730
H          1.12720        2.32470       -2.13600
H          0.80920        3.72990       -4.15880
H         -0.99190        3.17250       -5.81090
H         -2.45780        1.17670       -5.41770
H         -2.11440       -0.24080       -3.36850
H          2.16150        2.16530        0.92370
H          3.17630        3.34850        2.85800
H          2.72490        2.56200        5.19470
H          1.25700        0.56310        5.56690
H          0.24760       -0.62850        3.59520
21
Zn_oo_ch04
Zn         1.23080        2.69180       -0.83430
Cl         0.71430        3.32380       -2.98940
Cl         2.97050        3.69040        0.30250
O          1.35180        0.63480       -0.69050
O         -0.48390        2.67090        0.34420
C         -0.51630        0.26380        0.79230
C         -1.30980       -0.75870        1.60650
C         -1.20760       -2.18730        1.04740
C          0.27250       -2.56460        0.87590
C          0.94860       -1.62640       -0.13770
C          0.59810       -0.13650       -0.00190
C         -0.95510        1.61140        0.87020
H         -0.95580       -0.78210        2.66240
H         -2.37280       -0.44680        1.65870
H         -1.71920       -2.24240        0.06480
H         -1.72060       -2.90080        1.72240
H          0.77850       -2.48180        1.85970
H          0.38430       -3.61810        0.55210
H          0.66360       -1.91580       -1.17050
H          2.05070       -1.70690       -0.10010
H         -1.87560        1.75840        1.49230
24
Zn_oo_ch05
Zn         1.55520        2.29560       -0.83310
Cl         1.16890        2.66560       -3.08220
Cl         3.12910        3.54970        0.30310
O          1.78860        0.29180       -0.43670
O         -0.22130        2.23230        0.21010
C         -0.28070       -0.13620        0.75100
C         -1.13790       -1.19820        1.44880
C         -0.74490       -2.64880        1.12100
C          0.76920       -2.83180        1.27810
C          1.49000       -1.93550        0.26270
C          0.98050       -0.48600        0.18240
C         -0.77070        1.21040        0.74770
C         -2.09520        1.51300        1.45830
H         -1.09290       -1.07320        2.55580
H         -2.20550       -1.05800        1.18690
H         -1.03170       -2.88770        0.07630
H         -1.30600       -3.34460        1.77590
H          1.06570       -2.55060        2.30950
H          1.06630       -3.89030        1.13990
H          1.38890       -2.36500       -0.75580
H          2.57660       -1.87760        0.45670
H         -2.23780        2.60460        1.46370
H         -2.95180        1.04650        0.93370
H         -2.10790        1.13430        2.49760
31
Zn_oo_ch06
Zn         3.10050        2.09490       -1.35960
Cl         3.09030        1.39570       -3.56180
Cl         4.08830        4.07650       -0.74870
O          3.64870        0.54560       -0.11910
O          1.19260        1.88130       -0.60410
C          1.45250       -0.25040        0.53570
C          0.68570       -1.42880        1.15240
C          1.44360       -2.76390        1.06560
C          2.82950       -2.60070        1.70210
C          3.63960       -1.57010        0.90170
C          2.87550       -0.32930        0.40560
C          0.72650        0.88510        0.05420
C         -0.77080        0.99530        0.27620
C         -1.57660        1.34950       -0.82740
C         -2.95840        1.52600       -0.67780
C         -3.55600        1.38720        0.58700
C         -2.75930        1.06840        1.69800
C         -1.37870        0.86590        1.54130
H          0.46160       -1.25260        2.22810
H         -0.29940       -1.53030        0.66110
H          1.55460       -3.06680        0.00460
H          0.86130       -3.55840        1.57290
H          2.70330       -2.25890        2.75020
H          3.37440       -3.56420        1.74890
H          4.05650       -2.04350       -0.01040
H          4.51550       -1.20110        1.46730
H         -1.09410        1.49040       -1.80040
H         -3.57160        1.78560       -1.54960
H         -4.63620        1.53650        0.70700
H         -3.21280        0.98050        2.69320
H         -0.76120        0.62910        2.41440
13
Zn_oo_ch07
Zn         0.96440        1.36670        0.11400
Cl         0.72730        3.07070        1.66860
Cl         1.25890        1.90150       -2.12190
O         -0.92150        0.13290        0.26790
O          1.76540       -0.34560        0.73990
C         -1.65110       -2.06560        0.90230
C         -0.59450       -0.99370        0.68130
C          0.86590       -1.32360        0.97680
H         -2.43710       -1.68330        1.57770
H         -1.21820       -2.98770        1.32920
H         -2.13780       -2.30960       -0.05970
H          0.82770       -1.69040        2.05160
H          1.04360       -2.28440        0.40010
21
Zn_oo_ch08
Zn         1.74550        2.25110       -0.10630
Cl         1.49680        4.07240       -1.47640
Cl         2.97860        2.35070        1.84450
N          2.28490       -0.62420       -0.78020
O          0.05980        1.14650        0.11050
C          0.99350       -2.48960        0.12510
C         -0.20290       -3.00720        0.67980
H         -0.26930       -4.08170        0.88530
C         -1.26260       -2.14170        0.95430
H         -2.19430       -2.54180        1.37650
C         -1.15500       -0.76680        0.72160
H         -1.97650       -0.08620        0.96950
C          0.02350       -0.14360        0.20820
C          1.10600       -1.06950       -0.15410
O          2.44110        0.60670       -1.21820
C          3.32010       -1.47280       -1.03080
H          4.16990       -0.98080       -1.50410
C          3.24540       -2.84060       -0.73140
H          4.10880       -3.47350       -0.96150
C          2.08990       -3.35380       -0.17060
H          1.99410       -4.42260        0.05290
16
Zn_oo01
Zn         0.09040       -0.47310        1.19420
Cl        -0.32420        1.11650        2.69250
Cl         0.66770       -2.61480        0.92680
O         -1.07430       -0.20010       -0.73670
O          1.03060        0.63930       -0.59030
C          0.13280        0.02880       -1.49130
C         -1.92790       -1.21800       -1.31010
C          0.90670        2.09010       -0.50930
H          0.57910       -0.93590       -1.79460
H         -0.07790        0.67810       -2.36370
H         -2.25200       -0.91560       -2.32230
H         -1.40100       -2.18920       -1.34180
H         -2.80410       -1.28710       -0.65010
H          1.25660        2.53340       -1.45800
H          1.55520        2.40150        0.32050
H         -0.13200        2.38760       -0.29080
19
Zn_oo02
Zn         0.32020       -0.41630        0.91600
Cl        -0.11290        1.05630        2.54180
Cl         1.07460       -2.50700        0.62700
O         -1.25830       -0.31980       -0.64480
O          1.24820        0.88070       -0.63530
C         -0.62160        0.07050       -1.87880
C         -2.06700       -1.51060       -0.78180
C          2.05090        1.98490       -0.16010
C          0.23730        1.28800       -1.57720
H         -0.00070       -0.76280       -2.26460
H         -1.39410        0.32910       -2.62920
H         -2.84940       -1.34140       -1.54440
H         -1.43970       -2.38030       -1.04800
H         -2.53630       -1.67930        0.19860
H          2.55630        2.47030       -1.01580
H          2.80080        1.55560        0.51960
H          1.42870        2.71330        0.39060
H         -0.37970        2.10070       -1.14340
H          0.71820        1.65360       -2.50580
17
Zn_oo03
Zn         0.60300       -0.70690        0.81520
Cl        -0.64040        0.46310        2.28110
Cl         2.10800       -2.33910        0.80930
O         -0.83630       -0.96000       -0.87580
O          1.17960        0.89720       -0.62800
C         -0.76860        0.12570       -1.73710
C         -2.18900       -1.37910       -0.53500
C          1.64730        2.15480       -0.06110
C          0.21530        1.03260       -1.61570
H         -1.50050        0.14890       -2.55070
H         -2.76860       -1.52150       -1.46370
H         -2.08430       -2.33840       -0.00900
H         -2.66340       -0.62940        0.11940
H          1.95630        2.82790       -0.87960
H          2.51580        1.90020        0.56220
H          0.85300        2.61130        0.55190
H          0.35250        1.85770       -2.32200
17
Zn_oo04
Zn        -1.14080       -0.40470       -1.46120
Cl        -2.62600        0.58380       -2.78240
Cl         0.13260       -2.27220       -1.35860
O         -1.30500        0.06470        0.67110
O          0.54480        0.99350       -0.98820
C         -0.09950        0.54030        2.69330
C         -0.24210        0.41990        1.20050
C          0.97770        0.73200        0.34210
C          1.63270        1.02580       -1.94230
H          0.89340        0.19420        3.03170
H         -0.89690       -0.02510        3.19790
H         -0.18640        1.60750        2.97640
H          1.53850        1.59620        0.75400
H          1.63780       -0.16470        0.38020
H          2.35750        1.81090       -1.65950
H          1.17590        1.27500       -2.91120
H          2.12490        0.03770       -1.99530
32
Zn_oo05
Zn         3.13450        3.77560        0.33600
Cl         4.42940        3.45750        2.12730
Cl         3.05130        5.30730       -1.38530
O          1.31960        2.81920        0.43690
O          3.39360        2.32150       -1.55050
C         -0.58680        1.26600       -0.94250
P          1.11620        1.49870       -0.34590
C          2.24990        1.52010       -1.85480
H          3.29570        3.20810       -2.00620
C         -1.05160        2.02390       -2.04220
C         -2.37960        1.89780       -2.47140
C         -3.25580        1.02430       -1.80540
C         -2.80450        0.28170       -0.70240
C         -1.47590        0.39980       -0.26910
C          1.60490        0.06460        0.65900
C          1.40910       -1.26440        0.22050
C          1.88080       -2.33010        0.99940
C          2.55540       -2.07540        2.20660
C          2.75830       -0.75560        2.63720
C          2.28320        0.31840        1.86930
H          2.58180        0.48850       -2.06840
H          1.70420        1.90270       -2.73550
H         -0.38910        2.73190       -2.55270
H         -2.73180        2.48670       -3.32510
H         -4.29370        0.92890       -2.14260
H         -3.48950       -0.38910       -0.17250
H         -1.12930       -0.17640        0.59500
H          0.88220       -1.47030       -0.71920
H          1.72340       -3.36110        0.66380
H          2.92800       -2.91080        2.80970
H          3.29450       -0.55180        3.57010
H          2.45870        1.34870        2.19720
22
Zn_oo06
Zn         0.09450       -0.38910        1.34900
Cl        -0.97390       -0.07440        3.28300
Cl         1.99460       -1.43910        0.69020
O         -1.33360       -1.06930       -0.12970
O          0.23540        1.44550        0.19490
C         -0.87310       -0.96100       -1.50230
C         -1.78910       -2.40260        0.19910
C          1.20920        2.32360        0.80730
C          0.49890        1.23420       -1.21810
C         -0.68490        0.51350       -1.86840
H          0.06910       -1.53360       -1.61570
H         -1.64830       -1.41210       -2.15210
H         -2.64430       -2.67130       -0.44810
H         -0.97390       -3.14020        0.07630
H         -2.11420       -2.36640        1.25020
H          1.18660        3.30880        0.30590
H          2.22480        1.88920        0.74670
H          0.90610        2.43640        1.85970
H          1.43840        0.65690       -1.32900
H          0.63140        2.23030       -1.68420
H         -1.61750        1.06840       -1.65770
H         -0.52430        0.55650       -2.96290
25
Zn_oo07
Zn        -0.30100        0.20090        1.51130
Cl        -2.25010        1.15660        2.07890
Cl         1.28590       -0.95640        2.62820
O         -0.62910       -1.09180       -0.21670
O          0.87190        1.62560        0.30860
C         -1.43460       -0.67570       -1.34800
C         -0.72680       -2.50870        0.04660
C          1.99800        2.12590        1.07050
C          1.25170        1.11640       -1.00220
C         -1.29350        0.82860       -1.56730
C          0.10200        1.33380       -1.99360
H         -1.09330       -1.25020       -2.23470
H         -2.49330       -0.93710       -1.14980
H         -0.05830       -2.71390        0.89620
H         -1.76780       -2.78570        0.29950
H         -0.39620       -3.07570       -0.84380
H          2.48390        2.94410        0.50820
H          2.72000        1.32020        1.29210
H          1.58810        2.51890        2.01330
H          2.14220        1.67800       -1.34270
H          1.53030        0.05080       -0.90690
H         -1.63940        1.35840       -0.65930
H         -2.01390        1.10030       -2.36220
H          0.40200        0.85240       -2.94610
H          0.02050        2.41720       -2.19910
59
Zn_oo08
Zn        -2.36820        2.22420       -0.74190
Cl        -2.69640        4.41170       -1.23510
Cl        -3.59070        0.31990       -0.81930
O         -1.40070        2.05350        1.17480
O         -0.41750        1.87860       -1.57440
C          0.62730        1.00390        0.70070
C          1.41880       -0.14720        0.68070
C          0.88870       -1.36450        1.18710
C         -0.42380       -1.37230        1.67910
H         -0.87710       -2.29610        2.05250
C         -1.19340       -0.21110        1.66770
H         -2.23550       -0.13920        1.98020
N         -0.66530        0.95640        1.19930
C          1.61190        4.78870       -0.97690
H          1.80250        5.75460       -1.45550
C          0.71780        3.91000       -1.58440
H          0.15420        4.10980       -2.49590
N          0.45170        2.70070       -1.01220
C          1.04480        2.33160        0.18490
C          1.92720        3.19970        0.83200
C          2.22640        4.45550        0.23810
C          3.17210        5.35250        0.99520
H          3.38470        6.29200        0.45630
C          2.70690        5.44750        2.51610
C          1.20840        5.55470        2.82950
H          0.58970        4.80210        2.31410
H          0.82350        6.54930        2.53730
H          1.03760        5.44430        3.91690
C          3.44790        6.57120        3.26520
H          4.53790        6.57220        3.09490
H          3.28100        6.47500        4.35410
H          3.05970        7.55940        2.95660
C          3.42770        4.04970        2.67190
H          3.88430        3.82030        3.65170
C          4.36090        4.46370        1.49390
H          4.70660        3.66760        0.81020
H          5.22800        5.05870        1.81780
C          2.51760        2.89260        2.20560
H          1.69460        2.72290        2.92700
H          3.10010        1.95130        2.17730
C          1.78460       -2.57450        1.11270
H          1.32070       -3.47220        1.55730
C          2.39350       -2.69270       -0.35540
C          1.49340       -2.39250       -1.56150
H          0.94190       -1.44160       -1.48100
H          0.74400       -3.19470       -1.69320
H          2.09760       -2.35430       -2.48750
C          3.07400       -4.05700       -0.57600
H          3.74000       -4.35740        0.25060
H          3.68040       -4.03330       -1.50060
H          2.31360       -4.85020       -0.69870
C          3.41410       -1.59090        0.13690
C          3.20960       -2.13040        1.58460
H          3.86200       -2.98350        1.82470
H          3.25300       -1.40130        2.41340
H          4.43070       -1.61140       -0.29570
C          2.80500       -0.17500        0.04170
H          2.72730        0.15060       -1.01380
H          3.47730        0.55170        0.53860
91
Zn_oo09
Zn         0.65940       -0.12660       -2.48280
Cl        -0.07980        1.65340       -3.65790
Cl         0.22500       -2.35080       -2.38750
O          0.68160        0.62130       -0.44570
O          2.81100       -0.06970       -2.48120
C          2.85230        0.09570        0.18230
C          3.75710       -0.70580        0.87960
C          3.25940       -1.66920        1.79450
C          1.87450       -1.75360        1.99180
H          1.45830       -2.45650        2.72130
C          0.97660       -0.96280        1.26310
N          1.48700       -0.08640        0.32460
C          3.94890        3.35190       -2.31560
H          4.23760        4.15180       -3.00530
C          3.58300        2.11570       -2.86990
N          3.22910        1.09550       -2.01330
C          3.24920        1.26900       -0.64250
C          3.61070        2.49390       -0.07630
C          3.96390        3.56750       -0.93530
C          4.34450        4.86790       -0.27520
H          4.63350        5.64350       -1.00540
C          3.25980        5.24110        0.82990
C          1.77410        5.00750        0.52380
H          1.17000        5.15110        1.43940
H          1.54940        4.00330        0.12800
H          1.41420        5.74010       -0.22210
C          3.43830        6.68800        1.32780
H          2.83650        6.85170        2.24110
H          3.08210        7.40360        0.56390
H          4.48340        6.94790        1.56750
C          4.03290        4.19910        1.73280
H          4.04950        4.38370        2.82200
C          5.31420        4.51810        0.90460
H          5.86180        5.39710        1.27670
H          6.03170        3.69580        0.73100
C          3.58440        2.75290        1.42830
H          4.24670        2.03740        1.95360
H          2.56400        2.57040        1.81700
C          4.28820       -2.50000        2.51990
H          3.83350       -3.20840        3.23330
C          5.35750       -3.06010        1.48000
C          4.87280       -3.57380        0.11750
H          5.73650       -3.76020       -0.54830
H          4.18910       -2.88470       -0.40480
H          4.33900       -4.53480        0.23570
C          6.25780       -4.13430        2.11890
H          6.65780       -3.84620        3.10590
H          7.12000       -4.34510        1.45930
H          5.69900       -5.07970        2.24640
C          5.99800       -1.61810        1.57850
C          5.40470       -1.51750        3.01640
H          5.07300       -0.52280        3.36600
H          6.05280       -1.96700        3.78390
H          7.09290       -1.53900        1.45280
C          5.26460       -0.61530        0.66190
H          5.62320        0.41290        0.86550
H          5.49020       -0.81460       -0.40390
C         -3.21530       -0.61320        2.17610
H         -4.27450       -0.48030        2.40890
C         -2.23530       -0.21290        3.09480
C         -2.63570        0.36890        4.43290
F         -2.68430       -0.58940        5.40350
F         -3.86210        0.95570        4.38460
F         -1.74280        1.31150        4.85550
C         -0.87640       -0.36470        2.78170
H         -0.11470       -0.02690        3.49220
C         -0.48810       -0.90330        1.53840
C         -1.46940       -1.31840        0.61750
H         -1.16990       -1.73220       -0.35480
C         -2.82740       -1.16890        0.94790
C         -3.88170       -1.60570       -0.05160
F         -3.67100       -1.04420       -1.26980
F         -5.13560       -1.25340        0.35680
F         -3.87290       -2.95720       -0.21560
C          3.74950        1.69480       -7.13870
H          3.83790        1.62810       -8.22590
C          4.33950        0.71890       -6.32100
C          5.08980       -0.44110       -6.94120
F          5.44830       -0.18010       -8.22940
F          4.34400       -1.57790       -6.94780
F          6.23300       -0.71650       -6.24540
C          4.24020        0.80180       -4.92330
H          4.70330        0.03650       -4.29570
C          3.56780        1.89090       -4.33490
C          2.97100        2.86760       -5.15600
H          2.41530        3.69320       -4.70280
C          3.05870        2.76420       -6.55090
C          2.37300        3.79570       -7.42320
F          1.08230        3.46180       -7.67770
F          3.00430        3.92840       -8.62590
F          2.36510        5.02290       -6.82580
25
Zn_oo10
Zn         0.12200       -3.08120       -1.21950
Cl        -1.72480       -4.23570       -0.62330
Cl         2.03370       -3.44660       -2.36960
O          0.82240       -1.91750        0.43720
O         -0.69330       -1.18260       -1.78160
N         -1.37700       -0.59690       -0.82960
N          1.45070       -0.82410        0.08020
C         -3.47980       -0.13160        0.22450
C         -2.86360        0.79290        1.08270
C         -1.47680        0.97110        0.99200
C         -0.72910        0.25430        0.05240
C         -2.72430       -0.82060       -0.71970
C          0.73550        0.35200       -0.08860
C          1.42090        1.54150       -0.35520
C          2.81390        1.54140       -0.50640
C          3.50100        0.32180       -0.40200
C          2.80660       -0.84970       -0.11500
H         -4.55330       -0.33320        0.27950
H         -3.44600        1.34390        1.82660
H         -0.94450        1.64100        1.67380
H         -3.10740       -1.56490       -1.41890
H          0.83610        2.45760       -0.48040
H          3.34800        2.46960       -0.72820
H          4.58330        0.26270       -0.54700
H          3.24720       -1.84340       -0.02840
45
Zn_oo11
Zn        -0.07760       -2.28230       -0.16040
Cl         1.47470       -3.23630        1.19740
Cl        -1.67280       -3.22100       -1.47720
O         -0.96010       -0.66670        0.89610
O          0.86860       -0.74750       -1.28340
N         -1.51060        0.28090        0.16300
N          1.47880        0.17730       -0.56750
C         -3.48600        1.30770       -0.76370
C         -2.68240        2.33930       -1.28190
C         -1.30100        2.32690       -1.06740
C         -0.70830        1.28170       -0.35430
C         -2.88280        0.27450       -0.02090
C          0.74250        1.23790       -0.07180
C          1.40180        2.25580        0.62250
C          2.78040        2.17960        0.84320
C          3.51480        1.08630        0.34970
C          2.84700        0.08350       -0.37920
C         -4.98960        1.29340       -0.99240
C         -5.61200       -0.09850       -0.78230
C         -5.15420       -0.68050        0.56540
C         -3.62620       -0.87640        0.59780
C          5.01180        0.97110        0.59160
C          5.53570       -0.46470        0.41000
C          5.05140       -1.03340       -0.93410
C          3.51430       -1.12370       -0.97680
H         -3.14050        3.14400       -1.86750
H         -0.65320        3.10530       -1.48100
H          0.80690        3.08490        1.01640
H          3.28940        2.96300        1.41520
H         -5.19940        1.67350       -2.00990
H         -5.45940        2.01640       -0.29340
H         -6.71340       -0.02090       -0.82410
H         -5.30230       -0.77330       -1.60300
H         -5.64300       -1.65130        0.75900
H         -5.46610        0.00110        1.38200
H         -3.32840       -1.79420        0.04650
H         -3.25290       -1.02490        1.62770
H          5.23870        1.35170        1.60530
H          5.53700        1.64800       -0.11410
H          6.63920       -0.46600        0.46420
H          5.16850       -1.10260        1.23670
H          5.47220       -2.03930       -1.10800
H          5.41740       -0.38820       -1.75770
H          3.15280       -2.00910       -0.41130
H          3.13730       -1.26280       -2.00680
24
Zn_pn01
Zn        -0.09350        0.45520        0.06870
Cl        -0.41620        2.68450       -0.25480
Cl        -0.13920       -1.02220        1.75440
P          1.60830        0.14470       -1.96800
N         -1.07520       -0.38970       -1.81510
C         -0.07690        0.08460       -2.81770
C         -2.43120        0.12430       -2.12050
C         -1.08480       -1.86770       -1.72160
H         -0.10190       -0.52210       -3.74780
H         -0.32610        1.12960       -3.06900
H         -2.78420       -0.21890       -3.11560
H         -2.41230        1.22560       -2.08680
H         -3.13190       -0.23880       -1.35060
H         -1.38160       -2.33160       -2.68660
H         -1.78740       -2.17710       -0.93200
H         -0.08540       -2.23340       -1.43400
C          2.57010       -1.29240       -2.65600
H          3.60170       -1.24560       -2.26690
H          2.12830       -2.24380       -2.31710
H          2.60630       -1.28120       -3.75980
C          2.41500        1.61130       -2.76530
H          3.45430        1.69230       -2.40370
H          2.42460        1.54340       -3.86750
H          1.86860        2.51570       -2.44860
38
Zn_pn02
Zn         1.32430       -2.08970        1.89470
Cl         1.94970       -3.57000        0.30610
Cl         1.16330       -2.01420        4.14390
P         -0.54370       -0.61830        0.71010
N          2.12180       -0.09450        1.10020
C         -1.51130        0.67460        1.60090
C          1.05260        0.19820        0.10180
C         -1.46770       -0.95780       -0.84320
C          3.45080       -0.18570        0.44820
C          2.14360        0.92240        2.17920
C         -1.53840        0.60870        3.01210
C         -2.23870        1.57820        3.74770
C         -2.92700        2.60540        3.08470
C         -2.91660        2.66590        1.68040
C         -2.21470        1.70460        0.93930
C         -2.31160       -2.08830       -0.87140
C         -3.05070       -2.39260       -2.02410
C         -2.94720       -1.58000       -3.16400
C         -2.09910       -0.46070       -3.15070
C         -1.36430       -0.14720       -1.99690
H          0.96980        1.28480       -0.10610
H          1.30700       -0.32790       -0.83420
H          3.71430        0.75840       -0.07360
H          3.44640       -1.02490       -0.26590
H          4.21230       -0.38920        1.21930
H          2.41380        1.92260        1.77790
H          2.87690        0.62220        2.94400
H          1.15590        0.98430        2.66130
H         -1.00380       -0.19650        3.53330
H         -2.25050        1.52260        4.84180
H         -3.47560        3.35910        3.66080
H         -3.46050        3.46300        1.16070
H         -2.22990        1.74480       -0.15580
H         -2.37980       -2.73710        0.00930
H         -3.70040       -3.27450       -2.03370
H         -3.51750       -1.82500       -4.06660
H         -2.00860        0.17140       -4.04140
H         -0.70590        0.72920       -2.00260
33
Zn_pn03
Zn         1.87200       -2.10160       -2.70920
Cl         3.50040       -3.18830       -1.60140
Cl         0.37110       -2.46660       -4.34000
P          0.63810       -0.43840       -0.92080
N          2.54270        0.03380       -2.71030
C          1.04560       -0.17190        0.85570
C          1.89090        0.63950       -1.77910
C         -0.91440        0.47180       -1.28760
C          3.54750        0.72180       -3.51370
C          0.13700        0.35690        1.79500
C          0.50840        0.46820        3.14410
C          1.78130        0.05300        3.56440
C          2.68150       -0.49410        2.63530
C          2.31600       -0.61990        1.28760
C         -1.88060       -0.20800       -2.06100
C         -3.07070        0.44040       -2.42620
C         -3.30070        1.76650       -2.02960
C         -2.33850        2.45190       -1.26770
C         -1.14770        1.81100       -0.89820
H          2.05960        1.70770       -1.53510
H          3.67490        1.78230       -3.22450
H          4.50670        0.18570       -3.40350
H          3.24980        0.65660       -4.57500
H         -0.86010        0.67920        1.47740
H         -0.20380        0.88010        3.86820
H          2.06740        0.14350        4.61830
H          3.66890       -0.83890        2.96130
H          3.00750       -1.09060        0.57660
H         -1.68670       -1.23290       -2.39730
H         -3.81470       -0.09320       -3.02740
H         -4.22970        2.27140       -2.31730
H         -2.51470        3.48980       -0.96350
H         -0.40320        2.35070       -0.30140
19
Zn_pn04
Zn        -0.32960        0.58660        0.04220
Cl        -0.21760        2.83460       -0.09780
Cl        -0.59200       -1.04960        1.54330
P          1.42740       -0.01180       -2.01070
N         -1.22650       -0.02190       -1.93060
C         -0.26000       -0.22530       -2.75640
C         -2.62150       -0.12700       -2.34340
H         -2.73470       -0.45890       -3.39320
H         -3.09530        0.86230       -2.21290
H         -3.13330       -0.83250       -1.66630
C          2.31050       -1.53280       -2.63170
H          3.37110       -1.46250       -2.33510
H          1.88170       -2.42610       -2.14820
H          2.25430       -1.64160       -3.72900
C          2.13310        1.35160       -3.06590
H          3.19650        1.48040       -2.79960
H          2.05580        1.14400       -4.14720
H          1.60360        2.28670       -2.81830
H         -0.44380       -0.50320       -3.81590
27
Zn_pn05
Zn         0.02040       -0.11920        0.14600
Cl         0.36600        2.00290        0.93110
Cl        -0.26750       -2.15680        1.07840
P          1.37440       -0.00480       -2.03040
N         -1.72820        0.19870       -1.27390
C         -0.05550        0.40740       -3.17770
C         -1.24680        1.02610       -2.41720
C         -2.28250       -1.10090       -1.72120
C         -2.76790        0.95190       -0.52730
H         -2.08460        1.20780       -3.12730
H         -0.95200        2.00320       -1.99340
H         -3.14000       -0.95600       -2.41310
H         -2.60820       -1.67250       -0.83830
H         -1.50720       -1.69800       -2.22670
H         -3.63310        1.19880       -1.17910
H         -2.32620        1.87770       -0.12380
H         -3.12230        0.33540        0.31540
H          0.27130        1.10900       -3.96740
H         -0.35550       -0.52600       -3.68760
C          2.26470       -1.35910       -2.92810
H          1.63560       -2.26520       -2.94170
H          2.52150       -1.07570       -3.96420
H          3.19240       -1.60280       -2.38290
C          2.50060        1.45520       -2.16970
H          3.43240        1.24350       -1.61770
H          2.74530        1.69680       -3.21920
H          2.01830        2.31780       -1.67990
41
Zn_pn06
Zn         2.02800        0.97110        1.85920
Cl         4.13630        1.41810        1.16200
Cl         0.62650        2.00820        3.34610
P          0.49350       -0.06550        0.07530
N          1.97160       -1.14060        2.64190
C         -1.12360        0.69030       -0.37490
C          1.23120       -0.71370       -1.47920
C          0.04650       -1.62970        1.04900
C          0.55640       -1.58670        2.50480
C          2.91840       -2.02730        1.92580
C          2.33510       -1.08150        4.08100
C         -1.60790        0.73750       -1.69810
C         -2.84000        1.35090       -1.97390
C         -3.59520        1.92030       -0.93780
C         -3.10930        1.88870        0.37940
C         -1.87600        1.28550        0.66400
C          2.44230       -0.14750       -1.93320
C          3.04120       -0.62040       -3.11290
C          2.44230       -1.65710       -3.84470
C          1.23940       -2.22920       -3.39480
C          0.63560       -1.76220       -2.21850
H          0.43240       -2.59350        2.96290
H         -0.04770       -0.87200        3.09250
H          2.87360       -3.06530        2.31910
H          3.93820       -1.62920        2.04880
H          2.69490       -2.03950        0.84690
H          2.25930       -2.08320        4.55480
H          1.66650       -0.37190        4.59530
H          3.37280       -0.72010        4.17380
H         -1.02390        0.30110       -2.51500
H         -3.20660        1.38520       -3.00630
H         -4.55510        2.40100       -1.15790
H         -3.68180        2.35300        1.19030
H         -1.47660        1.31890        1.68550
H          2.93070        0.64290       -1.34970
H          3.98430       -0.17840       -3.45270
H          2.91340       -2.02580       -4.76280
H          0.76950       -3.04090       -3.96190
H         -0.30750       -2.20830       -1.88020
H         -1.05050       -1.75170        1.06250
H          0.46550       -2.49370        0.50440
25
Zn_pn07
Zn        -0.18130        1.01260       -0.11170
Cl        -0.36680       -0.63100        1.42090
Cl        -0.03690        3.28460        0.03590
P          1.16370        0.66090       -2.25590
N         -1.93160        0.67510       -1.58580
C         -0.25070        0.89680       -3.39130
C         -1.52620        0.91800       -2.95500
C         -2.43670       -0.72400       -1.45150
C         -2.99750        1.64200       -1.19830
H         -3.32990       -0.89110       -2.08830
H         -2.68620       -0.90700       -0.39410
H         -1.64320       -1.42860       -1.74400
H         -3.87460        1.56440       -1.87510
H         -2.58490        2.66250       -1.22310
H         -3.31900        1.41720       -0.16830
C          1.97890       -0.89110       -2.87140
H          1.31980       -1.75420       -2.68170
H          2.21030       -0.83870       -3.94970
H          2.91570       -1.04650       -2.30920
C          2.32700        2.00800       -2.76500
H          3.29100        1.86660       -2.24680
H          2.49980        2.01850       -3.85560
H          1.89900        2.97050       -2.43950
H         -2.35710        1.10900       -3.65750
H         -0.06730        1.07350       -4.46050
39
Zn_pn08
Zn        -1.67410       -1.42170        1.26190
Cl        -3.19540        0.23850        1.51110
Cl        -1.86250       -3.68550        1.37830
P          0.22120       -0.91400       -0.39960
N          0.05790       -0.95270        2.72460
C          0.50350        0.82830       -0.91400
C          0.61930       -1.98150       -1.84520
C          1.54890       -1.31790        0.79230
C          1.30610       -1.35410        2.12060
C          0.04410        0.51350        3.01710
C         -0.20000       -1.73150        3.96560
C          1.79010        1.33540       -1.20890
C          1.94580        2.67090       -1.60510
C          0.82250        3.50950       -1.70880
C         -0.45560        3.01330       -1.41140
C         -0.62040        1.67640       -1.01420
C          1.10150       -1.47960       -3.07160
C          1.36820       -2.35910       -4.13220
C          1.15450       -3.73800       -3.97860
C          0.66380       -4.23870       -2.76200
C          0.38870       -3.36830       -1.69780
H          2.08050       -1.70130        2.82500
H          0.80400        0.77260        3.78220
H         -0.96100        0.79050        3.37370
H          0.25120        1.07340        2.09270
H          0.60520       -1.57140        4.71310
H         -0.27720       -2.80070        3.71300
H         -1.15890       -1.40260        4.39790
H          2.66960        0.68630       -1.12420
H          2.94540        3.05960       -1.83110
H          0.94790        4.55400       -2.01610
H         -1.33140        3.66800       -1.47860
H         -1.61690        1.29990       -0.75150
H          1.25680       -0.40410       -3.20520
H          1.74020       -1.96220       -5.08370
H          1.36460       -4.42140       -4.80920
H          0.48190       -5.31230       -2.64010
H         -0.02530       -3.76090       -0.75990
H          2.53600       -1.63140        0.43120
22
Zn_pn09
Zn         0.11460        0.67570        0.16300
Cl         0.67930        2.88350        0.07190
Cl        -0.21320       -0.89350        1.74580
P          1.31440        0.03490       -2.03950
N         -1.61090        0.44240       -1.23280
C         -0.05080        0.81190       -3.08020
C         -1.41390        0.51720       -2.50170
C         -2.94950        0.18730       -0.70670
H         -3.68700       -0.02420       -1.50530
H         -3.27670        1.07120       -0.13100
H         -2.89110       -0.66080       -0.00310
H          0.12410        1.90580       -3.02960
H          0.00040        0.51000       -4.14160
C          1.43340       -1.68610       -2.72530
H          0.50290       -2.23270       -2.49610
H          1.60750       -1.69750       -3.81590
H          2.26260       -2.21240       -2.22240
C          2.82780        0.89500       -2.66480
H          3.71850        0.42800       -2.21160
H          2.91690        0.84890       -3.76440
H          2.78550        1.94650       -2.33430
H         -2.25770        0.38000       -3.20670
36
Zn_pn10
Zn        -0.79890        2.32090       -0.27960
Cl        -0.63270        3.17000        1.80790
Cl        -2.05320        2.93750       -2.07100
P         -0.42210       -0.24110       -0.06030
N          1.24260        2.10940       -1.12800
C         -0.95750       -1.34590       -1.43480
C         -0.64190       -1.15940        1.51550
C          1.45730       -0.18180       -0.24960
C          1.93690        1.03560       -1.00380
C          1.79900        3.26540       -1.83030
C         -0.83400       -2.75160       -1.39080
C         -1.23550       -3.52770       -2.48710
C         -1.76200       -2.91050       -3.63530
C         -1.89650       -1.51450       -3.67860
C         -1.50440       -0.73020       -2.58190
C          0.18800       -2.23160        1.91500
C         -0.03460       -2.88240        3.13740
C         -1.08500       -2.47010        3.97390
C         -1.90750       -1.40010        3.58890
C         -1.68730       -0.74370        2.36820
H          2.95530        0.97960       -1.43830
H          2.80240        3.06490       -2.25310
H          1.09930        3.55530       -2.63320
H          1.86040        4.10990       -1.12120
H         -0.44570       -3.24400       -0.49170
H         -1.14450       -4.61890       -2.44140
H         -2.07840       -3.52030       -4.48900
H         -2.32150       -1.02610       -4.56250
H         -1.64240        0.35880       -2.61420
H          1.01790       -2.55840        1.27740
H          0.61640       -3.71090        3.43890
H         -1.25440       -2.97720        4.93030
H         -2.71700       -1.06310        4.24530
H         -2.31310        0.11020        2.08620
H          1.85170       -1.09590       -0.72980
H          1.88610       -0.14380        0.77210
43
Zn_pn11
Zn        -0.97160       -1.02310       -1.84770
Cl        -2.00950       -3.00780       -1.46960
Cl        -1.25650        0.66520       -3.32430
P         -0.42780        0.21230        0.34640
N          1.28260       -1.24950       -1.74240
C         -0.06240       -0.73850        1.88260
C         -1.19770        1.79780        0.86240
C          1.27460        0.72640       -0.27320
C          1.94160       -0.38320       -1.04330
C          1.98610       -2.21070       -2.53060
C          0.49700       -0.14170        3.03370
C          0.78120       -0.92160        4.16300
C          0.50960       -2.30150        4.15410
C         -0.05510       -2.89690        3.01620
C         -0.34590       -2.12120        1.88130
C         -2.60840        1.86090        0.84610
C         -3.26960        3.03400        1.23730
C         -2.53170        4.15950        1.63760
C         -1.12860        4.10910        1.64630
C         -0.46300        2.93480        1.26300
C          3.17370       -1.88510       -3.22090
C          3.82400       -2.86540       -3.98140
C          3.29750       -4.16510       -4.06070
C          2.10390       -4.47860       -3.39010
C          1.43760       -3.50540       -2.63480
H          3.04520       -0.43430       -1.00240
H          0.69170        0.93730        3.05580
H          1.21180       -0.45130        5.05440
H          0.73200       -2.90860        5.03890
H         -0.28010       -3.96920        3.00800
H         -0.80660       -2.58630        0.99980
H         -3.18890        0.99220        0.51420
H         -4.36410        3.07130        1.21630
H         -3.04900        5.07850        1.93440
H         -0.54790        4.98790        1.94860
H          0.63280        2.91560        1.26800
H          1.09920        1.58170       -0.95870
H          1.94090        1.07150        0.53680
H          3.55310       -0.85740       -3.20240
H          4.73520       -2.60630       -4.53190
H          3.80570       -4.92630       -4.66300
H          1.67840       -5.48530       -3.46390
H          0.49430       -3.73280       -2.12430
24
Zn_pn12
Zn        -2.36230        3.20440       -1.86140
Cl        -1.35890        5.20780       -1.40050
Cl        -3.54270        2.31350       -3.55640
P         -0.39750        1.82890       -0.78630
N         -3.24170        2.56370        0.04650
C         -0.95800        2.25840        0.96280
C         -2.45860        2.24250        1.02890
C         -4.63520        2.48260        0.53060
O         -3.03020        1.89000        2.20250
C         -4.48660        1.96990        1.99190
H         -5.21370        1.79980       -0.11420
H         -5.10250        3.48120        0.47460
H         -4.89390        0.95890        2.15560
H         -4.88830        2.65700        2.75280
H         -0.52790        1.60160        1.73820
H         -0.61640        3.29480        1.14960
C         -0.23060       -0.01920       -0.72090
H         -1.22680       -0.47230       -0.58190
H          0.16440       -0.37340       -1.68850
H          0.44230       -0.35680        0.08730
C          1.34560        2.44840       -0.80330
H          1.82400        2.13500       -1.74690
H          1.31230        3.55110       -0.78740
H          1.94390        2.07380        0.04540
38
Zn_pn13
Zn         0.59260        0.38770       -0.20310
Cl         1.45780       -0.22290        1.79460
Cl         1.46830        1.35310       -2.07240
P         -1.05580       -1.40170       -1.21740
N         -1.35210        1.33910        0.07960
C         -1.93530       -2.53200       -0.06540
C         -0.81330       -2.29900       -2.80770
C         -2.36750       -0.11380       -1.66470
C         -2.37310        0.98000       -0.63460
C         -1.75740        2.50010        0.90010
C         -3.22030       -3.06320       -0.32100
C         -3.82660       -3.92260        0.60660
C         -3.15780       -4.26020        1.79650
C         -1.88460       -3.73250        2.05870
C         -1.27220       -2.86930        1.13530
C         -0.08870       -1.62420       -3.81800
C          0.15740       -2.25710       -5.04520
C         -0.29090       -3.56950       -5.26960
C         -0.98430       -4.25110       -4.25750
C         -1.24640       -3.62220       -3.03030
O         -3.53060        1.65710       -0.46030
C         -3.27690        2.63920        0.60820
H         -1.17520        3.38530        0.58770
H         -1.53850        2.30310        1.96280
H         -3.74940       -2.81210       -1.24840
H         -4.82260       -4.33070        0.40020
H         -3.63370       -4.93230        2.51950
H         -1.36240       -3.98620        2.98770
H         -0.28560       -2.44130        1.35460
H          0.30260       -0.61420       -3.63520
H          0.71690       -1.72430       -5.82230
H         -0.08850       -4.06430       -6.22610
H         -1.32330       -5.28070       -4.41950
H         -1.77980       -4.16720       -2.24430
H         -3.57740        3.62620        0.22420
H         -3.91820        2.36260        1.46140
H         -2.07390        0.31650       -2.64080
H         -3.37920       -0.53910       -1.77370
31
Zn_pn14
Zn         0.40970        0.30550        0.47170
Cl         0.61260        2.47380        1.12820
Cl        -0.11130       -1.58230        1.60050
P          1.99920        0.25430       -1.49730
N         -1.08230        0.36810       -1.29410
C          1.34480        1.66400       -3.88420
C          0.48870        2.33470       -4.76730
C         -0.88490        2.38590       -4.49030
C         -1.39510        1.75390       -3.34790
C         -0.54330        1.07180       -2.45860
C          0.85380        1.03390       -2.72240
C         -2.26080        1.03070       -0.67200
C         -1.42800       -1.03830       -1.65430
H          2.42030        1.64470       -4.09610
H          0.89420        2.82340       -5.65990
H         -1.56610        2.91370       -5.16660
H         -2.47070        1.79270       -3.15110
H         -3.15940        0.99870       -1.32050
H         -2.49700        0.49210        0.26160
H         -2.00330        2.07240       -0.42600
H         -2.26730       -1.06670       -2.37890
H         -0.55240       -1.52980       -2.10740
H         -1.69550       -1.58460       -0.73510
C          2.69070       -1.23590       -2.36490
H          3.46280       -1.69360       -1.72260
H          1.89420       -1.98160       -2.52240
H          3.13810       -0.97470       -3.33990
C          3.43550        1.41630       -1.40030
H          4.19280        0.97620       -0.72850
H          3.90240        1.61710       -2.37990
H          3.08230        2.35870       -0.94990
45
Zn_pn15
Zn         1.04810       -1.16400        2.13710
Cl         2.53600       -2.70340        1.36370
Cl        -0.12220       -1.05790        4.07060
P         -0.05680       -0.15200        0.09420
N          2.18420        0.84630        1.95010
C          1.60290        1.21520       -1.76840
C          2.76130        1.89290       -2.17180
C          3.73760        2.21530       -1.21960
C          3.55150        1.86980        0.12660
C          2.38760        1.19930        0.54710
C          1.39550        0.86650       -0.41780
C         -1.44050        1.02740        0.37560
C         -1.56240        2.24700       -0.32610
C         -2.65380        3.09380       -0.07880
C         -3.62520        2.73320        0.87010
C         -3.50180        1.52790        1.57950
C         -2.41110        0.67800        1.34080
C         -0.50000       -1.11900       -1.40480
C          0.27140       -2.27080       -1.68330
C         -0.02030       -3.04690       -2.81390
C         -1.08360       -2.69340       -3.66140
C         -1.85850       -1.55770       -3.37800
C         -1.57100       -0.76870       -2.25310
C          3.44080        0.57180        2.69790
C          1.40150        1.90090        2.66100
H          0.85670        0.92030       -2.51490
H          2.90570        2.15240       -3.22640
H          4.65320        2.73640       -1.52120
H          4.32750        2.12550        0.85400
H         -0.80140        2.53550       -1.06030
H         -2.74320        4.03900       -0.62640
H         -4.47410        3.39870        1.06360
H         -4.24730        1.25220        2.33340
H         -2.29920       -0.24580        1.92080
H          1.09060       -2.55900       -1.01150
H          0.58060       -3.93840       -3.02560
H         -1.31160       -3.30670       -4.54060
H         -2.69400       -1.28380       -4.03250
H         -2.18430        0.11120       -2.03060
H          4.04820        1.48650        2.85140
H          3.16510        0.17610        3.69000
H          4.02620       -0.19130        2.16210
H          1.99400        2.83440        2.74980
H          0.47480        2.11500        2.10720
H          1.13200        1.52620        3.66190
35
Zn_pn16
Zn        -0.20270       -0.06090        0.11110
Cl         0.02230        1.88430        1.28700
Cl        -0.66430       -2.19320        0.69610
P          1.29850       -0.06700       -1.99850
N         -1.70750        0.69840       -1.34800
C          2.62470        1.19220       -2.23530
C          1.92310       -1.64780       -2.68860
C         -0.05830        0.45930       -3.19940
C         -1.06890        1.38810       -2.50120
H         -2.35080       -0.03890       -1.66750
H         -2.25960        1.36790       -0.79460
C          3.59400        1.10210       -3.25810
C          4.55480        2.11240       -3.40770
C          4.55650        3.21990       -2.54310
C          3.60200        3.30910       -1.51850
C          2.64290        2.29650       -1.35420
C          2.32660       -2.64600       -1.77520
C          2.82880       -3.86970       -2.24400
C          2.92240       -4.11170       -3.62320
C          2.50680       -3.13060       -4.53880
C          2.00890       -1.90340       -4.07600
H         -1.82050        1.74330       -3.23400
H         -0.55410        2.27800       -2.09690
H          3.61440        0.23110       -3.92220
H          5.30940        2.03070       -4.19860
H          5.30990        4.00690       -2.66270
H          3.60780        4.16170       -0.83040
H          1.91840        2.35950       -0.53140
H          2.21850       -2.47560       -0.69820
H          3.13310       -4.63960       -1.52670
H          3.30920       -5.07030       -3.98690
H          2.56780       -3.32160       -5.61620
H          1.68100       -1.14830       -4.80020
H          0.36730        0.96400       -4.08460
H         -0.56140       -0.46380       -3.54550
38
Zn_pn17
Zn        -0.10420       -0.06870        0.15760
Cl        -0.04350        2.03520        1.07200
Cl        -0.32770       -2.12730        1.06860
P          1.27910       -0.04060       -2.02130
N         -1.77820        0.32930       -1.28300
C          2.62340        1.19200       -2.27820
C          1.84650       -1.63080       -2.74400
C         -0.11800        0.50410       -3.17290
C         -1.26110        1.18060       -2.39090
H         -2.38770        0.92460       -0.70470
C          3.72710        0.96630       -3.12770
C          4.71190        1.95440       -3.27690
C          4.60570        3.17030       -2.58230
C          3.51650        3.39270       -1.72540
C          2.53100        2.40750       -1.56250
C          2.13130       -2.69650       -1.86310
C          2.56950       -3.93060       -2.36950
C          2.72210       -4.11300       -3.75230
C          2.42930       -3.06100       -4.63680
C          1.99200       -1.82550       -4.13730
H         -2.07850        1.44360       -3.09580
H         -0.90190        2.11470       -1.92330
H          3.82510        0.01660       -3.66430
H          5.56870        1.76890       -3.93490
H          5.37950        3.93770       -2.69790
H          3.43790        4.32950       -1.16260
H          1.70880        2.57000       -0.85300
H          1.97930       -2.57030       -0.78490
H          2.78160       -4.75330       -1.67800
H          3.06180       -5.07830       -4.14450
H          2.54220       -3.20250       -5.71780
H          1.76740       -1.01020       -4.83540
H          0.26200        1.20120       -3.93980
H         -0.48300       -0.39750       -3.69660
H         -2.96360       -1.36290       -0.84100
H         -1.87880       -1.57290       -2.22910
C         -2.54860       -0.85690       -1.72660
H         -3.37100       -0.58610       -2.41990
39
Zn_pn18
Zn         0.04370        0.02620        0.29380
Cl        -0.14070        2.15020        1.04690
Cl        -0.25700       -2.02370        1.20690
P          1.76710        0.02690       -1.62120
N         -1.21090       -0.15110       -1.61270
C          1.14340        1.69970       -3.87340
C          0.24810        2.38460       -4.70750
C         -1.13450        2.23420       -4.52110
C         -1.62170        1.38720       -3.51580
C         -0.72870        0.68960       -2.68720
C          0.67100        0.84990       -2.85360
C          2.15160       -1.61540       -2.35500
C          2.23980       -1.82140       -3.75040
C          2.54550       -3.09370       -4.25600
C          2.76110       -4.16800       -3.37640
C          2.66320       -3.97180       -1.98980
C          2.35500       -2.70250       -1.47630
C          3.31900        1.00500       -1.62500
C          3.32650        2.19710       -0.86470
C          4.48480        2.98580       -0.81920
C          5.64030        2.58720       -1.51200
C          5.63830        1.39610       -2.25540
C          4.48120        0.60340       -2.31510
H         -2.20580        0.02040       -1.42030
H         -1.10790       -1.15620       -1.81700
H          2.22310        1.84670       -3.98930
H          0.63000        3.04710       -5.49190
H         -1.84000        2.77730       -5.15930
H         -2.70240        1.26710       -3.37060
H          2.05880       -0.98840       -4.43940
H          2.61090       -3.24740       -5.33930
H          2.99500       -5.16210       -3.77420
H          2.81310       -4.81100       -1.30180
H          2.24190       -2.56170       -0.39520
H          2.43020        2.49900       -0.30700
H          4.48610        3.90920       -0.22950
H          6.54640        3.20200       -1.46550
H          6.54140        1.07850       -2.78900
H          4.48470       -0.33050       -2.88800
25
Zn_pn19
Zn        -0.27670        0.95080        0.61610
Cl         0.23670        3.09070       -0.01000
Cl        -1.06750        0.00120        2.50180
P          1.54100       -0.04690       -0.96020
N         -1.50090        0.02390       -0.99100
C         -3.52130       -1.09500       -1.68320
C         -2.96810       -1.31510       -2.95290
C         -1.67080       -0.85720       -3.22280
C         -0.95580       -0.17860       -2.22080
C         -2.74780       -0.42570       -0.72790
H         -4.52640       -1.44390       -1.42850
H         -3.53720       -1.84420       -3.72530
H         -1.20970       -1.01790       -4.20300
H         -3.10400       -0.25200        0.29420
C          0.44400        0.35500       -2.43600
H          0.86860       -0.01190       -3.38760
H          0.41480        1.46280       -2.46760
C          3.08880        0.89070       -1.34060
H          3.85580        0.64060       -0.58820
H          3.48200        0.66400       -2.34700
H          2.85920        1.96640       -1.25710
C          1.98810       -1.82850       -1.23630
H          2.67670       -2.15520       -0.43870
H          1.07670       -2.44670       -1.16860
H          2.46850       -1.99430       -2.21700
39
Zn_pn20
Zn        -0.29810       -0.10550        0.63460
Cl        -0.51960        1.86920        1.71820
Cl        -0.64170       -2.26750        1.25750
P          1.62790       -0.35520       -1.09090
N         -1.33420        0.22060       -1.30510
C         -3.09490        1.29840       -2.55190
C         -2.56170        0.79480       -3.74710
C         -1.40460        0.00590       -3.70000
C         -0.81140       -0.27580       -2.45730
C         -2.44290        0.99220       -1.35240
H         -3.99020        1.92710       -2.54420
H         -3.03660        1.02000       -4.70850
H         -0.95870       -0.39580       -4.61560
H         -2.78780        1.38440       -0.38900
C          0.43150       -1.12950       -2.33080
H          0.17210       -2.11400       -1.89340
H          0.89540       -1.30740       -3.31590
C          3.12060        3.55550       -3.12550
C          3.17070        2.35280       -3.85200
C          2.73590        1.15680       -3.26280
C          2.24860        1.15210       -1.93570
C          2.19550        2.36520       -1.21400
C          2.63180        3.56000       -1.80990
H          3.45740        4.48930       -3.58960
H          3.54980        2.34710       -4.88040
H          2.78550        0.22260       -3.83520
H          1.78640        2.37790       -0.19580
H          2.57960        4.49620       -1.24330
C          5.01610       -3.53690       -0.82370
C          5.29900       -2.28670       -1.39500
C          4.29500       -1.31030       -1.49850
C          2.99510       -1.58150       -1.02580
C          2.71940       -2.83260       -0.42510
C          3.72530       -3.80460       -0.33780
H          5.80200       -4.29630       -0.74550
H          6.30740       -2.06380       -1.76210
H          4.52660       -0.33590       -1.94130
H          1.72620       -3.03380       -0.00180
H          3.50000       -4.77030        0.12840
42
Zn_pn21
Zn         1.69130        2.91410       -2.84140
Cl         0.18350        3.77430       -1.35230
Cl         2.02930        3.35780       -5.04360
P          3.71710        2.52460       -1.41370
N          1.16920        0.72580       -2.79280
C          1.53000       -0.29110       -1.96650
C          2.75910       -0.17230       -1.07640
H          3.64840       -0.42600       -1.68990
C          3.02650        1.15570       -0.33020
H          2.09420        1.55800        0.10760
H          3.72700        0.96550        0.50320
H          2.68880       -0.97500       -0.31960
C          0.82110       -1.50940       -1.97720
H          1.12330       -2.31050       -1.29420
C         -0.25040       -1.69360       -2.85770
H         -0.80360       -2.63930       -2.86720
C         -0.59750       -0.64870       -3.72430
H         -1.42080       -0.74090       -4.43890
C          0.13550        0.53840       -3.65150
H         -0.09000        1.38430       -4.31220
C          4.97870        5.77640        1.66710
H          5.25650        6.54960        2.39250
C          5.97250        5.11630        0.92780
H          7.02840        5.37310        1.07130
C          5.62140        4.12680       -0.00390
H          6.40290        3.62250       -0.58230
C          4.26570        3.79120       -0.19950
C          3.26510        4.47290        0.53060
H          2.20470        4.25790        0.34630
C          3.62650        5.45390        1.46440
H          2.84350        5.97710        2.02450
C          7.45880        0.72930       -3.52230
H          8.33000        0.30850       -4.03680
C          7.29530        0.52860       -2.14040
H          8.03730       -0.04860       -1.57670
C          6.18170        1.06630       -1.47760
H          6.06830        0.91220       -0.39770
C          5.21710        1.81150       -2.19530
C          5.38390        2.00220       -3.58540
H          4.62980        2.56110       -4.15520
C          6.50420        1.46540       -4.24090
H          6.62340        1.62050       -5.31890
30
Zn_pn22
Zn        -0.34160        0.38490        0.34430
Cl        -0.11850        2.66450        0.57940
Cl        -0.93690       -1.28000        1.76490
P          1.68830        0.07290       -1.13880
N         -1.78880        0.26160       -1.35870
C         -1.40950        1.08470       -2.54980
C         -2.04420       -1.15410       -1.71900
C         -3.02990        0.83670       -0.76980
C          2.29110       -1.54090       -1.82880
C          3.22840        0.90020       -0.53490
C          1.22410        1.08560       -2.63540
C         -0.11790        0.69880       -3.30150
H         -2.25550        1.04870       -3.27290
H         -1.32220        2.12620       -2.19080
H         -2.85740       -1.23690       -2.47200
H         -2.32260       -1.70620       -0.80700
H         -1.13220       -1.61770       -2.12820
H         -3.86380        0.82070       -1.50350
H         -2.83420        1.87490       -0.45500
H         -3.31570        0.24360        0.11500
H          3.12850       -1.39910       -2.53580
H          1.46980       -2.06390       -2.34750
H          2.62560       -2.18560       -0.99830
H          3.97820        1.01540       -1.33800
H          3.66610        0.30730        0.28610
H          2.95320        1.89130       -0.13640
H         -0.16840        1.23840       -4.26680
H         -0.12560       -0.37360       -3.57470
H          1.17310        2.13110       -2.27690
H          2.04310        1.02890       -3.37890
44
Zn_pn23
Zn        -0.62990       -1.77020       -2.32870
Cl         0.39530       -3.79490       -2.45000
Cl        -1.47710       -0.38490       -3.95960
P          0.43430       -0.11690       -0.71990
N         -2.41740       -2.04720       -1.01970
C          1.10460       -0.77920        0.86030
C          1.65790        1.10640       -1.35330
C         -1.04340        0.93110       -0.25180
C         -3.04390       -0.75760       -0.58970
C         -3.37300       -2.75150       -1.91950
C         -2.10680       -2.92970        0.13120
C          1.72450       -2.04950        0.82330
C          2.26150       -2.60710        1.99430
C          2.17860       -1.91250        3.21170
C          1.55680       -0.65340        3.25840
C          1.02460       -0.08670        2.08980
C          2.74540        1.56850       -0.58330
C          3.63820        2.50760       -1.12160
C          3.45160        2.99630       -2.42440
C          2.37210        2.53590       -3.19540
C          1.48240        1.58630       -2.67130
C         -2.22990        0.14810        0.35690
H         -3.27770       -0.20330       -1.51710
H         -4.00960       -0.99760       -0.08990
H         -4.32590       -2.97130       -1.39270
H         -2.91960       -3.69920       -2.25530
H         -3.57530       -2.12120       -2.80120
H         -3.02240       -3.15750        0.71810
H         -1.36270       -2.45700        0.79110
H         -1.67080       -3.86650       -0.25180
H          1.76490       -2.60980       -0.12010
H          2.73600       -3.59390        1.95380
H          2.59150       -2.35390        4.12570
H          1.48590       -0.10890        4.20700
H          0.54790        0.89910        2.14030
H          2.90610        1.18460        0.42980
H          4.48610        2.85430       -0.51960
H          4.15080        3.72980       -2.84120
H          2.22610        2.90410       -4.21720
H          0.64960        1.21770       -3.28460
H         -0.72670        1.73570        0.43800
H         -1.35200        1.42020       -1.19510
H         -1.90070       -0.41100        1.25290
H         -2.95190        0.89900        0.73250
51
Zn_pn24
Zn         0.12050       -1.05400       -0.77060
Cl        -0.78610       -3.05870       -1.42000
Cl         0.21660        0.88800       -1.99200
P         -1.14650       -0.49260        1.39150
N          1.90460       -1.60970        0.38920
C         -2.98240       -0.37970        1.33520
C         -0.55990        0.99880        2.30080
C         -0.80480       -1.94450        2.53690
C          1.72010       -1.98710        1.82900
C          3.14090       -1.89330        0.06770
C         -3.66250       -1.34980        0.56410
C         -5.06110       -1.31720        0.47470
C         -5.79090       -0.31500        1.13540
C         -5.11600        0.66020        1.88590
C         -3.71600        0.63210        1.98640
C         -0.67800        1.14740        3.70160
C         -0.20750        2.30760        4.33400
C          0.38350        3.33250        3.57600
C          0.49720        3.19650        2.18420
C          0.02950        2.03730        1.54520
C          2.99050       -2.81720        2.12050
O          3.89940       -2.48200        1.03620
C          0.42240       -2.78090        2.11090
C          3.83910       -1.67520       -1.20970
C          5.02160       -2.40680       -1.47220
C          5.69780       -2.23350       -2.68420
C          5.20740       -1.32960       -3.64130
C          4.04080       -0.59390       -3.37900
C          3.35800       -0.75770       -2.16770
H          1.72490       -1.04740        2.41860
H         -3.09600       -2.11510        0.01690
H         -5.57980       -2.07180       -0.12720
H         -6.88340       -0.28770        1.05600
H         -5.67880        1.45210        2.39350
H         -3.19570        1.39980        2.56950
H         -1.14900        0.36310        4.30580
H         -0.30420        2.41200        5.42080
H          0.75460        4.23650        4.07250
H          0.95520        3.99280        1.58680
H          0.12340        1.93440        0.45590
H          3.48920       -2.56800        3.06960
H          2.79800       -3.90640        2.07520
H         -0.68900       -1.57750        3.57290
H         -1.70460       -2.58400        2.51870
H          0.63090       -3.50500        2.92380
H          0.17850       -3.37440        1.20970
H          5.39580       -3.11340       -0.72590
H          6.60830       -2.80900       -2.88480
H          5.73660       -1.19820       -4.59230
H          3.65490        0.11680       -4.11750
H          2.45840       -0.16120       -1.97690
49
Zn_pn25
Zn         1.69360       -4.39010       -1.16490
Cl         0.37020       -5.49660       -2.65630
Cl         3.79430       -4.83820       -0.40190
P          0.34960       -3.33890        0.72620
N          1.81800       -2.37870       -2.03770
C          1.71830        0.53940        0.01270
C          2.10330        0.94200        1.30780
H          2.46890        1.96610        1.45450
C          2.01400        0.06970        2.39470
H          2.32630        0.39300        3.39400
C          1.48290       -1.21460        2.20560
H          1.37280       -1.89020        3.05960
C          1.08240       -1.64220        0.92610
C          1.24820       -0.78100       -0.20350
C          1.74470        1.56220       -1.11390
H          2.73500        1.56360       -1.61640
H          1.61730        2.57350       -0.68540
C          0.89520       -1.26060       -1.62080
H         -0.11420       -1.71330       -1.58920
H          2.79450       -2.05360       -1.97030
H          1.64640       -2.57800       -3.03640
C          0.90740       -0.14950       -2.70800
H          0.17870       -0.41460       -3.49660
H          1.90570       -0.14740       -3.19180
C          0.65630        1.25640       -2.15380
H          0.67670        1.99730       -2.97360
H         -0.34350        1.31930       -1.68220
C         -4.20970       -2.72090       -0.00980
H         -5.28530       -2.59820       -0.17990
C         -3.50230       -1.76310        0.73710
H         -4.02500       -0.89290        1.15100
C         -2.12480       -1.91690        0.95800
H         -1.57510       -1.16590        1.53710
C         -1.44380       -3.03620        0.42890
C         -2.15580       -3.98940       -0.33320
H         -1.62640       -4.83850       -0.78280
C         -3.53440       -3.82940       -0.54530
H         -4.07740       -4.57290       -1.13920
C          0.70180       -5.44260        4.86320
H          0.79770       -5.95470        5.82760
C          1.76540       -5.46430        3.94650
H          2.69280       -5.99500        4.18890
C          1.64370       -4.82100        2.70580
H          2.47040       -4.86030        1.98380
C          0.44980       -4.13620        2.38210
C         -0.61850       -4.12020        3.30400
H         -1.55340       -3.60740        3.05310
C         -0.48940       -4.77330        4.53920
H         -1.32530       -4.76190        5.24810
58
Zn_pn26
Zn        -0.37280        0.79720       -1.36950
Cl        -0.92380        1.98160       -3.24360
Cl         0.33970        1.56490        0.63910
P          1.14010       -1.22190       -1.90560
N         -1.91940       -0.81440       -1.33520
C         -2.99390       -0.48650       -2.12510
H         -3.04650        0.56540       -2.42440
C         -3.92510       -1.41200       -2.54770
H         -4.77540       -1.09740       -3.16230
C         -3.74560       -2.78200       -2.21890
C         -2.61360       -3.13930       -1.40160
C         -1.74340       -2.08740       -0.93750
C         -2.38440       -4.51990       -1.11810
H         -1.51590       -4.80620       -0.51900
C         -3.24730       -5.49080       -1.60180
H         -3.05550       -6.54690       -1.38190
C         -4.37890       -5.13080       -2.38390
H         -5.05360       -5.91140       -2.75320
C         -4.62280       -3.80220       -2.68920
H         -5.48230       -3.51520       -3.30590
C          1.51230       -3.22920        1.69280
H          2.33280       -3.56590        2.33820
C          1.78620       -2.65090        0.46620
H          2.82440       -2.51300        0.14880
C          0.73710       -2.22390       -0.39760
C         -0.60480       -2.40250       -0.00820
C         -0.90770       -2.93900        1.29650
C          0.17440       -3.36650        2.15330
C         -0.11970       -3.89990        3.44340
H          0.71490       -4.22370        4.07660
C         -1.42560       -3.98880        3.89610
H         -1.63930       -4.39360        4.89150
C         -2.49100       -3.53610        3.07220
H         -3.52100       -3.58090        3.44360
C         -2.24120       -3.02800        1.80690
H         -3.07550       -2.66970        1.19700
C          0.28750       -3.80370       -5.68230
H          0.09500       -4.39480       -6.58480
C          0.17400       -2.40430       -5.71990
H         -0.11320       -1.89980       -6.64930
C          0.41530       -1.64330       -4.56510
H          0.30180       -0.55190       -4.58870
C          0.78590       -2.28530       -3.36290
C          0.88470       -3.69330       -3.32510
H          1.15710       -4.19650       -2.39000
C          0.63780       -4.44680       -4.48310
H          0.71870       -5.53950       -4.44830
C          5.72880       -0.47950       -1.75580
H          6.80560       -0.27870       -1.71650
C          5.23640       -1.51040       -2.57230
H          5.92700       -2.11580       -3.17060
C          3.85800       -1.76860       -2.62920
H          3.47760       -2.56980       -3.27240
C          2.96330       -0.98940       -1.86610
C          3.46100        0.05520       -1.05340
H          2.76800        0.66990       -0.46340
C          4.84060        0.29980       -0.99670
H          5.21880        1.11050       -0.36410
47
Zn_pn27
Zn        -1.46770       -1.94330        0.20060
Cl        -2.59440       -0.78850        1.80900
Cl        -0.98130       -4.19950       -0.07280
P          0.93170       -1.05740       -0.13440
N         -2.60480       -1.59450       -1.70690
C          1.47040       -1.69770       -1.81720
C          1.20330        0.76160       -0.14620
C         -3.57650       -2.71980       -1.79280
C         -1.64510       -1.69470       -2.85310
C          0.86360       -0.95000       -3.03060
C         -0.61960       -0.53580       -2.91090
C         -3.36830       -0.32090       -1.71890
C          2.19850       -1.74580        1.02070
C          3.14880       -0.92380        1.66320
C          4.08490       -1.48450        2.54630
C          4.08280       -2.86490        2.79800
C          3.13300       -3.68540        2.16780
C          2.18960       -3.13400        1.28780
C          0.28040        1.57140        0.55360
C          0.44280        2.96620        0.57610
C          1.51760        3.56510       -0.10030
C          2.44040        2.76550       -0.79640
C          2.28790        1.37040       -0.81750
H          1.15550       -2.75860       -1.79770
H          2.57350       -1.69550       -1.88380
H         -4.16580       -2.65570       -2.73190
H         -4.26580       -2.66770       -0.93360
H         -3.03460       -3.67770       -1.75260
H         -1.13940       -2.67080       -2.73610
H         -2.22580       -1.74130       -3.80050
H          1.01120       -1.57780       -3.93160
H          1.44580       -0.02590       -3.20240
H         -0.86200        0.12840       -3.76060
H         -0.72220        0.09960       -2.01100
H         -3.98320       -0.23810       -2.64040
H         -4.02140       -0.29380       -0.83230
H         -2.68890        0.54290       -1.66210
H          3.15640        0.15570        1.48040
H          4.81440       -0.83460        3.04310
H          4.81110       -3.29900        3.49230
H          3.11250       -4.76200        2.37070
H          1.42670       -3.77710        0.83210
H         -0.56410        1.10690        1.08090
H         -0.27730        3.58430        1.12390
H          1.63860        4.65410       -0.08520
H          3.28330        3.22850       -1.32210
H          3.02260        0.75360       -1.34860
45
Zn_pn28
Zn        -0.84680       -1.30390        1.41110
Cl         0.46970       -0.36180        3.03590
Cl        -1.34280       -3.53960        1.26420
P          0.05990       -0.52740       -0.92300
N         -2.84180       -0.24870        1.57150
C         -1.41410       -0.32430       -2.10800
C          0.89610        1.10820       -1.03100
C         -3.74190       -1.17740        2.30670
C         -3.41890        0.07730        0.21980
C         -2.54680       -1.25350       -1.75620
C         -3.41800       -1.08830       -0.73670
C         -2.69840        1.00960        2.35030
C          1.18280       -1.72620       -1.76470
C          2.22960       -1.30790       -2.61450
C          3.04540       -2.25850       -3.24560
C          2.82810       -3.62990       -3.03490
C          1.79330       -4.04980       -2.18400
C          0.97350       -3.10670       -1.54410
C          0.86820        1.89820       -2.20350
C          1.50310        3.14900       -2.23030
C          2.17160        3.62300       -1.08940
C          2.20200        2.84430        0.07790
C          1.56590        1.59290        0.11430
H         -1.07350       -0.48460       -3.14520
H         -1.71060        0.73630       -2.01230
H         -4.75690       -0.73850        2.41300
H         -3.32310       -1.36210        3.30960
H         -3.79490       -2.14210        1.78010
H         -4.45490        0.45840        0.36600
H         -2.82090        0.91420       -0.18200
H         -2.63050       -2.16560       -2.36040
H         -4.18130       -1.86000       -0.58070
H         -3.68410        1.49970        2.49830
H         -2.24370        0.78140        3.32660
H         -2.02520        1.70100        1.81700
H          2.41690       -0.24050       -2.77340
H          3.86090       -1.92350       -3.89700
H          3.47330       -4.36880       -3.52290
H          1.62900       -5.11730       -1.99930
H          0.19250       -3.44470       -0.85030
H          0.35510        1.53860       -3.10310
H          1.47420        3.75380       -3.14390
H          2.66400        4.60190       -1.11120
H          2.71460        3.21270        0.97350
H          1.57140        1.00080        1.03880
51
Zn_pn29
Zn         1.28450        1.63790       -1.23230
Cl         0.81000        2.65430       -3.23090
Cl         3.38850        1.63890       -0.32020
P          0.37060       -0.77940       -1.21730
N         -0.06760        2.62850        0.28430
C         -0.31530       -1.14810        0.50800
C         -1.05430       -1.14530       -2.32170
C          0.79830        3.70550        0.83800
C         -0.61080        1.76510        1.39550
C          0.51490       -0.54480        1.62090
C          0.37960        0.80990        2.03790
C         -1.21540        3.25350       -0.42690
C          1.59940       -2.12550       -1.50720
C          2.93590       -1.91670       -1.09820
C          3.88470       -2.93920       -1.26460
C          3.51710       -4.16480       -1.84260
C          2.19080       -4.36880       -2.25870
C          1.23390       -3.35650       -2.09390
C         -2.07740       -2.05770       -1.97630
C         -3.14650       -2.28850       -2.85520
C         -3.20590       -1.61240       -4.08500
C         -2.19670       -0.70090       -4.43210
C         -1.12720       -0.45970       -3.55530
C          1.15550        1.26390        3.12340
C          2.09050        0.43650        3.75850
C          2.24680       -0.88690        3.32510
C          1.45360       -1.36870        2.27570
H         -0.37820       -2.24330        0.63380
H         -1.34930       -0.75790        0.50040
H          0.23600        4.32240        1.57140
H          1.13720        4.35140        0.01100
H          1.68710        3.26230        1.31140
H         -1.03360        2.43950        2.17200
H         -1.46150        1.21040        0.96470
H         -1.82290        3.87260        0.26690
H         -0.83470        3.87750       -1.25030
H         -1.85340        2.46670       -0.86330
H          3.24240       -0.94780       -0.68280
H          4.92100       -2.76400       -0.95440
H          4.26320       -4.95610       -1.97730
H          1.89940       -5.31590       -2.72770
H          0.20690       -3.51850       -2.43930
H         -2.04250       -2.59700       -1.02270
H         -3.93450       -2.99790       -2.57770
H         -4.04240       -1.79420       -4.76940
H         -2.24290       -0.16290       -5.38550
H         -0.35900        0.27810       -3.81990
H          1.01730        2.29200        3.47950
H          2.69030        0.82450        4.58900
H          2.97270       -1.54870        3.81030
H          1.55940       -2.41050        1.95000
67
Zn_pn30
Zn        -0.37740        1.97730       -2.28670
Cl         1.07720        3.73560       -2.16490
Cl        -1.78620        1.55580       -4.04580
P          0.72500       -0.13470       -1.35510
N         -1.92950        2.28420       -0.62620
C          1.19160        0.73480        4.96420
C          0.89300        1.95050        4.37350
C          0.20370        2.00860        3.12710
C         -0.19470        0.79580        2.45920
C          0.14530       -0.43990        3.09690
C          0.81300       -0.46750        4.31230
C         -0.11180        3.24860        2.51660
C         -0.80140        3.29650        1.32420
C         -1.22970        2.11300        0.64320
C         -0.91070        0.84790        1.19710
C         -1.28510       -0.49670        0.61690
C         -2.35340       -1.24430        1.24490
C         -3.14900       -0.69230        2.29660
C         -4.17250       -1.42310        2.88080
C         -4.45610       -2.74590        2.44760
C         -3.71160       -3.31170        1.42570
C         -2.65550       -2.58480        0.80080
C         -1.88920       -3.14850       -0.25670
C         -0.87860       -2.42330       -0.85920
C         -0.56130       -1.09840       -0.43010
C         -2.31530        3.68970       -0.95530
C         -3.15260        1.44640       -0.79710
C          1.26980       -1.25130       -2.72380
C          2.18230       -0.00000       -0.24520
C          2.43710       -2.04000       -2.64240
C          2.80360       -2.86930       -3.71380
C          2.01280       -2.92220       -4.87320
C          0.85370       -2.13420       -4.96110
C          0.48360       -1.29610       -3.89830
C          2.99880        1.14730       -0.33710
C          4.16230        1.24010        0.44350
C          4.51800        0.19960        1.31640
C          3.70080       -0.93900        1.41730
C          2.53620       -1.04120        0.64150
H          1.71790        0.69750        5.92470
H          1.18000        2.89380        4.85440
H         -0.12940       -1.38360        2.61990
H          1.05170       -1.43310        4.77330
H          0.19280        4.18100        3.00680
H         -1.02140        4.27550        0.90040
H         -2.93950        0.32460        2.64060
H         -4.76740       -0.97690        3.68590
H         -5.26510       -3.31390        2.92070
H         -3.92380       -4.32940        1.07650
H         -2.11320       -4.16840       -0.59230
H         -0.30690       -2.86780       -1.67890
H         -3.00640        4.10920       -0.19740
H         -1.42420        4.32790       -1.05810
H         -2.82180        3.66380       -1.93280
H         -3.92390        1.73820       -0.05700
H         -3.52830        1.60140       -1.81980
H         -2.92230        0.38300       -0.68050
H          3.06570       -1.99980       -1.74660
H          3.71520       -3.47360       -3.64110
H          2.30370       -3.56900       -5.70850
H          0.23670       -2.15570       -5.86640
H         -0.41010       -0.66620       -3.99270
H          2.71400        1.97310       -1.00120
H          4.78820        2.13640        0.36990
H          5.42570        0.27830        1.92550
H          3.96720       -1.74940        2.10540
H          1.89830       -1.92850        0.72750
19
Zn_po_ch01
Zn        -0.29270       -0.46180       -0.05170
Cl        -0.30410        0.99080        1.75640
Cl         0.04180       -2.75640        0.30870
P          1.80940       -0.10770       -1.68120
O         -1.32000        0.00940       -1.66080
C          0.64210       -0.26790       -3.13020
C         -0.69130        0.47670       -2.79360
H          1.10480        0.09060       -4.07510
H          0.41740       -1.34660       -3.23470
H         -1.34770        0.35880       -3.69640
H         -0.45170        1.57960       -2.75730
C          2.73120        1.46280       -2.10070
H          3.47250        1.68380       -1.31310
H          3.24470        1.41080       -3.07970
H          2.00400        2.29290       -2.12190
C          3.07930       -1.43050       -2.00370
H          3.92500       -1.30960       -1.30380
H          2.60090       -2.40190       -1.79100
H          3.46350       -1.42020       -3.04100
20
Zn_po01
Zn        -0.13090       -0.52590       -0.09680
Cl        -0.26640        1.64160        0.55570
Cl        -0.46510       -2.58770        0.68060
P          1.48470       -0.19910       -2.13660
O         -1.12920       -0.22090       -2.14640
C         -0.10010        0.51590       -2.84580
H         -0.14720        1.59160       -2.58360
H         -0.21880        0.38910       -3.94010
C         -2.43300        0.39370       -2.24880
H         -3.13000       -0.27680       -1.72420
H         -2.42640        1.38860       -1.76660
H         -2.72800        0.47930       -3.31110
C          1.95850       -1.53060       -3.33770
H          2.88110       -2.02460       -2.98870
H          1.15770       -2.28870       -3.35770
H          2.12170       -1.13850       -4.35690
C          2.72650        1.14990       -2.39430
H          3.71640        0.78980       -2.06690
H          2.79240        1.46790       -3.44920
H          2.44780        2.00930       -1.76180
34
Zn_po02
Zn         3.18840        2.57310       -0.35750
Cl         3.30850        4.56830        0.64990
Cl         4.58720        0.97350       -1.15690
P          0.94150        1.30150       -0.04870
O          1.78060        2.58830       -2.16190
C          0.98350        1.40710       -1.92920
C         -0.59000        2.17530        0.44820
C         -0.45870        3.27690        1.32110
C         -1.59530        4.00320        1.71110
C         -2.86290        3.63760        1.23360
C         -2.99950        2.54650        0.35770
C         -1.86910        1.81790       -0.03730
C          0.72750       -0.48970        0.30310
C          1.75450       -1.36870       -0.11380
C          1.66390       -2.73760        0.17440
C          0.56550       -3.24040        0.89130
C         -0.44300       -2.36730        1.32670
C         -0.36540       -0.99570        1.03710
H          1.49210        0.50450       -2.32200
H         -0.01070        1.51820       -2.40210
H          0.53460        3.58010        1.67300
H         -1.48520        4.85920        2.38580
H         -3.74900        4.20590        1.53860
H         -3.98890        2.26510       -0.02020
H         -1.98220        0.96530       -0.71740
H          2.63920       -0.97790       -0.63330
H          2.46480       -3.41050       -0.15160
H          0.50290       -4.31010        1.12040
H         -1.29530       -2.75120        1.89860
H         -1.15240       -0.32110        1.38900
C          2.27720        2.68490       -3.51410
H          2.83280        3.63300       -3.56990
H          2.95260        1.83860       -3.73780
H          1.43170        2.70710       -4.22620
23
Zn_po03
Zn         0.02410       -0.66810        0.09460
Cl        -0.27190        0.97960        1.60960
Cl        -0.16510       -2.91430        0.05940
P          1.75060       -0.11780       -1.69400
O         -1.33700        0.08720       -1.58640
C          0.53990        0.15230       -3.09790
C         -0.71290        0.88760       -2.60740
H          1.00650        0.71120       -3.93010
H          0.24720       -0.84420       -3.47570
H         -1.43060        1.02330       -3.44190
H         -0.46810        1.89250       -2.20220
C         -2.57520        0.65980       -1.11360
H         -2.99490       -0.05650       -0.39260
H         -2.39520        1.62610       -0.60860
H         -3.27350        0.78740       -1.96230
C          2.77940        1.42060       -1.68780
H          3.55830        1.33440       -0.91150
H          3.26120        1.60100       -2.66530
H          2.14590        2.28490       -1.42570
C          2.87230       -1.44400       -2.32110
H          3.70710       -1.57430       -1.61170
H          2.30870       -2.39150       -2.35490
H          3.28060       -1.21310       -3.32050
37
Zn_po04
Zn         1.42680       -2.92430       -0.41600
Cl         0.28920       -4.55630        0.63480
Cl         2.73810       -2.93780       -2.28410
P          0.48600       -0.57610       -0.09010
O          2.97100       -2.02310        0.95820
C          1.99070        0.17380        0.77760
C          3.25070       -0.66570        0.53930
C          0.16340        0.51090       -1.54240
C         -0.82620        1.51650       -1.54720
C         -1.00650        2.32020       -2.68360
C         -0.20400        2.13130       -3.82040
C          0.77370        1.12350       -3.82370
C          0.95450        0.30720       -2.69670
C         -0.88420       -0.34040        1.10480
C         -1.05680        0.85790        1.83580
C         -2.11820        0.98450        2.74380
C         -3.01540       -0.08100        2.93180
C         -2.84380       -1.27610        2.21650
C         -1.78200       -1.41110        1.30710
H          2.16290        1.20980        0.43720
H          1.76120        0.19190        1.85770
H          4.08840       -0.27380        1.15030
H          3.56040       -0.66680       -0.52510
H         -1.46730        1.66250       -0.67130
H         -1.78260        3.09410       -2.67980
H         -0.34960        2.75970       -4.70610
H          1.39130        0.95520       -4.71310
H          1.69450       -0.50340       -2.72470
H         -0.35810        1.69250        1.70190
H         -2.24300        1.91580        3.30790
H         -3.84220        0.01920        3.64380
H         -3.52960       -2.11600        2.37230
H         -1.62870       -2.36160        0.78260
C          4.16100       -2.84390        1.01650
H          3.83220       -3.83480        1.36480
H          4.62590       -2.93040        0.01760
H          4.87480       -2.41130        1.74220
18
Zn_po05
Zn        -0.21850        1.39090       -0.55210
Cl        -0.49120        3.58250       -0.26370
Cl        -0.18220       -0.55020        0.64390
P          1.65530        0.53370       -2.15780
O         -1.39020        0.67150       -2.37050
C          0.49460       -0.76670       -2.87290
C         -0.87930       -0.18990       -3.09530
H          0.38420       -1.51000       -2.05180
H          0.87180       -1.28780       -3.77070
H         -1.47300       -0.58210       -3.95310
C          2.34300        1.37020       -3.66440
H          3.10360        2.10210       -3.34310
H          2.80590        0.65690       -4.36900
H          1.54060        1.92610       -4.17830
C          3.05260       -0.49520       -1.51790
H          3.85460        0.17520       -1.16500
H          2.68390       -1.07680       -0.65640
H          3.46200       -1.17410       -2.28600
32
Zn_po06
Zn         1.45580       -2.64150       -0.87900
Cl         1.51030       -2.83830       -3.11240
Cl         1.22830       -3.89080        0.98670
P          0.32170       -0.45150       -0.06570
O          3.21670       -1.34380       -0.24880
C          1.68850       -0.11840        1.18870
C          3.03350       -0.45740        0.59110
C          0.32250        1.05350       -1.12590
C          0.80920        0.92450       -2.44510
C          0.85420        2.04970       -3.28480
C          0.40450        3.29510       -2.82100
C         -0.09760        3.42160       -1.51340
C         -0.14110        2.30600       -0.66680
C         -1.21580       -0.38810        0.93170
C         -2.35030       -1.02880        0.38660
C         -3.57370       -1.00330        1.07000
C         -3.67460       -0.34960        2.30880
C         -2.54950        0.28080        2.86240
C         -1.32450        0.26590        2.17760
H          1.51580       -0.84720        2.01090
H          1.69490        0.89920        1.61600
H          3.91390        0.12360        0.95070
H          1.14290       -0.05360       -2.81620
H          1.23440        1.94540       -4.30690
H          0.43700        4.17010       -3.48020
H         -0.45920        4.39210       -1.15470
H         -0.55210        2.40400        0.34500
H         -2.27240       -1.55600       -0.57160
H         -4.44610       -1.50670        0.63940
H         -4.62900       -0.33780        2.84670
H         -2.62230        0.78590        3.83210
H         -0.45580        0.76010        2.62660
35
Zn_po07
Zn         1.29320        2.13870       -1.30430
Cl         2.95010        1.85410       -2.80110
Cl         0.71850        3.81430        0.10050
P         -0.05550        0.08030       -0.69020
O         -0.67490        2.34200       -2.62420
C         -1.68160        0.67090       -1.25240
C          0.22690       -1.52220       -1.54500
C         -0.89080        3.65850       -3.20400
C         -1.77700        1.72270       -2.09720
C         -0.29450       -0.29490        1.09230
C          0.23480       -1.46340        1.67930
C          0.11750       -1.66930        3.06290
C         -0.52060       -0.71400        3.86960
C         -1.03830        0.45570        3.28910
C         -0.92330        0.67110        1.90820
C          1.32490       -1.63020       -2.42460
C          1.54010       -2.82670       -3.12880
C          0.66820       -3.91260       -2.95930
C         -0.42680       -3.80790       -2.08340
C         -0.65070       -2.61750       -1.37870
H         -2.60580        0.18700       -0.91830
H         -1.77030        3.62880       -3.87070
H         -1.01960        4.40110       -2.39990
H          0.01550        3.87760       -3.78580
H         -2.73860        2.12800       -2.44220
H          0.73450       -2.21410        1.05760
H          0.53010       -2.58100        3.50960
H         -0.60720       -0.87610        4.94960
H         -1.52640        1.21180        3.91390
H         -1.30370        1.59850        1.46540
H          2.00380       -0.77930       -2.56560
H          2.39370       -2.90530       -3.81100
H          0.83910       -4.84440       -3.51050
H         -1.10900       -4.65540       -1.95120
H         -1.50140       -2.54170       -0.69160
27
Zn_po08
Zn         0.20190       -0.27170        0.30940
Cl         0.18630        1.63800        1.49950
Cl        -0.49370       -2.37880        0.69400
P          1.73510       -0.00070       -1.68980
O         -1.19990        0.14470       -1.53700
C          1.11170        1.55590       -4.00890
C          0.24110        2.22580       -4.88100
C         -1.13580        2.21400       -4.61840
C         -1.64870        1.53690       -3.50120
C         -0.77020        0.85800       -2.63920
C          0.63060        0.86570       -2.88050
H          2.18900        1.57340       -4.21030
H          0.63620        2.75530       -5.75400
H         -1.82770        2.73970       -5.28560
H         -2.72410        1.54660       -3.30700
C         -2.61910        0.03570       -1.27960
H         -2.69880       -0.66770       -0.43810
H         -3.03990        1.01910       -1.00720
H         -3.13400       -0.37860       -2.16350
C          2.30500       -1.51790       -2.58720
H          3.05060       -2.04490       -1.96730
H          1.44420       -2.19080       -2.73320
H          2.74890       -1.27180       -3.56730
C          3.24050        1.06480       -1.56740
H          3.96430        0.57290       -0.89530
H          3.72520        1.23700       -2.54390
H          2.95590        2.03140       -1.12020
41
Zn_po09
Zn         1.47680       -0.43540        3.15480
Cl         0.35740        0.05590        5.04350
Cl         3.30100       -1.69820        2.71400
P          0.35340        0.09440        0.97090
O          2.26720        1.69890        2.47670
C          1.87210        1.28260       -1.14710
C          2.90570        2.08650       -1.65110
C          3.74440        2.77040       -0.76040
C          3.56480        2.65810        0.62790
C          2.52180        1.86100        1.12500
C          1.65570        1.16800        0.23830
C         -1.16510        1.12260        1.05650
C         -1.47620        2.09570        0.08140
C         -2.66430        2.83450        0.18130
C         -3.54650        2.61150        1.25290
C         -3.23420        1.65410        2.23070
C         -2.04680        0.91150        2.13840
C          0.05970       -1.21830       -0.27830
C          1.00360       -2.26880       -0.34710
C          0.82870       -3.30150       -1.27870
C         -0.28700       -3.30360       -2.13300
C         -1.23130       -2.26780       -2.05600
C         -1.06190       -1.22400       -1.13220
H          1.23020        0.71850       -1.83320
H          3.06120        2.16640       -2.73220
H          4.56140        3.39320       -1.14150
H          4.24060        3.18400        1.30720
H         -0.78210        2.28420       -0.74550
H         -2.89890        3.59090       -0.57630
H         -4.47140        3.19380        1.33070
H         -3.90840        1.48950        3.07820
H         -1.79090        0.19000        2.92310
H          1.86700       -2.27910        0.33090
H          1.56370       -4.11250       -1.32900
H         -0.42340       -4.11680       -2.85480
H         -2.10720       -2.27070       -2.71480
H         -1.80450       -0.42110       -1.07000
C          3.13090        2.35890        3.42970
H          2.71270        2.10370        4.41440
H          4.16520        1.98300        3.34160
H          3.09770        3.45180        3.27880
25
Zn_po10
Zn         2.54380       -0.81840       -0.39280
Cl         1.27600       -2.65010       -1.05630
Cl         4.70880       -0.51840        0.07990
P         -0.00040        0.80860       -1.30560
O          1.54530        0.78040       -1.34610
P          0.74290       -0.25520        1.46480
C         -0.60960        2.53560       -1.32670
C         -0.66320        0.02250        0.24370
C         -0.77700       -0.05560       -2.71400
C          0.72030        1.29100        2.49330
C          0.02680       -1.54880        2.58110
H         -0.21350        3.07930       -0.45310
H         -0.24670        3.03430       -2.24100
H         -1.71280        2.56810       -1.30840
H         -1.49910        0.60740        0.66880
H         -1.02470       -0.98420       -0.03240
H         -0.45110        0.41140       -3.65850
H         -1.87850       -0.02190       -2.64600
H         -0.42870       -1.10350       -2.68750
H          1.06170        2.14250        1.88030
H         -0.27760        1.51300        2.91220
H          1.43880        1.17420        3.32260
H         -0.06970       -2.48160        2.00020
H         -0.95420       -1.26380        2.99970
H          0.73320       -1.73230        3.40880
26
Zn_po11
Zn         0.09140        0.46110        0.35710
Cl         0.31760        2.73670        0.46310
Cl        -0.60900       -1.11500        1.80690
P          1.96200       -0.03870       -1.24650
O         -1.30630        0.29430       -1.38640
C         -1.06960        1.17560       -2.51900
C         -2.65460        0.43100       -0.87300
C          2.28700       -1.74410       -1.89340
C          3.63060        0.60140       -0.77000
C          1.53460        0.97410       -2.75330
C          0.13240        0.70290       -3.34510
H         -1.97550        1.14390       -3.15570
H         -0.93050        2.21030       -2.14780
H         -3.38060        0.14060       -1.65550
H         -2.84780        1.47020       -0.54610
H         -2.72850       -0.25420       -0.01440
H          3.06430       -1.74600       -2.67830
H          1.35540       -2.17020       -2.30210
H          2.61220       -2.38900       -1.05960
H          4.33770        0.58220       -1.61820
H          4.03710       -0.01070        0.05300
H          3.51680        1.63650       -0.40610
H          0.07130        1.23780       -4.31280
H          0.00060       -0.37010       -3.58220
H          1.60530        2.03000       -2.43020
H          2.30910        0.80890       -3.52690
40
Zn_po12
Zn         0.07000        1.87250        2.44760
Cl        -1.41780        0.91870        3.88020
Cl         1.73910        3.37440        2.73300
P          0.40450        0.18170        0.61160
O         -1.37700        2.89680        1.07800
C         -1.32970       -0.15930        0.01460
C         -2.08710        1.10450       -0.45590
C         -2.51010        2.10880        0.62260
C          1.33360        0.70640       -0.89000
C          1.48120       -0.14400       -2.00850
C          2.18390        0.29530       -3.13890
C          2.74830        1.58370       -3.16180
C          2.61280        2.42790       -2.04930
C          1.90850        1.99480       -0.91300
C          1.09860       -1.45560        1.07840
C          2.35870       -1.46210        1.71860
C          2.95060       -2.67230        2.10290
C          2.28840       -3.88830        1.86370
C          1.03270       -3.88910        1.23820
C          0.43810       -2.67910        0.84450
C         -1.80100        4.10760        1.75120
H         -1.86100       -0.62930        0.86370
H         -1.29690       -0.89190       -0.81350
H         -1.50830        1.63530       -1.23480
H         -3.02170        0.76380       -0.94270
H         -2.97360        1.60700        1.49550
H         -3.24610        2.81240        0.18580
H          1.06230       -1.15750       -1.98890
H          2.29780       -0.37050       -4.00200
H          3.30020        1.92350       -4.04540
H          3.06170        3.42720       -2.05690
H          1.82240        2.65000       -0.03660
H          2.87590       -0.51590        1.91970
H          3.92710       -2.66450        2.59960
H          2.74800       -4.83390        2.17240
H          0.50840       -4.83430        1.05760
H         -0.54670       -2.69870        0.36600
H         -2.37170        4.74240        1.04760
H         -0.88040        4.62350        2.06500
H         -2.42120        3.86900        2.63560
43
Zn_po13
Zn        -2.17940       -1.50540        1.43240
Cl        -2.13900       -0.79340        3.59470
Cl        -2.71140       -3.58030        0.64850
P         -0.17790       -0.64210        0.11370
O         -3.48490        0.00900        0.42890
C         -0.48670       -0.70810       -1.72820
C          0.32050        1.09060        0.47840
C         -4.07720       -0.20580       -0.87800
C         -1.81030       -0.03530       -2.16070
C         -3.08010       -0.87000       -1.82410
C         -4.35440        0.77480        1.29280
C          1.34020       -1.66430        0.33670
C          2.63600       -1.10900        0.37190
C          3.75340       -1.94340        0.52780
C          3.58680       -3.33250        0.64760
C          2.29780       -3.88870        0.61680
C          1.17420       -3.06160        0.46900
C          0.17190        1.54370        1.80950
C          0.56410        2.84420        2.16010
C          1.09620        3.70900        1.19050
C          1.23770        3.26980       -0.13540
C          0.85510        1.96700       -0.49140
H         -0.49610       -1.78340       -1.98680
H          0.38130       -0.26920       -2.25400
H         -4.97920       -0.83970       -0.76180
H         -4.39570        0.78440       -1.26540
H         -1.75870        0.12800       -3.25310
H         -1.87910        0.97260       -1.70850
H         -2.80740       -1.85720       -1.40380
H         -3.63920       -1.09030       -2.75280
H         -4.52400        1.77650        0.85460
H         -3.84190        0.85690        2.26240
H         -5.32380        0.25790        1.42610
H          2.77070       -0.02480        0.28880
H          4.75740       -1.50480        0.56000
H          4.46180       -3.98030        0.77340
H          2.16070       -4.97060        0.72260
H          0.16850       -3.50250        0.46510
H         -0.26700        0.88260        2.56810
H          0.44400        3.18190        3.19550
H          1.39600        4.72660        1.46580
H          1.64860        3.94170       -0.89770
H          0.97710        1.64170       -1.53040
41
Zn_po14
Zn         2.37190        0.11020       -1.61480
Cl         1.39940       -1.30480       -3.12110
Cl         4.59760        0.36230       -1.22830
P          1.03660        0.01520        0.62470
O          1.58500        2.05880       -2.30910
C          0.73490        1.82770        1.08900
C         -0.64880       -0.71860        0.61780
C          0.85330        2.15660       -3.54990
C          1.48440        3.28560       -1.52890
C          1.99850        2.60620        0.85550
C          2.35040        3.21200       -0.30110
C          1.91230       -0.69290        2.08750
C          3.32480       -0.67340        2.09380
C          4.02590       -1.16540        3.20600
C          3.33260       -1.68810        4.30900
C          1.92800       -1.72040        4.29910
C          1.21760       -1.22670        3.19540
C         -1.68440       -0.27260        1.47010
C         -2.95250       -0.87020        1.41340
C         -3.19800       -1.91530        0.50760
C         -2.17600       -2.35740       -0.34670
C         -0.90610       -1.76180       -0.29930
H          0.40310        1.89440        2.14010
H         -0.09200        2.16260        0.43610
H          1.28870        2.95460       -4.18080
H         -0.21340        2.37890       -3.35180
H          0.94280        1.17790       -4.04340
H          1.80020        4.12510       -2.17830
H          0.41520        3.44170       -1.27250
H          2.72930        2.59370        1.67430
H          3.34720        3.66020       -0.37490
H          3.87770       -0.28940        1.22590
H          5.12140       -1.14960        3.19880
H          3.88430       -2.07670        5.17230
H          1.38080       -2.14200        5.15020
H          0.12310       -1.27590        3.18790
H         -1.50790        0.54310        2.18070
H         -3.75020       -0.51690        2.07680
H         -4.19050       -2.37770        0.46220
H         -2.36720       -3.16060       -1.06660
H         -0.12540       -2.08110       -1.00010
47
Zn_po15
Zn         1.17370        1.70970       -1.23910
Cl         0.44370        2.80100       -3.10720
Cl         3.22110        1.89000       -0.29520
P          0.27520       -0.71210       -1.24000
O         -0.44960        2.18990        0.20570
C         -0.45910       -1.01600        0.47680
C         -1.10960       -1.12330       -2.37830
C         -0.58460        1.80250        1.60330
C          0.46970       -0.54230        1.56980
C          0.45390        0.79860        2.04360
C         -1.46350        3.14980       -0.16480
C          1.53270       -2.04080       -1.46150
C          2.87570       -1.74300       -1.13880
C          3.86340       -2.73120       -1.27530
C          3.52530       -4.01130       -1.73970
C          2.19210       -4.30840       -2.07000
C          1.19760       -3.32900       -1.93380
C         -2.10550       -2.07470       -2.05980
C         -3.13190       -2.36070       -2.97320
C         -3.17590       -1.70270       -4.21340
C         -2.19460       -0.75110       -4.53310
C         -1.16820       -0.45590       -3.62230
C          1.38570        1.18980        3.02410
C          2.32170        0.28640        3.54390
C          2.33310       -1.03720        3.08320
C          1.41510       -1.44070        2.10330
H         -0.67100       -2.09440        0.58840
H         -1.42320       -0.47600        0.48070
H         -1.61250        1.39860        1.72940
H         -0.50870        2.71840        2.22170
H         -1.35900        4.06910        0.44270
H         -1.30270        3.37930       -1.22910
H         -2.47040        2.71560       -0.01110
H          3.15240       -0.73810       -0.79430
H          4.90320       -2.48960       -1.02810
H          4.30140       -4.77700       -1.85330
H          1.92690       -5.30290       -2.44730
H          0.16420       -3.56010       -2.21490
H         -2.08660       -2.60050       -1.09840
H         -3.89890       -3.09920       -2.71290
H         -3.97880       -1.92650       -4.92460
H         -2.22970       -0.22350       -5.49270
H         -0.42810        0.31620       -3.86450
H          1.37940        2.22790        3.37740
H          3.04250        0.61890        4.29870
H          3.05830       -1.75600        3.48060
H          1.43020       -2.47400        1.73730
63
Zn_po16
Zn        -1.65780        2.24260        0.42930
Cl        -2.36150        3.14250       -1.52590
Cl        -1.98880        3.03710        2.53650
P         -1.60210       -0.34040        0.29070
O          0.53920        2.11580        0.50970
C          3.06020       -1.58930       -4.14530
C          2.75340       -0.23820       -4.10830
C          2.20710        0.36040       -2.93440
C          1.97010       -0.45670       -1.76710
C          2.29080       -1.84560       -1.84340
C          2.82430       -2.39580       -3.00060
C          1.88250        1.74760       -2.89770
C          1.34770        2.31840       -1.75790
C          1.13050        1.51230       -0.61200
C          1.41930        0.14650       -0.57490
C          1.20300       -0.65780        0.67680
C          2.35760       -1.08770        1.42960
C          3.69150       -0.72830        1.05660
C          4.78230       -1.14560        1.80420
C          4.60260       -1.94680        2.96430
C          3.32510       -2.30840        3.35990
C          2.18060       -1.89060        2.61750
C          0.86250       -2.23850        3.02140
C         -0.23780       -1.80500        2.30370
C         -0.08430       -1.01330        1.12540
C          1.44220        2.86520        1.36700
C         -3.02080       -1.02210        1.26280
C         -1.70660       -1.16950       -1.34810
C         -3.41850       -0.32530        2.42660
C         -4.49060       -0.79750        3.19840
C         -5.18320       -1.95570        2.81270
C         -4.80010       -2.64430        1.65050
C         -3.72440       -2.18300        0.87650
C         -1.26410       -2.49800       -1.53500
C         -1.43390       -3.12750       -2.77730
C         -2.03800       -2.43660       -3.84140
C         -2.46320       -1.11080       -3.66260
C         -2.29880       -0.47270       -2.42270
H          3.48150       -2.03580       -5.05300
H          2.92550        0.39680       -4.98560
H          2.11380       -2.47920       -0.96920
H          3.06610       -3.46460       -3.03080
H          2.04720        2.35680       -3.79380
H          1.06020        3.37380       -1.72520
H          3.84680       -0.11300        0.16550
H          5.79330       -0.85470        1.49650
H          5.47360       -2.27240        3.54400
H          3.17050       -2.91970        4.25750
H          0.72670       -2.85100        3.92120
H         -1.24360       -2.06980        2.64240
H          2.20080        2.18070        1.78400
H          0.81060        3.27710        2.16830
H          1.92730        3.67530        0.79430
H         -2.89760        0.59260        2.72860
H         -4.78870       -0.24720        4.09790
H         -6.02640       -2.31710        3.41260
H         -5.34370       -3.54410        1.34020
H         -3.43960       -2.72040       -0.03390
H         -0.78960       -3.03860       -0.70750
H         -1.09010       -4.15920       -2.91470
H         -2.16870       -2.92950       -4.81150
H         -2.91900       -0.56060       -4.49350
H         -2.61180        0.57170       -2.29570
24
Zn_pp01
Zn         0.43150        0.00110        0.17100
Cl         0.21960        0.00330        2.41190
Cl         1.97760        0.01750       -1.48560
P         -1.51290        1.49080       -0.87780
P         -1.50800       -1.50260       -0.87970
C         -2.12900       -0.00660       -1.83130
C         -1.41360       -2.84360       -2.15830
C         -2.94900       -2.01240        0.17230
C         -1.40600        2.83000       -2.15680
C         -2.95840        2.00310        0.16640
H         -1.58790       -0.00410       -2.79620
H         -3.21520       -0.00740       -2.03880
H         -2.36770       -2.97750       -2.69810
H         -1.14470       -3.79300       -1.66410
H         -0.61320       -2.59560       -2.87550
H         -3.87320       -2.15630       -0.41510
H         -3.12080       -1.25580        0.95560
H         -2.69440       -2.95820        0.68060
H         -2.35510        2.96640       -2.70470
H         -0.59990        2.57900       -2.86660
H         -1.13810        3.77880       -1.66100
H         -3.87850        2.15180       -0.42630
H         -2.70400        2.94620        0.67960
H         -3.13770        1.24440        0.94610
52
Zn_pp02
Zn        -1.04120       -0.30350        2.34960
Cl        -3.04450       -1.37010        2.29180
Cl         0.26800        0.51080        4.01250
P          0.61520       -1.35530        0.54790
P         -0.91330        1.23440        0.20250
C          0.32740        0.08630       -0.65140
C         -2.33640        1.32380       -0.95360
C         -0.10570        2.89180        0.19980
C          0.22360       -2.87830       -0.41840
C          2.42980       -1.35280        0.82380
C         -2.18160        1.45130       -2.35320
C         -3.30850        1.49930       -3.18600
C         -4.59720        1.41870       -2.63080
C         -4.75750        1.28680       -1.24340
C         -3.63340        1.23700       -0.40430
C         -0.41460        3.91130       -0.72420
C          0.24700        5.14720       -0.65560
C          1.21690        5.37790        0.33310
C          1.51460        4.37120        1.26650
C          0.85130        3.13630        1.21200
C          2.89260       -1.56330        2.14050
C          4.26980       -1.56040        2.41310
C          5.19360       -1.34340        1.38020
C          4.74200       -1.12450        0.06770
C          3.36760       -1.12730       -0.21100
C         -1.13590       -3.26330       -0.47530
C         -1.51170       -4.40750       -1.19460
C         -0.54080       -5.18870       -1.84250
C          0.81310       -4.82410       -1.76540
C          1.19730       -3.67620       -1.05550
H         -0.07420       -0.27550       -1.61230
H          1.27230        0.62440       -0.83580
H         -1.18000        1.51440       -2.79520
H         -3.18120        1.59700       -4.27010
H         -5.47630        1.45070       -3.28420
H         -5.75960        1.20770       -0.80820
H         -3.76090        1.09550        0.67450
H         -1.17830        3.74500       -1.49150
H         -0.00220        5.93420       -1.37670
H          1.72960        6.34500        0.38450
H          2.25270        4.55110        2.05590
H          1.05680        2.37460        1.97520
H          2.17320       -1.69480        2.95620
H          4.61790       -1.71530        3.44010
H          6.26780       -1.33660        1.59700
H          5.46160       -0.94870       -0.74010
H          3.02560       -0.95270       -1.23800
H         -1.89700       -2.68650        0.06640
H         -2.56760       -4.69730       -1.23080
H         -0.83640       -6.08860       -2.39330
H          1.57810       -5.43780       -2.25470
H          2.25740       -3.40860       -0.99000
51
Zn_pp03
Zn        -0.96130       -0.02590        2.53870
Cl        -2.96800       -1.05250        2.78230
Cl         0.46630        1.04850        3.91620
P          0.59440       -1.27070        0.74690
P         -0.84370        1.20750        0.18880
N          0.48680        0.16440       -0.22690
C         -2.13250        1.01830       -1.10660
C         -0.14490        2.89060       -0.03150
C         -0.00330       -2.69670       -0.25310
C          2.40520       -1.55280        0.88600
C         -1.88140        1.23350       -2.48150
C         -2.89770        1.02800       -3.42440
C         -4.17360        0.61010       -3.00530
C         -4.42820        0.39060       -1.64320
C         -3.41190        0.58730       -0.69340
C         -0.73800        3.88180       -0.84080
C         -0.18300        5.17010       -0.89660
C          0.95770        5.48100       -0.14180
C          1.54020        4.50310        0.68290
C          0.98980        3.21690        0.74820
C          2.88890       -2.84330        1.20030
C          4.25820       -3.05340        1.41740
C          5.16060       -1.98080        1.32820
C          4.68520       -0.69420        1.02830
C          3.31500       -0.47660        0.81890
C         -1.27530       -3.22570        0.05640
C         -1.79750       -4.28560       -0.70230
C         -1.06000       -4.81950       -1.77000
C          0.20760       -4.29740       -2.08220
C          0.73670       -3.24230       -1.32710
H         -0.89180        1.56880       -2.81570
H         -2.69580        1.19520       -4.48870
H         -4.96710        0.45210       -3.74440
H         -5.41820        0.05630       -1.31370
H         -3.60530        0.38710        0.36820
H         -1.63360        3.64990       -1.42660
H         -0.64950        5.93370       -1.52940
H          1.38490        6.48940       -0.18300
H          2.41590        4.74760        1.29440
H          1.41710        2.47360        1.43150
H          2.19500       -3.68910        1.26670
H          4.62020       -4.05990        1.65590
H          6.23040       -2.14580        1.49870
H          5.38300        0.14800        0.96260
H          2.94600        0.52970        0.59430
H         -1.85660       -2.80720        0.88880
H         -2.78330       -4.69430       -0.45410
H         -1.46920       -5.64850       -2.35910
H          0.78540       -4.71710       -2.91360
H          1.73380       -2.85040       -1.56010
H          0.90560        0.19710       -1.16600
27
Zn_pp04
Zn         0.31870        0.00220        0.25050
Cl        -0.15700        0.02440        2.46480
Cl         2.17400       -0.03920       -1.05960
P         -1.29880        1.72170       -0.88120
P         -1.29480       -1.71400       -0.89690
C         -2.35260       -0.65900       -2.03570
C         -0.64930       -3.02050       -2.03980
C         -2.53960       -2.60120        0.15210
C         -0.76090        2.49790       -2.47680
C         -2.07170        3.11480        0.06280
C         -2.77650        0.67910       -1.38410
H         -1.74700       -0.46850       -2.94210
H         -3.24350       -1.22990       -2.36080
H         -1.45020       -3.49130       -2.63710
H         -0.13760       -3.79740       -1.44720
H          0.09800       -2.56550       -2.71150
H         -3.29850       -3.13240       -0.45000
H         -3.03620       -1.87890        0.82140
H         -2.01050       -3.32700        0.79270
H         -1.58780        3.02100       -2.98990
H         -0.34420        1.72180       -3.14050
H          0.05100        3.21500       -2.26910
H         -2.90340        3.58970       -0.48730
H         -1.29980        3.87440        0.27330
H         -2.43710        2.73070        1.02980
H         -3.43190        1.25160       -2.06840
H         -3.35980        0.49080       -0.46270
55
Zn_pp05
Zn         0.42250        1.21540       -1.19460
Cl        -1.22980        2.75260       -1.47710
Cl         2.41110        1.03010       -2.28850
P          0.69460        0.97120        1.40920
P         -0.46130       -1.24240       -0.98680
C         -2.28420       -1.52440       -0.94690
C          0.25150       -2.55350       -2.05960
C          0.07540       -1.72170        0.75140
C         -0.25880       -0.61120        1.77190
C         -0.07090        2.22210        2.51650
C          2.36660        0.61200        2.10320
C         -3.12650       -0.39550       -0.84320
C         -4.51830       -0.56460       -0.75740
C         -5.07750       -1.85040       -0.78700
C         -4.24390       -2.97550       -0.90850
C         -2.85380       -2.81600       -0.98850
C          0.57770       -2.20630       -3.38880
C          1.10080       -3.16970       -4.26400
C          1.31550       -4.48440       -3.82130
C          1.01090       -4.83400       -2.49550
C          0.48270       -3.87530       -1.61760
C          2.62720        0.61180        3.49100
C          3.90590        0.29210        3.96720
C          4.93530       -0.02860        3.06540
C          4.68550       -0.01900        1.68540
C          3.40820        0.30660        1.19970
C         -0.04300        3.57000        2.09690
C         -0.58640        4.57560        2.90970
C         -1.17380        4.24820        4.14170
C         -1.22200        2.90810        4.55870
C         -0.67510        1.89890        3.75210
H         -2.69980        0.61620       -0.86300
H         -5.16370        0.31760       -0.68230
H         -6.16450       -1.97840       -0.72900
H         -4.67880       -3.98090       -0.94840
H         -2.21190       -3.69710       -1.10230
H          0.44530       -1.17410       -3.73100
H          1.35350       -2.88530       -5.29120
H          1.72910       -5.23410       -4.50500
H          1.18720       -5.85600       -2.14100
H          0.25650       -4.16290       -0.58440
H          1.83530        0.88010        4.19970
H          4.10220        0.30090        5.04560
H          5.93550       -0.27360        3.44100
H          5.48810       -0.25040        0.97640
H          3.23080        0.35090        0.11700
H          0.38390        3.82890        1.12160
H         -0.56120        5.61660        2.56950
H         -1.60270        5.03470        4.77250
H         -1.68890        2.64520        5.51480
H         -0.72680        0.85750        4.08980
H          1.16630       -1.90410        0.71820
H         -0.41470       -2.66570        1.05310
H         -1.33580       -0.36070        1.73220
H         -0.03350       -0.96460        2.79500
95
Zn_pp06
Zn        -0.06580       -0.35600        0.76380
Cl         0.54370        1.48250        1.92920
Cl        -0.70280       -2.46700        1.26750
P          1.71070       -0.30260       -1.15510
P         -1.60670        0.01510       -1.34270
C          0.81370       -0.53470       -2.78630
C          3.26060       -1.34350       -1.39160
C          2.70330        1.31950       -1.26840
C         -0.53560        0.22110       -2.86870
C         -2.81300       -1.42890       -1.67260
C         -2.94800        1.31590       -1.58880
N         -4.10740       -0.77090       -1.90850
N         -4.01080        0.58170       -2.32340
H         -2.88530       -2.00070       -0.73090
C         -3.43980        1.93160       -0.28860
C         -3.70930        1.14440        0.84980
C         -4.17680        1.74070        2.02860
C         -4.38410        3.12840        2.08110
C         -4.12700        3.91620        0.94930
C         -3.66010        3.32160       -0.23170
N          4.13940       -0.43110       -2.16130
N          4.04590        0.91030       -1.71810
C          3.89430       -1.84500       -0.09990
C          4.55200       -3.09230       -0.11320
C          5.18060       -3.57360        1.04430
C          5.15940       -2.81780        2.22700
C          4.50520       -1.57630        2.24680
C          3.87680       -1.09030        1.09060
C          2.05480        2.38260       -2.13900
C          1.14390        3.27910       -1.54480
C          0.49240        4.24330       -2.32850
C          0.74830        4.32670       -3.70730
C          1.66440        3.44230       -4.29860
C          2.31400        2.47280       -3.52000
C          5.22800       -0.93030       -2.87800
C          6.28710        0.06710       -3.17280
C          5.07100        1.84680       -1.84080
O          4.93290        2.99340       -1.39340
O          5.27920       -2.13130       -3.18880
C          7.39090       -0.32800       -3.95330
C          8.43360        0.57310       -4.19030
C          8.38780        1.87160       -3.64350
C          7.29940        2.26890       -2.86100
C          6.24250        1.37080       -2.62190
C         -5.27760       -1.52730       -1.95890
C         -6.44240       -0.81760       -2.54880
C         -6.33210        0.50440       -3.04380
C         -5.08710        1.29120       -2.86800
O         -5.27720       -2.71110       -1.59410
O         -4.96800        2.49790       -3.13320
C         -7.66400       -1.50800       -2.65990
C         -8.76370       -0.88450       -3.25690
C         -8.65470        0.43260       -3.74790
C         -7.44640        1.12690       -3.63880
H         -1.08630       -0.10120       -3.77080
H         -0.35130        1.30780       -2.95150
H         -2.57840        2.10340       -2.26450
H         -3.55110        0.05810        0.82970
H         -4.37110        1.11930        2.90970
H         -4.74090        3.59470        3.00640
H         -4.29020        4.99950        0.98320
H         -3.47910        3.93070       -1.12390
H          3.04430       -2.19280       -2.05980
H          2.77780        1.70330       -0.23440
H          4.58280       -3.67300       -1.04190
H          5.68620       -4.54600        1.02080
H          5.64620       -3.19770        3.13260
H          4.47320       -0.98180        3.16670
H          3.35930       -0.12340        1.14220
H          0.95080        3.21810       -0.46590
H         -0.20550        4.94280       -1.85420
H          0.24490        5.08620       -4.31650
H          1.88280        3.51170       -5.37060
H          3.04620        1.80100       -3.98430
H          7.40720       -1.34770       -4.35140
H          9.28990        0.26750       -4.80240
H          9.20790        2.57340       -3.83320
H          7.23320        3.27270       -2.42860
H         -7.71690       -2.53180       -2.27520
H         -9.71470       -1.42240       -3.34320
H         -9.52120        0.91570       -4.21340
H         -7.33670        2.15630       -3.99510
H          1.45750       -0.24630       -3.63620
H          0.63480       -1.62490       -2.85760
C         -1.52900       -4.12320       -4.82290
C         -2.31280       -3.00370       -5.14250
C         -2.73470       -2.12540       -4.13290
C         -2.38220       -2.36610       -2.79040
C         -1.59770       -3.49310       -2.47160
C         -1.17320       -4.36500       -3.48600
H         -1.20450       -4.81070       -5.61240
H         -2.60530       -2.81510       -6.18200
H         -3.36610       -1.26500       -4.38580
H         -1.33260       -3.68780       -1.42420
H         -0.57500       -5.24600       -3.22600
66
Zn_pp07
Zn        -0.10180        1.40540        0.21260
Cl        -0.30860        3.48700       -0.69050
Cl        -0.08000        0.50600        2.25370
P          1.63790        0.39790       -1.48810
P         -1.71710        0.26350       -1.67410
O          2.71510        1.39000       -2.29040
O          2.49820       -0.87720       -0.84840
O         -2.02160       -1.38360       -1.85330
O         -3.08360        1.01710       -2.25930
C          3.43270        2.37360       -1.58010
C          4.03810        2.10020       -0.34380
H          3.95460        1.10760        0.11050
C          4.76520        3.12090        0.29070
H          5.23270        2.91820        1.26050
C          4.89860        4.38160       -0.30990
H          5.46880        5.17110        0.19100
C          4.29550        4.62850       -1.55420
H          4.38930        5.61280       -2.02600
C          3.55550        3.62600       -2.19660
H          3.06220        3.80300       -3.15690
C          3.16520       -1.85380       -1.60700
C          4.25310       -1.51780       -2.42820
H          4.57620       -0.47640       -2.51160
C          4.91810       -2.54260       -3.11950
H          5.76950       -2.29030       -3.76170
C          4.50600       -3.87790       -2.98620
H          5.03290       -4.67120       -3.52720
C          3.42200       -4.19510       -2.15070
H          3.10110       -5.23640       -2.03600
C          2.74380       -3.18300       -1.45450
H          1.90250       -3.40450       -0.79010
C         -2.35270       -2.22770       -0.78170
C         -2.14360       -3.59720       -1.01260
H         -1.74000       -3.91870       -1.97830
C         -2.45670       -4.52130       -0.00610
H         -2.29250       -5.58950       -0.18840
C         -2.96880       -4.08370        1.22630
H         -3.20600       -4.80610        2.01440
C         -3.17450       -2.71240        1.44190
H         -3.56900       -2.35690        2.39940
C         -2.87810       -1.77540        0.43800
H         -3.05140       -0.70880        0.61560
C         -4.09980        1.37310       -1.34480
C         -3.90110        2.42910       -0.44360
H         -2.95490        2.98190       -0.44550
C         -4.94420        2.76860        0.43330
H         -4.79800        3.59170        1.14170
C         -6.16130        2.06960        0.40140
H         -6.96780        2.34070        1.09110
C         -6.34170        1.02430       -0.51920
H         -7.28930        0.47500       -0.55030
C         -5.30900        0.66560       -1.39860
H         -5.42330       -0.15250       -2.11590
C          0.72270       -0.29610       -2.95540
H          0.48470       -1.33780       -2.65850
C          1.37170       -0.29330       -4.37150
H          1.91950       -1.23440       -4.54180
H          2.10010        0.52870       -4.45690
C          0.18580       -0.08980       -5.37370
H          0.15560       -0.87740       -6.14600
H          0.30040        0.87430       -5.90090
C         -1.11230       -0.07200       -4.52240
H         -1.51410       -1.09320       -4.39380
H         -1.90990        0.55400       -4.95430
C         -0.63160        0.45940       -3.15610
H         -0.44320        1.55180       -3.21620
53
Zn_pp08
Zn        -1.65070       -1.74460       -0.44630
Cl        -1.41070       -3.76210       -1.45410
Cl        -3.40070       -0.77270        0.64630
P          0.40550       -1.03130        1.01210
P         -0.64720        0.14550       -1.95190
C          0.62380       -0.35580       -3.18300
C         -1.72430        1.37900       -2.79260
C          0.24090        1.18420       -0.72270
C          0.65180        0.71290        0.47860
C          2.02480       -1.84940        0.71370
C          0.24800       -0.84300        2.83550
C          0.37420       -1.52590       -3.93380
C          1.29150       -1.94280       -4.91050
C          2.46690       -1.20840       -5.13690
C          2.72810       -0.05440       -4.37950
C          1.81230        0.37300       -3.40650
C         -2.96500        1.67460       -2.18530
C         -3.80710        2.64130       -2.75580
C         -3.42630        3.30530       -3.93250
C         -2.19880        3.00230       -4.54430
C         -1.34690        2.04250       -3.97840
C          1.10280       -1.49140        3.74990
C          0.90250       -1.33280        5.13000
C         -0.14840       -0.53320        5.60570
C         -1.01180        0.10030        4.69740
C         -0.82560       -0.05980        3.31700
C          3.24700       -1.26340        1.11530
C          4.45730       -1.92330        0.86460
C          4.45750       -3.16900        0.21240
C          3.24750       -3.75160       -0.19160
C          2.02990       -3.09530        0.05260
H         -0.52210       -2.12470       -3.73320
H          1.08970       -2.85290       -5.48610
H          3.18430       -1.53960       -5.89610
H          3.64980        0.51550       -4.54440
H          2.02740        1.27000       -2.81480
H         -3.27270        1.14430       -1.27440
H         -4.76820        2.86740       -2.28050
H         -4.08970        4.05500       -4.37910
H         -1.90340        3.51330       -5.46800
H         -0.39320        1.80260       -4.46190
H          1.92620       -2.11470        3.38620
H          1.57270       -1.83750        5.83530
H         -0.30080       -0.41200        6.68420
H         -1.84550        0.71040        5.06270
H         -1.52800        0.40150        2.61290
H          3.25090       -0.29720        1.63310
H          5.40250       -1.46580        1.17870
H          5.40570       -3.68360        0.01850
H          3.24410       -4.72050       -0.70300
H          1.08600       -3.54580       -0.28070
H          0.37920        2.24910       -0.96180
H          1.12590        1.39840        1.19660
59
Zn_pp09
Zn        -1.30230       -1.75360       -0.29550
Cl        -0.24850       -3.61560        0.51390
Cl        -3.34370       -1.52330       -1.25220
P         -0.67620        0.14610        1.37840
P          0.55270       -0.45220       -1.58970
C          1.67150       -1.33970       -2.75020
C         -0.00230        1.04570       -2.50260
C          1.66240        0.17330       -0.24620
C          1.12680        0.42810        1.04990
C         -0.76820       -0.15720        3.19030
C         -1.48410        1.77390        1.09250
C          2.01300       -2.67610       -2.44080
C          2.85420       -3.39800       -3.30010
C          3.34910       -2.80370       -4.47260
C          3.00100       -1.48100       -4.78890
C          2.16460       -0.74800       -3.93290
C          0.73400        2.24950       -2.52160
C          0.27920        3.34000       -3.27820
C         -0.91070        3.23790       -4.01610
C         -1.65290        2.04660       -3.99010
C         -1.20960        0.95410       -3.23010
C         -0.82880        3.00770        1.29590
C         -1.51990        4.21280        1.09830
C         -2.86530        4.19800        0.69440
C         -3.51690        2.97350        0.47760
C         -2.83200        1.76370        0.66940
C         -1.14190        0.83520        4.12050
C         -1.18800        0.53080        5.49040
C         -0.86380       -0.75950        5.94050
C         -0.50010       -1.75150        5.01460
C         -0.45640       -1.45960        3.64350
C          1.99200        0.85120        2.08130
C          3.36210        1.03470        1.84370
C          3.88890        0.78000        0.56870
C          3.04540        0.34550       -0.46400
H          1.60910       -3.15130       -1.53730
H          3.11290       -4.43440       -3.05630
H          3.99910       -3.37470       -5.14550
H          3.37760       -1.01690       -5.70780
H          1.88510        0.27980       -4.18900
H          1.66350        2.33230       -1.94680
H          0.85530        4.27260       -3.28850
H         -1.26410        4.09160       -4.60610
H         -2.59310        1.96980       -4.54740
H         -1.81350        0.04010       -3.18000
H          0.22390        3.02570        1.60120
H         -1.00250        5.16650        1.25530
H         -3.40150        5.14110        0.53940
H         -4.56030        2.95460        0.14390
H         -3.33490        0.81110        0.46110
H         -1.40180        1.84190        3.77480
H         -1.48140        1.30650        6.20710
H         -0.90340       -0.99380        7.01020
H         -0.25820       -2.76410        5.35660
H         -0.19150       -2.24400        2.92200
H          1.58680        1.02220        3.08500
H          4.01770        1.36320        2.65800
H          4.96060        0.90740        0.37750
H          3.46400        0.12170       -1.45170
51
Zn_pp10
Zn         0.14400       -1.60260       -1.50330
Cl         0.59130       -0.64750       -3.52340
Cl        -0.26700       -3.75560       -0.90620
P         -1.58620       -0.26070       -0.12670
P          1.78220       -0.30360        0.04470
C         -3.01360        0.76200       -0.84580
C         -2.70780       -1.34750        0.95580
C         -0.65790        0.88520        1.00700
C          0.76780        0.86710        1.07790
C          3.05020        0.72570       -0.93230
C          3.07170       -1.02540        1.23810
C         -4.27280       -0.07710       -0.50760
C         -4.09690       -0.66900        0.90230
C          4.36300        0.63460       -0.11830
C          4.42030       -0.76490        0.52050
C         -2.84490        1.08010       -2.33880
C          2.60990        2.13560       -1.34280
C          2.81580       -2.49390        1.60480
C         -1.36680        1.79060        1.83140
C         -0.70660        2.66870        2.69890
C          0.69460        2.66010        2.75930
C          1.41510        1.76590        1.95850
C         -2.18090       -1.67330        2.35800
H         -3.05160        1.70940       -0.27350
H         -5.18410        0.54390       -0.59350
H         -4.37300       -0.89800       -1.24530
H         -4.89470       -1.39500        1.14920
H         -4.15180        0.13620        1.66310
H         -2.74590       -2.29060        0.37460
H          3.16290        0.12530       -1.85700
H          5.23730        0.82950       -0.76790
H          4.37400        1.41310        0.67150
H          5.26100       -0.86910        1.23220
H          4.57090       -1.52910       -0.26770
H          3.03460       -0.40760        2.15680
H         -2.74720        0.15920       -2.94000
H         -3.72300        1.64180       -2.70950
H         -1.94530        1.68890       -2.53050
H          2.39860        2.77600       -0.46810
H          3.41050        2.61990       -1.93240
H          1.70770        2.09680       -1.97700
H          2.76910       -3.13450        0.70700
H          3.62610       -2.87060        2.25690
H          1.86220       -2.61960        2.14590
H         -2.46170        1.80780        1.79750
H         -1.28540        3.35580        3.32640
H          1.22600        3.34650        3.42810
H          2.50920        1.76790        2.01850
H         -2.05060       -0.76400        2.97140
H         -2.89330       -2.33770        2.88120
H         -1.21280       -2.20130        2.30820
56
Zn_pp11
Zn        -0.00320       -0.03290        0.24950
Cl         0.23850       -2.05920        1.24950
Cl        -0.23830        1.96970        1.29880
P          1.75520        0.18490       -1.70320
P         -1.75190       -0.22900       -1.71070
C          0.68570        0.05350       -3.21030
C          1.13010        0.15460       -4.64630
O          0.00610       -0.00700       -5.46960
C         -1.11930       -0.17500       -4.64950
C         -0.67650       -0.08710       -3.21220
O         -2.21920       -0.35890       -5.12340
O          2.23020        0.34530       -5.11730
C         -2.63180       -1.82460       -1.97560
C         -2.98920        1.12970       -1.81530
C          2.99260       -1.17390       -1.81050
C          2.64290        1.78040       -1.94880
C         -2.02000       -2.98710       -1.45610
C         -2.64470       -4.23310       -1.61490
C         -3.87990       -4.32420       -2.27390
C         -4.49730       -3.16500       -2.77380
C         -3.87830       -1.91610       -2.62890
C         -3.28930        1.76870       -0.59000
C         -4.26150        2.77900       -0.54260
C         -4.93030        3.16980       -1.71170
C         -4.62770        2.54620       -2.93340
C         -3.66460        1.52850       -2.99190
C          3.87290        1.87780       -2.63290
C          4.50200        3.12350       -2.75870
C          3.91220        4.27400       -2.20790
C          2.69440        4.17720       -1.51830
C          2.05880        2.93400       -1.37990
C          3.30620       -1.80200       -0.58320
C          4.28150       -2.80930       -0.53630
C          4.93950       -3.20880       -1.70850
C          4.62250       -2.59720       -2.93260
C          3.65600       -1.58250       -2.99040
H         -1.07880       -2.91750       -0.89710
H         -2.16790       -5.12990       -1.20450
H         -4.36980       -5.29770       -2.38940
H         -5.46760       -3.23160       -3.27860
H         -4.36790       -1.01710       -3.01500
H         -2.74580        1.50140        0.32260
H         -4.48230        3.26710        0.41290
H         -5.68400        3.96450       -1.67360
H         -5.14400        2.85200       -3.85050
H         -3.44580        1.04550       -3.94810
H          4.34200        0.98570       -3.05780
H          5.45860        3.19490       -3.28840
H          4.41020        5.24510       -2.30820
H          2.23980        5.06670       -1.06850
H          1.13080        2.85850       -0.79970
H          2.77120       -1.52790        0.33240
H          4.51280       -3.28840        0.42120
H          5.69540       -4.00150       -1.67100
H          5.13050       -2.90930       -3.85210
H          3.42690       -1.10860       -3.94870
30
Zn_pp12
Zn         0.34710        0.00360        0.08120
Cl        -0.22150        0.00380        2.30670
Cl         2.25720       -0.01670       -1.14070
P         -1.21930        1.84740       -0.72550
P         -1.22070       -1.84400       -0.72690
C         -3.01360       -1.31500       -0.63450
C         -1.03990       -2.52470       -2.44270
C         -1.19390       -3.35180        0.34770
C         -1.04460        2.52670       -2.44240
C         -1.19380        3.35630        0.34740
C         -3.01030        1.31320       -0.62780
C         -3.37880        0.00130       -1.36470
H         -3.63280       -2.14300       -1.03140
H         -3.25100       -1.22260        0.44250
H         -1.75160       -3.34590       -2.64200
H         -0.00820       -2.89480       -2.56820
H         -1.19500       -1.72300       -3.18450
H         -1.99580       -4.06580        0.08820
H         -1.29940       -3.03420        1.39890
H         -0.21600       -3.85160        0.24010
H         -1.76300        3.34200       -2.64220
H         -1.19420        1.72260       -3.18290
H         -0.01620        2.90500       -2.56960
H         -1.99740        4.06840        0.08790
H         -0.21700        3.85780        0.23790
H         -1.29750        3.03990        1.39910
H         -4.47740        0.00320       -1.50130
H         -2.96050        0.00320       -2.39100
H         -3.24220        1.21420        0.44980
H         -3.63180        2.14340       -1.01650
58
Zn_pp13
Zn        -1.40750        0.49990       -1.02470
Cl        -0.67800       -0.84650       -2.75580
Cl        -3.45000        1.41300       -0.59300
P         -0.42400       -0.74910        1.01090
P          0.47630        2.25130       -0.91110
C          0.83340        3.18860       -2.46270
C          0.35600        3.50870        0.42460
C          2.08380        1.33360       -0.60610
C          1.43700       -0.82090        0.77340
C         -0.86540       -2.53170        1.20060
C         -0.69690        0.00250        2.66700
C          0.71150        2.50070       -3.69130
C          0.98210        3.16530       -4.89690
C          1.36020        4.51770       -4.89260
C          1.47040        5.20710       -3.67470
C          1.20950        4.54840       -2.46250
C          1.48110        4.05590        1.08040
C          1.31530        5.03120        2.07540
C          0.02750        5.47280        2.42050
C         -1.09520        4.93290        1.77400
C         -0.93710        3.95080        0.78480
C          0.22500       -0.10610        3.73190
C         -0.06670        0.46220        4.98110
C         -1.28200        1.13670        5.18130
C         -2.20230        1.25020        4.12780
C         -1.91210        0.69380        2.87260
C         -0.98390       -3.31160        0.02800
C         -1.30490       -4.67360        0.12240
C         -1.52320       -5.26530        1.37680
C         -1.41970       -4.49090        2.54270
C         -1.09180       -3.12880        2.45860
C          2.18490        0.53340        0.71520
H          0.38930        1.45130       -3.70490
H          0.88050        2.62360       -5.84400
H          1.56050        5.03620       -5.83700
H          1.75470        6.26570       -3.66530
H          1.28630        5.09770       -1.51800
H          2.49240        3.72770        0.81410
H          2.19420        5.44860        2.58020
H         -0.09990        6.23560        3.19740
H         -2.10250        5.26900        2.04470
H         -1.81950        3.51370        0.29900
H          1.17140       -0.64130        3.59330
H          0.65550        0.37440        5.80100
H         -1.50900        1.57670        6.15920
H         -3.14930        1.78050        4.27760
H         -2.62500        0.80430        2.04490
H         -0.84420       -2.84880       -0.95760
H         -1.39890       -5.26940       -0.79240
H         -1.78300       -6.32790        1.44560
H         -1.59940       -4.94560        3.52390
H         -1.02210       -2.52950        3.37270
H          2.91410        2.06180       -0.66510
H          2.19520        0.66010       -1.47700
H          1.86340       -1.44840        1.57830
H          1.57890       -1.38240       -0.16950
H          3.25860        0.31000        0.86940
H          1.88770        1.17050        1.56990
65
Zn_pp14
Zn         1.37100       -0.31570       -2.13760
Cl         3.61200        0.13070       -2.14570
Cl        -0.19480       -0.02040       -3.75560
P          0.55820        0.46760        0.15560
P          1.10430       -2.59450       -1.00700
C          1.49340       -0.28500        1.58540
C         -1.22200        0.18650        0.53040
C          0.76520        2.29190        0.35230
C          1.91510       -2.71080        0.67030
C          1.90940       -3.91210       -2.02380
C         -0.61050       -3.22110       -0.77080
C          2.38880        0.24120        3.83100
C          1.69740        0.59830        2.65240
C          2.00980       -1.64600        1.66050
C          2.48400       -3.96270        0.93520
C          3.16220       -4.26400        2.13640
C          3.27700       -3.28290        3.09760
C          2.72040       -1.98710        2.89280
C          2.89130       -1.03750        3.94100
C         -1.69260       -0.17650        1.80930
C         -3.07080       -0.31210        2.03860
C         -3.98540       -0.08330        0.99870
C         -3.51980        0.27080       -0.27800
C         -2.14450        0.39840       -0.51850
C          1.95290        2.87310       -0.14680
C          2.13830        4.26060       -0.07080
C          1.14270        5.07920        0.48770
C         -0.04330        4.50630        0.97280
C         -0.23550        3.11760        0.90640
C          3.15350       -3.61380       -2.62510
C          3.77440       -4.55900       -3.45370
C          3.16080       -5.79840       -3.70060
C          1.92020       -6.09260       -3.11510
C          1.29350       -5.15540       -2.27860
C         -1.53750       -2.97160       -1.80750
C         -2.83780       -3.48890       -1.72320
C         -3.22940       -4.24120       -0.60400
C         -2.31630       -4.47520        0.43610
C         -1.00970       -3.96980        0.35560
H          2.51830        0.97450        4.63400
H          1.30940        1.61820        2.57260
H          2.41040       -4.74590        0.17450
H          3.58770       -5.26180        2.28900
H          3.80080       -3.47680        4.04120
H          3.43640       -1.35330        4.83870
H         -0.98320       -0.34770        2.62640
H         -3.42980       -0.59680        3.03460
H         -5.06130       -0.18830        1.18140
H         -4.22830        0.43910       -1.09710
H         -1.78470        0.65000       -1.52450
H          2.72420        2.24040       -0.60540
H          3.06080        4.70320       -0.46330
H          1.28700        6.16470        0.53490
H         -0.82710        5.14170        1.40130
H         -1.16520        2.67600        1.28120
H          3.62560       -2.63680       -2.45850
H          4.73760       -4.31820       -3.91770
H          3.64450       -6.52900       -4.35910
H          1.43340       -7.05550       -3.30960
H          0.32320       -5.38960       -1.82830
H         -1.24350       -2.36420       -2.67310
H         -3.54940       -3.29270       -2.53340
H         -4.24880       -4.63920       -0.53910
H         -2.62050       -5.05510        1.31550
H         -0.29880       -4.16230        1.16660
88
Zn_pp15
Zn        -0.08280        0.26110        0.24970
Cl         0.02290        2.49830        0.86580
Cl        -0.14670       -1.53270        1.65060
P          1.78880        0.08420       -1.51280
P         -1.79420        0.18120       -1.61610
C          0.00260        1.45900       -3.46610
C          0.10940        1.81400       -4.86550
C          1.44480        1.56390       -5.32530
C          2.19600        1.03910       -4.22470
C          1.32210        0.93800       -3.06900
Fe         1.46230        2.87330       -3.74890
C          2.17700        4.07660       -2.22700
C          3.07840        4.08570       -3.34690
C          2.35460        4.56460       -4.49430
C          1.00500        4.84830       -4.08060
C          0.89730        4.54490       -2.67860
C          2.07620       -1.68190       -2.00140
C          2.22670       -2.60580       -0.94070
C          2.47280       -3.96010       -1.20920
C          2.56000       -4.41640       -2.53510
C          2.39400       -3.50840       -3.59300
C          2.15180       -2.14850       -3.33120
C          3.48090        0.65700       -1.04560
C          3.59470        1.58790        0.00990
C          4.86200        2.02050        0.43100
C          6.01990        1.52400       -0.18790
C          5.91150        0.58580       -1.22790
C          4.64820        0.14630       -1.65170
C         -1.26120        1.69750       -2.63630
C         -2.37400        2.37440       -3.46010
H         -0.68260        2.26520       -5.46320
H          1.83030        1.78420       -6.32270
H          3.25440        0.77330       -4.23090
H          2.40270        3.73050       -1.21900
H          4.11690        3.75200       -3.33460
H          2.74830        4.66060       -5.50790
H          0.19940        5.20080       -4.72720
H          0.00160        4.62400       -2.06060
H          2.12460       -2.27120        0.09870
H          2.58170       -4.66200       -0.37480
H          2.74830       -5.47610       -2.74230
H          2.45280       -3.85670       -4.63090
H          2.02130       -1.45200       -4.16600
H          2.69060        1.96060        0.51020
H          4.94110        2.73720        1.25630
H          7.00860        1.85530        0.15040
H          6.81440        0.18220       -1.70110
H          4.57060       -0.61670       -2.43520
H         -0.98620        2.38280       -1.80990
H         -2.75320        1.72700       -4.26940
H         -1.99220        3.30780       -3.91360
H         -3.22380        2.64950       -2.81670
*          1.01500        1.36280       -4.19010
*          1.90250        4.42400       -3.36550
C         -2.14350       -2.66110       -4.82240
C         -2.36360       -1.31790       -4.08970
C         -1.74670       -1.37240       -2.67200
C         -2.29250       -2.56710       -1.84600
C         -2.07570       -3.89590       -2.59930
C         -2.69250       -3.85070       -4.01060
H         -1.05630       -2.80540       -4.98950
H         -2.61520       -2.62230       -5.82310
H         -3.44870       -1.10900       -4.02880
H         -1.90770       -0.49500       -4.67100
H         -0.65620       -1.53900       -2.79810
H         -1.80260       -2.60350       -0.85420
H         -3.37820       -2.42840       -1.66520
H         -0.98760       -4.09370       -2.67620
H         -2.50740       -4.72860       -2.01220
H         -3.79530       -3.75700       -3.92560
H         -2.49940       -4.80030       -4.54530
C         -6.07420        0.35910       -1.04090
C         -4.76020        0.29520       -1.85340
C         -3.53410        0.41430       -0.91590
C         -3.60850        1.70080       -0.04910
C         -4.92850        1.75040        0.74760
C         -6.15340        1.63230       -0.17800
H         -6.13430       -0.53220       -0.38280
H         -6.93860        0.29990       -1.72980
H         -4.75100        1.11260       -2.59930
H         -4.72530       -0.65320       -2.41890
H         -3.57540       -0.44500       -0.21110
H         -2.74410        1.76520        0.63660
H         -3.54970        2.59540       -0.70090
H         -4.93910        0.92070        1.48370
H         -4.96990        2.68870        1.33240
H         -6.19880        2.52120       -0.84130
H         -7.08770        1.63610        0.41520
70
Zn_pp16
Zn       -11.83720       -2.16550       -2.62950
Cl       -13.10460       -1.43050       -4.39860
Cl        -9.98120       -3.50030       -2.78010
P        -13.47650       -3.03490       -0.76260
P        -11.10610        0.03020       -1.51560
C        -14.13790       -1.74270        0.36540
C        -15.00870       -3.85490       -1.39930
C        -12.74990       -4.26010        0.41090
C        -12.55330        0.99690       -0.98080
C        -10.19840        1.13260       -2.67680
C        -10.00870       -0.07500       -0.04020
Fe       -14.07260        0.32330        0.21760
C        -15.47230       -1.18980        0.36430
H        -16.24790       -1.42070       -0.36690
C        -15.58660       -0.28590        1.47400
H        -16.46700        0.31010        1.72210
C        -14.32700       -0.26450        2.16650
H        -14.07970        0.35180        3.03310
C        -13.42430       -1.14510        1.47840
H        -12.38260       -1.33260        1.74180
C        -13.80660        0.99270       -1.71190
H        -13.99700        0.41790       -2.62230
C        -14.72520        1.84770       -1.02030
H        -15.76440        2.02520       -1.30220
C        -14.06300        2.37910        0.14020
H        -14.51290        3.02670        0.89550
C        -12.72430        1.85810        0.17120
H        -11.97880        2.03580        0.94720
C        -15.68190       -4.85350       -0.66260
H        -15.28520       -5.18740        0.30210
C        -16.85120       -5.43590       -1.17180
H        -17.36310       -6.21560       -0.59580
C        -17.36050       -5.02790       -2.41580
H        -18.27240       -5.48890       -2.81290
C        -16.69170       -4.03970       -3.15330
H        -17.07330       -3.72640       -4.13160
C        -15.51490       -3.45720       -2.65550
H        -14.98300       -2.70730       -3.25420
C        -11.74090       -5.12350       -0.06950
H        -11.36020       -5.01350       -1.09220
C        -11.19340       -6.10340        0.77370
H        -10.40630       -6.76260        0.39080
C        -11.64050       -6.22970        2.09750
H        -11.20790       -6.99370        2.75380
C        -12.64150       -5.37190        2.58260
H        -12.99390       -5.46490        3.61660
C        -13.19630       -4.39230        1.74570
H        -13.97310       -3.72440        2.13340
C        -10.48830        2.50510       -2.81040
H        -11.29340        2.95540       -2.21860
C         -9.75300        3.29270       -3.70970
H         -9.98500        4.35910       -3.81300
C         -8.73040        2.71580       -4.47870
H         -8.16090        3.33250       -5.18350
C         -8.44580        1.34600       -4.35470
H         -7.65840        0.88930       -4.96460
C         -9.17900        0.55140       -3.46260
H         -8.96600       -0.52230       -3.38190
C         -9.37780        1.06760        0.49890
H         -9.50990        2.04340        0.01680
C         -8.56370        0.95480        1.63520
H         -8.07940        1.84700        2.04870
C         -8.35920       -0.30020        2.23410
H         -7.71800       -0.38670        3.11890
C         -8.95950       -1.44410        1.68620
H         -8.78270       -2.42900        2.13270
C         -9.77820       -1.33510        0.55010
H        -10.21350       -2.23750        0.10480
*        -14.58960       -0.92560        1.16970
*        -13.57450        1.61490       -0.68030
33
Zn_pp17
Zn        -0.11380        0.04430        0.36430
Cl        -0.19580        1.90790        1.71890
Cl         0.02260       -2.17810        0.82280
P          1.87050        0.68890       -1.17440
P         -2.15680        0.48250       -1.14480
C          1.50160        1.12130       -2.95950
C         -1.67350        1.40050       -2.69800
C          0.68430        2.41440       -3.18540
C         -0.64540        2.53500       -2.40770
H          0.97380        0.24270       -3.37860
H          2.46170        1.19580       -3.50680
H          1.31470        3.28670       -2.92760
H          0.48180        2.49710       -4.27190
H         -1.10030        3.51050       -2.65810
H         -0.42480        2.58810       -1.32170
H         -2.58170        1.79490       -3.19110
H         -1.24890        0.64560       -3.38670
C         -3.34500        1.62860       -0.30750
H         -3.78880        1.11300        0.56120
H         -2.78900        2.49830        0.08050
H         -4.15090        1.96030       -0.98640
C         -3.22460       -0.90480       -1.74940
H         -3.62650       -1.45130       -0.87940
H         -4.06390       -0.54450       -2.37060
H         -2.61410       -1.61360       -2.33400
C          3.14170       -0.64800       -1.34510
H          3.50730       -0.92120       -0.34070
H          2.67240       -1.54670       -1.77950
H          3.99590       -0.33590       -1.97230
C          2.83730        2.13820       -0.54670
H          3.24670        1.88630        0.44610
H          3.66430        2.41430       -1.22530
H          2.16230        2.99840       -0.40610
61
Zn_pp18
Zn         0.82740        0.59710        0.93500
Cl         2.72260        1.86340        1.07490
Cl        -0.78420        0.33340        2.54520
P         -0.26290        1.01590       -1.37400
P          1.51880       -1.82880        0.34070
C         -0.42290       -0.57120       -2.35360
C         -1.93860        1.77510       -1.45700
C          0.77300        2.10940       -2.43390
C         -0.00190       -2.88300        0.02080
C          2.43210       -2.69360        1.68830
C          2.62880       -2.02160       -1.12620
C         -1.43750       -1.59860       -1.80240
C         -1.28250       -2.09370       -0.34900
C          3.16330       -1.89930        2.59670
C          3.90940       -2.50600        3.61900
C          3.92760       -3.90330        3.74480
C          3.20050       -4.69880        2.84370
C          2.45730       -4.09830        1.81750
C          3.43450       -0.91630       -1.48200
C          4.33240       -1.01440       -2.55720
C          4.43520       -2.20920       -3.28590
C          3.64000       -3.31320       -2.93510
C          2.74470       -3.22230       -1.85950
C         -2.73560        1.81320       -0.29330
C         -4.02350        2.37220       -0.34600
C         -4.52180        2.88940       -1.55100
C         -3.73090        2.85100       -2.71260
C         -2.44460        2.29700       -2.66800
C          1.28720        1.73890       -3.69300
C          2.08570        2.63570       -4.42270
C          2.37920        3.90490       -3.90340
C          1.87910        4.27700       -2.64450
C          1.08990        3.38350       -1.91000
H          0.59360       -1.00430       -2.40810
H         -0.71890       -0.30860       -3.38750
H         -2.45240       -1.16730       -1.89690
H         -1.41330       -2.47110       -2.48680
H         -2.13890       -2.76900       -0.15490
H         -1.40560       -1.25760        0.36650
H         -0.18470       -3.39860        0.98120
H          0.21060       -3.66750       -0.73040
H          3.15390       -0.80600        2.50220
H          4.47130       -1.88070        4.32150
H          4.50730       -4.37520        4.54650
H          3.21360       -5.79080        2.93890
H          1.89950       -4.73020        1.11610
H          3.36170        0.02090       -0.91400
H          4.94990       -0.14930       -2.82360
H          5.13500       -2.28320       -4.12640
H          3.71990       -4.25050       -3.49800
H          2.14180       -4.09810       -1.59180
H         -2.34440        1.42370        0.65590
H         -4.63220        2.40930        0.56440
H         -5.52430        3.33150       -1.58640
H         -4.11470        3.26100       -3.65410
H         -1.82220        2.28870       -3.57110
H          1.07610        0.75040       -4.11430
H          2.47910        2.33630       -5.40110
H          3.00400        4.60140       -4.47410
H          2.11700        5.26050       -2.22450
H          0.72400        3.67430       -0.91860
59
Zn_pp19
Zn         0.62430        0.82800        0.97790
Cl         1.41310        2.44940       -0.42080
Cl         0.05830        0.84160        3.23280
P         -1.59420       -0.15410        0.05020
P          2.20570       -1.20500        1.08030
C          2.99190       -1.76670       -0.48040
C          3.58860       -1.10230        2.29750
C         -1.82880       -1.84870        0.86750
C          1.16490       -2.65880        1.70680
C         -1.71720       -0.43530       -1.76220
C         -3.13950        0.75150        0.50900
C          3.11520       -0.82700       -1.52690
C          3.73350       -1.19380       -2.73320
C          4.22480       -2.49600       -2.90770
C          4.10590       -3.43660       -1.87000
C          3.49740       -3.07390       -0.66000
C          3.27940       -0.79370        3.64230
C          4.30360       -0.71140        4.59620
C          5.64110       -0.91860        4.22180
C          5.95360       -1.20660        2.88480
C          4.93470       -1.30000        1.92430
C         -3.25070        1.25400        1.82540
C         -4.42180        1.91260        2.22910
C         -5.48400        2.09160        1.32840
C         -5.37040        1.60830        0.01510
C         -4.20610        0.94030       -0.39560
C         -0.94800        0.39920       -2.60300
C         -1.02150        0.25620       -3.99820
C         -1.85290       -0.72020       -4.56790
C         -2.62050       -1.55460       -3.73750
C         -2.55830       -1.41110       -2.34310
C         -0.94170       -2.89650        0.25390
C          0.31810       -3.23950        0.60880
H          2.73000        0.19260       -1.39500
H          3.82720       -0.45620       -3.53790
H          4.70310       -2.78100       -3.85180
H          4.49260       -4.45350       -2.00250
H          3.42760       -3.80820        0.15140
H          2.24330       -0.59010        3.93560
H          4.05270       -0.47200        5.63570
H          6.43910       -0.84690        4.96940
H          6.99620       -1.35880        2.58270
H          5.18990       -1.52270        0.88320
H         -2.41790        1.14100        2.53010
H         -4.49460        2.29900        3.25190
H         -6.39450        2.61200        1.64590
H         -6.19030        1.75300       -0.69800
H         -4.12570        0.57400       -1.42450
H         -0.28760        1.15850       -2.16360
H         -0.42140        0.91190       -4.63900
H         -1.90420       -0.83270       -5.65680
H         -3.27320       -2.31760       -4.17700
H         -3.17650       -2.05660       -1.70820
H         -1.36760       -3.41900       -0.61170
H          1.83850       -3.42070        2.13870
H          0.56540       -2.22980        2.53070
H         -2.89320       -2.13480        0.79520
H         -1.60250       -1.66520        1.93420
H          0.81030       -4.00800       -0.00050
65
Zn_pp20
Zn         0.51640        1.11150        0.20910
Cl        -0.04070        2.24540        2.12570
Cl         1.63010        2.13080       -1.51380
P          1.75330       -1.07920        0.87310
P         -1.66680       -0.03420       -0.67150
C         -3.16300        1.04310       -0.59100
C         -1.61150       -0.65840       -2.40410
C         -2.17710       -1.57870        0.31310
C          2.91970       -0.93650        2.29310
C          2.73160       -1.89210       -0.45970
C          0.54420       -2.43440        1.40950
C         -0.57440       -1.93590        2.29970
C         -2.82530       -1.08300        2.69180
C         -0.35450       -1.88690        3.69180
C         -2.58500       -1.02640        4.07030
C         -1.34200       -1.43280        4.57510
C          3.98990       -1.84070        2.47010
C         -1.83890       -1.52770        1.78770
C          4.84440       -1.71200        3.57390
C          4.64270       -0.68040        4.50630
C          3.58370        0.22320        4.33150
C          2.72310        0.10330        3.22850
C          3.40570       -1.05930       -1.38130
C          4.18470       -1.62350       -2.40240
C          4.29440       -3.01760       -2.52330
C          3.62120       -3.85200       -1.61720
C          2.84590       -3.29470       -0.58860
C         -3.26480        1.96130        0.47840
C         -4.40300        2.77460        0.59520
C         -5.43620        2.68920       -0.35070
C         -5.33200        1.78570       -1.42050
C         -4.20160        0.96460       -1.54330
C         -2.38780       -1.75530       -2.84490
C         -2.30780       -2.19230       -4.17570
C         -1.45480       -1.53990       -5.08050
C         -0.68030       -0.45190       -4.65010
C         -0.75030       -0.01260       -3.31900
H         -3.80140       -0.77470        2.29800
H          0.61570       -2.21380        4.08450
H         -3.37070       -0.67170        4.74670
H         -1.14060       -1.40030        5.65140
H         -3.26540       -1.70970        0.17890
H         -1.68080       -2.42600       -0.19270
H          0.16590       -2.87680        0.47090
H          1.12630       -3.21560        1.93070
H          4.16500       -2.63610        1.73650
H          5.67710       -2.41370        3.69990
H          5.31860       -0.57650        5.36280
H          3.42910        1.03850        5.04700
H          1.90900        0.82590        3.08880
H          3.29440        0.03020       -1.31920
H          4.69790       -0.96570       -3.11270
H          4.89890       -3.45480       -3.32620
H          3.69930       -4.94160       -1.70810
H          2.33000       -3.96300        0.10970
H         -2.44420        2.06350        1.19950
H         -4.46870        3.49050        1.42210
H         -6.31810        3.33410       -0.26190
H         -6.12930        1.72510       -2.17030
H         -4.12270        0.27170       -2.38820
H         -3.06500       -2.27050       -2.15440
H         -2.91430       -3.04370       -4.50540
H         -1.39320       -1.88260       -6.11970
H         -0.00620        0.05640       -5.34860
H         -0.12240        0.82420       -2.98680
69
Zn_pp21
Zn         1.61600        0.66760       -0.60710
Cl         0.35940        1.38970       -2.38500
Cl         3.77210        1.33700       -0.19130
P          1.62670       -1.92370       -0.55180
P          0.18690        0.91080        1.55060
C          0.55200        2.47380        2.47400
C         -1.64770        0.89060        1.40830
C          2.78970       -2.82510        0.55000
C          1.91970       -2.67170       -2.21910
C          0.57900       -0.46000        2.74010
C         -0.06300       -2.49180       -0.04450
C          1.26040       -0.15290        3.93820
C          1.59100       -1.14740        4.86810
C          1.23250       -2.47830        4.61910
C          0.56150       -2.79620        3.43200
C          0.24090       -1.81790        2.46290
C         -0.55570       -2.31080        1.28200
C         -1.86830       -2.74880        1.56900
C         -2.69750       -3.30740        0.58900
C         -2.21660       -3.45570       -0.71760
C         -0.91020       -3.05510       -1.02390
C         -2.46930        0.51760        2.49600
C         -3.86540        0.57440        2.37660
C         -4.45210        1.00060        1.17320
C         -3.63950        1.36850        0.09040
C         -2.24060        1.31580        0.20150
C         -0.43410        3.16280        3.21310
C         -0.10890        4.34530        3.89440
C          1.19900        4.85480        3.84610
C          2.18090        4.17910        3.10450
C          1.86340        2.99820        2.41450
C          2.52360       -3.93770       -2.38240
C          2.73620       -4.45990       -3.66670
C          2.35360       -3.72750       -4.80220
C          1.76150       -2.46440       -4.64630
C          1.54910       -1.93180       -3.36490
C          2.51090       -4.13200        1.00860
C          3.44880       -4.81870        1.79250
C          4.66880       -4.20700        2.12660
C          4.94700       -2.90760        1.67660
C          4.01410       -2.21310        0.88960
H          1.52520        0.88770        4.15040
H          2.11590       -0.87410        5.79060
H          1.47390       -3.26760        5.33970
H          0.27830       -3.83540        3.22970
H         -2.24080       -2.63210        2.59290
H         -3.71460       -3.62180        0.84880
H         -2.84890       -3.89190       -1.49930
H         -0.53370       -3.18840       -2.04290
H         -2.01390        0.17630        3.43340
H         -4.49650        0.28390        3.22490
H         -5.54370        1.04260        1.08070
H         -4.09160        1.69290       -0.85370
H         -1.61050        1.58580       -0.65550
H         -1.45980        2.78130        3.25060
H         -0.88490        4.87210        4.46190
H          1.44860        5.78060        4.37690
H          3.20110        4.57490        3.04760
H          2.63520        2.49290        1.81980
H          2.83910       -4.51390       -1.50630
H          3.20880       -5.44290       -3.77820
H          2.52620       -4.13640       -5.80440
H          1.47030       -1.87770       -5.52480
H          1.09870       -0.93630       -3.25940
H          1.55550       -4.60730        0.75610
H          3.22560       -5.83290        2.14450
H          5.39970       -4.74380        2.74260
H          5.89410       -2.42390        1.94100
H          4.22880       -1.19150        0.55020
81
Zn_pp22
Zn         0.40070       -0.10820        2.94340
Cl        -1.23150        0.66150        4.36260
Cl         2.19040       -1.34950        3.66560
P          1.22090        1.95050        1.61090
P         -0.54800       -1.30400        0.82830
C          0.46100       -2.52880       -0.10280
C         -2.06910       -2.24810        1.30370
C         -1.12810       -0.04330       -0.41790
C          2.56470        2.85290        2.51710
C          0.04430        3.27860        1.13890
C          2.00370        1.28900        0.06050
C         -2.53690        0.09670       -0.61340
C         -3.05610        1.03320       -1.48530
C         -2.19840        1.88630       -2.22920
C         -0.77240        1.77340       -2.04170
C         -0.23730        0.80750       -1.10500
C          1.26530        0.71720       -0.99750
C          1.97800        0.12270       -2.10910
C          3.41950        0.08490       -2.10610
C          4.11710        0.64220       -1.00070
C          3.43160        1.22540        0.04590
C         -2.92990       -1.67640        2.26920
C         -4.08710       -2.35690        2.67500
C         -4.39150       -3.61800        2.13990
C         -3.53030       -4.19950        1.19680
C         -2.37480       -3.52160        0.77890
C          1.57530       -3.11560        0.53210
C          2.30540       -4.11880       -0.12570
C          1.93390       -4.54340       -1.41050
C          0.82840       -3.95520       -2.04800
C          0.09450       -2.95090       -1.40040
C         -1.09950        3.46950        1.94340
C         -1.97510        4.53260        1.67230
C         -1.72100        5.40670        0.60440
C         -0.58610        5.21770       -0.20090
C          0.29600        4.16050        0.06520
C          2.79930        4.23410        2.33940
C          3.80980        4.88040        3.06600
C          4.59470        4.16140        3.98280
C          4.36090        2.79070        4.17090
C          3.34810        2.13680        3.45030
C         -2.71740        2.83030       -3.16320
C          0.06910        2.62920       -2.82130
C          1.30540       -0.42260       -3.24780
C          4.11700       -0.48790       -3.21080
C         -1.87080        3.63510       -3.90630
C         -0.46560        3.52810       -3.73200
C          2.01100       -0.96320       -4.31200
C          3.43050       -1.00190       -4.29840
H         -3.21770       -0.55930       -0.06400
H         -4.14110        1.11560       -1.62280
H          5.21340        0.61500       -0.99320
H          3.99090        1.65830        0.88040
H         -2.68630       -0.71070        2.72890
H         -4.74040       -1.90160        3.42800
H         -5.29100       -4.15260        2.46680
H         -3.75370       -5.19020        0.78390
H         -1.70750       -3.99170        0.04980
H          1.87120       -2.78730        1.53680
H          3.17040       -4.56820        0.37520
H          2.50660       -5.32730       -1.91920
H          0.53670       -4.27730       -3.05440
H         -0.76680       -2.49350       -1.90170
H         -1.30320        2.78630        2.77800
H         -2.86210        4.67310        2.30050
H         -2.40980        6.23350        0.39440
H         -0.38930        5.88930       -1.04430
H          1.17400        4.00980       -0.57260
H          2.17810        4.81390        1.64920
H          3.97650        5.95430        2.92100
H          5.38020        4.67070        4.55260
H          4.95930        2.22070        4.89040
H          3.17970        1.06330        3.60660
H         -3.80500        2.89940       -3.28590
H          1.15410        2.56050       -2.70600
H          0.21250       -0.40530       -3.27820
H          5.21340       -0.50730       -3.18060
H         -2.28050        4.35040       -4.62870
H          0.20420        4.16250       -4.32440
H          1.46530       -1.36820       -5.17230
H          3.97620       -1.43360       -5.14490
61
Zn_pp23
Zn        -1.48210       -0.63200        0.00000
Cl        -1.58310       -2.91610        0.00000
Cl        -3.26030        0.79840        0.00000
P          0.15210        0.13900        1.87250
P          0.15210        0.13900       -1.87250
C          2.14640       -1.19080       -0.70750
C         -0.02110       -0.72020       -3.48510
C          0.20260        1.91500       -2.29770
C          0.20260        1.91500        2.29770
C         -0.02110       -0.72020        3.48510
C          2.14640       -1.19080        0.70750
C          2.59580       -2.32310       -1.40340
C          2.59580       -2.32310        1.40340
C          3.03590       -3.45420       -0.70150
C          3.03590       -3.45420        0.70150
O          1.78050       -0.04700       -1.41740
O          1.78050       -0.04700        1.41740
C          0.43670       -0.16260        4.70080
C          0.26630       -0.86460        5.90090
C         -0.36580       -2.12080        5.89970
C         -0.82410       -2.67820        4.69630
C         -0.65520       -1.98350        3.48880
C         -1.02310        2.60740        2.39880
C         -1.02710        3.96200        2.76400
C          0.18130        4.63020        3.01680
C          1.40200        3.94500        2.89970
C          1.41830        2.58910        2.54160
C         -1.02310        2.60740       -2.39880
C         -1.02710        3.96200       -2.76400
C          0.18130        4.63020       -3.01680
C          1.40200        3.94500       -2.89970
C          1.41830        2.58910       -2.54160
C          0.43670       -0.16260       -4.70080
C          0.26630       -0.86460       -5.90090
C         -0.36580       -2.12080       -5.89970
C         -0.82410       -2.67820       -4.69630
C         -0.65520       -1.98350       -3.48880
H          2.59410       -2.29680       -2.49760
H          2.59410       -2.29680        2.49760
H          3.37730       -4.33580       -1.25460
H          3.37730       -4.33580        1.25460
H          0.90970        0.82580        4.70580
H          0.61740       -0.42710        6.84260
H         -0.50560       -2.66240        6.84270
H         -1.32040       -3.65490        4.69300
H         -1.01670       -2.42300        2.54970
H         -1.96710        2.09900        2.16720
H         -1.97990        4.49770        2.83800
H          0.17360        5.69040        3.29500
H          2.34700        4.46850        3.08520
H          2.36790        2.05480        2.43580
H         -1.96710        2.09900       -2.16720
H         -1.97990        4.49770       -2.83800
H          0.17360        5.69040       -3.29500
H          2.34700        4.46850       -3.08520
H          2.36790        2.05480       -2.43580
H          0.90970        0.82580       -4.70580
H          0.61740       -0.42710       -6.84260
H         -0.50560       -2.66240       -6.84270
H         -1.32040       -3.65490       -4.69300
H         -1.01670       -2.42300       -2.54970
70
Zn_pp24
Zn        -0.05760       -0.75260       -0.53960
Cl         0.31780       -2.11920        1.25440
Cl         0.86850       -0.96710       -2.62560
P         -2.61120       -0.81360       -0.95490
P          0.51780        1.66890        0.23580
C          2.29790        1.79180        0.70480
C         -3.50810       -0.86280        0.65140
C          0.31980        2.92640       -1.10700
C         -3.12900       -2.35060       -1.82180
C         -3.34490        0.55610       -1.93290
C         -0.38160        2.43140        1.66510
C          0.19720        3.46630        2.42830
C         -0.54050        4.15000        3.40570
C         -1.89300        3.83070        3.60410
C         -2.49080        2.79730        2.86830
C         -3.51910       -0.08340        2.97840
C         -4.40270       -1.12380        3.30670
C         -1.72380        2.07100        1.93830
C         -4.86430       -2.01240        2.32580
C         -4.39660       -1.89300        1.00880
C         -3.10810        0.06490        1.64600
O         -2.25440        1.05220        1.16460
C          3.11040        2.88460        0.33330
C          4.46420        2.91340        0.70360
C          5.01750        1.85570        1.44330
C          4.21320        0.76350        1.80840
C          2.86000        0.72360        1.43940
C          0.88990        2.62370       -2.36540
C          0.79170        3.54180       -3.42060
C          0.11440        4.75930       -3.24150
C         -0.46620        5.05690       -1.99940
C         -0.36250        4.14850       -0.93350
C         -2.38960       -3.52830       -1.57200
C         -2.73910       -4.72490       -2.21480
C         -3.81580       -4.75390       -3.11600
C         -4.54780       -3.58370       -3.37320
C         -4.20730       -2.38380       -2.73070
C         -4.58230        1.14690       -1.60460
C         -5.09930        2.18270       -2.39820
C         -4.38650        2.63250       -3.52100
C         -3.15150        2.04870       -3.84870
C         -2.62570        1.01650       -3.05810
H          1.24220        3.73920        2.24290
H         -0.06690        4.94540        3.99120
H         -2.49330        4.38830        4.33150
H         -3.55200        2.56780        2.99660
H         -3.13680        0.57650        3.75990
H         -4.72090       -1.23890        4.34890
H         -5.56010       -2.81600        2.58950
H         -4.70010       -2.62080        0.24890
H          2.68800        3.70490       -0.25750
H          5.08930        3.76330        0.40520
H          6.07680        1.87710        1.72370
H          4.64190       -0.07310        2.37130
H          2.24470       -0.14600        1.70580
H          1.39240        1.66220       -2.52490
H          1.24160        3.29730       -4.38970
H          0.03690        5.47330       -4.06990
H         -1.00150        6.00250       -1.85370
H         -0.81460        4.39560        0.03220
H         -1.54280       -3.50920       -0.87400
H         -2.15870       -5.63330       -2.01860
H         -4.08020       -5.68800       -3.62490
H         -5.38450       -3.60190       -4.08130
H         -4.77440       -1.47000       -2.94040
H         -5.13960        0.79470       -0.72880
H         -6.06250        2.63780       -2.13890
H         -4.79240        3.44170       -4.13940
H         -2.58730        2.40390       -4.71800
H         -1.65530        0.56880       -3.30840
77
Zn_pp25
Zn        -0.25830       -0.73560       -0.96950
Cl         0.33580       -2.25020        0.64460
Cl         0.55640       -0.67510       -3.12260
P         -2.82420       -0.92350       -1.24980
P          0.26100        1.59440       -0.00000
C          2.08240        1.82390        0.13090
C         -0.32670        3.04020       -0.97820
C         -3.26430       -2.55160       -1.99000
C         -3.60710        0.32010       -2.36050
C         -3.79650       -0.85780        0.31350
C         -0.37280        1.88060        1.70620
C          0.42760        2.38330        2.74960
C         -0.09360        2.50670        4.04470
C         -1.70230        1.51580        2.00790
C         -1.42360        2.14780        4.31040
C         -2.26280        1.65720        3.29240
C         -4.11660        0.19040        2.53490
C         -5.11330       -0.76490        2.80410
C         -5.46150       -1.73990        1.85830
C         -4.81270       -1.78340        0.61780
C         -3.46670        0.10870        1.28820
O         -2.45240        1.00050        0.95590
C          2.71080        3.06200       -0.11790
C          4.10670        3.17010       -0.02740
C          4.88080        2.04910        0.31250
C          4.25810        0.81550        0.56150
C          2.86400        0.69630        0.46760
C         -0.19090        2.98280       -2.38300
C         -0.59290        4.07260       -3.16860
C         -1.14090        5.21690       -2.56710
C         -1.28590        5.27270       -1.17210
C         -0.87810        4.19030       -0.37720
C         -2.48690       -3.67250       -1.62210
C         -2.77660       -4.93230       -2.16660
C         -3.82940       -5.08190       -3.08380
C         -4.59850       -3.96790       -3.45720
C         -4.31980       -2.70470       -2.91370
C         -4.81400        0.97520       -2.04200
C         -5.37390        1.89500       -2.94210
C         -4.73850        2.16150       -4.16490
C         -3.53460        1.51250       -4.48380
C         -2.96230        0.60010       -3.58620
C         -3.75720        1.35020        3.47530
C         -4.10670        1.03060        4.94290
C         -4.56830        2.60620        3.02570
H          1.46690        2.65920        2.54240
H          0.54040        2.88690        4.85320
H         -1.81260        2.26100        5.32710
H         -5.63540       -0.74660        3.76600
H         -6.24330       -2.47110        2.09110
H         -5.07720       -2.55030       -0.11770
H          2.10990        3.93470       -0.39610
H          4.59080        4.13280       -0.22910
H          5.97170        2.13560        0.37570
H          4.85850       -0.06460        0.81750
H          2.38260       -0.27310        0.65280
H          0.21790        2.08120       -2.85770
H         -0.48370        4.02150       -4.25790
H         -1.45890        6.06410       -3.18600
H         -1.71610        6.16280       -0.69810
H         -0.98570        4.24040        0.71200
H         -2.16670       -5.79650       -1.88070
H         -4.04610       -6.06630       -3.51480
H         -5.41620       -4.08020       -4.17880
H         -4.91260       -1.83470       -3.21670
H         -5.31920        0.76150       -1.09350
H         -6.31210        2.40160       -2.68700
H         -5.17960        2.87780       -4.86790
H         -3.03100        1.72140       -5.43460
H         -2.00850        0.11340       -3.82810
H         -3.54900        0.15320        5.31370
H         -5.18640        0.83240        5.05480
H         -3.88030        1.89130        5.59490
H         -4.34820        2.87110        1.97720
H         -4.31350        3.47350        3.66150
H         -5.65310        2.41210        3.11210
H         -1.65510       -3.55840       -0.91450
75
Zn_pp26
Zn        -0.10420        0.82520       -0.31940
Cl        -2.16080        0.16560       -1.10160
Cl         1.17870        2.42240       -1.36220
P          1.12410       -1.41020       -0.52330
P         -0.43520        1.69270        2.11120
C          1.05670        2.41880        2.91320
C         -1.70460        3.03080        2.18070
C          2.88290       -1.45380        0.03400
C          1.13620       -1.93910       -2.29170
C         -1.04340        0.44060        3.40110
C          0.17930       -2.82340        0.32460
C         -2.08490       -0.53370        2.87740
C         -3.41950       -0.09810        2.72140
C         -4.41730       -0.94210        2.21710
C         -4.09820       -2.25980        1.85990
C         -2.78460       -2.71730        2.03060
C         -1.76430       -1.87810        2.53880
C         -0.41980       -2.49020        2.81720
C         -0.05320       -2.67210        4.17340
C          1.12690       -3.32750        4.53760
C          1.97000       -3.83350        3.53850
C          1.63210       -3.65680        2.19380
C          0.45270       -2.97980        1.80450
C         -1.68270        4.03860        3.16680
C         -2.70120        5.00190        3.21040
C         -3.74340        4.97260        2.26800
C         -3.76100        3.97720        1.27920
C         -2.74380        3.01150        1.22420
C          2.04200        3.00620        2.08740
C          3.18300        3.59110        2.65960
C          3.36400        3.58170        4.05150
C          2.39590        2.98120        4.87500
C          1.24850        2.40380        4.31240
C          0.90540       -0.97150       -3.29280
C          0.91100       -1.34210       -4.64710
C          1.14610       -2.67460       -5.01910
C          1.38790       -3.64090       -4.02820
C          1.38420       -3.27670       -2.67390
C          3.92730       -2.05200       -0.70350
C          5.25110       -1.98380       -0.24070
C          5.55060       -1.31370        0.95680
C          4.51830       -0.71000        1.69340
C          3.19480       -0.77540        1.23360
H         -0.13560       -0.07420        3.76110
H         -1.46760        1.02050        4.24210
H         -0.87760       -2.58460        0.11370
H          0.43220       -3.76350       -0.19350
H         -3.67580        0.93380        2.98700
H         -5.44090       -0.56910        2.10240
H         -4.86780       -2.93320        1.46690
H         -2.53590       -3.75800        1.79110
H         -0.73390       -2.30420        4.95040
H          1.37840       -3.45610        5.59690
H          2.89140       -4.36380        3.80430
H          2.29840       -4.04960        1.41700
H         -0.86170        4.07940        3.89180
H         -2.67610        5.78310        3.97890
H         -4.53890        5.72550        2.30580
H         -4.56370        3.95370        0.53340
H         -2.76850        2.23700        0.44640
H          1.91410        3.00880        0.99790
H          3.93420        4.05070        2.00760
H          4.25710        4.03720        4.49440
H          2.53280        2.96150        5.96250
H          0.50910        1.93000        4.96880
H          0.72050        0.07310       -3.01650
H          0.72330       -0.58100       -5.41250
H          1.14390       -2.95980       -6.07720
H          1.57630       -4.68410       -4.30730
H          1.57580       -4.04750       -1.91820
H          3.70970       -2.55610       -1.65120
H          6.05350       -2.44720       -0.82640
H          6.58660       -1.25270        1.30900
H          4.74190       -0.17390        2.62230
H          2.40000       -0.28790        1.81090
71
Zn_pp27
Zn         0.45850        1.61070       -0.80910
Cl        -1.14500        1.90700       -2.38050
Cl         2.51160        2.56990       -0.64970
P          0.75680       -0.94230       -0.62960
P         -0.64120        1.85830        1.55870
C          0.13750        2.99900        2.76540
C         -2.37900        2.41860        1.37650
C          2.29470       -1.46800        0.22410
C          0.74470       -1.81570       -2.24330
O         -0.64400        0.36350        2.37860
O         -0.55070       -1.59550        0.24040
C         -2.61260        0.59950        3.78870
C         -3.73520        0.05380        4.42170
C         -1.74480       -0.20260        3.02210
C         -3.99780       -1.31570        4.29000
C         -3.10320       -2.11650        3.57360
C         -1.93910       -1.60760        2.94000
C         -1.00360       -2.64100        2.38700
C         -0.77850       -3.76800        3.22200
C         -0.04870       -4.88850        2.81450
C          0.47830       -4.92930        1.51650
C          0.29890       -3.82810        0.67250
C         -0.40280       -2.68560        1.10290
C         -2.85160        3.62560        1.93460
C         -4.16460        4.04860        1.68060
C         -5.01630        3.26930        0.88070
C         -4.54770        2.07040        0.31880
C         -3.23040        1.65150        0.54900
C          0.71720        4.18440        2.26060
C          1.33740        5.08930        3.13500
C          1.41100        4.80750        4.50880
C          0.86950        3.61160        5.00780
C          0.23760        2.70610        4.14230
C          1.72620       -1.47000       -3.19990
C          1.70150       -2.05600       -4.47380
C          0.69220       -2.97310       -4.81180
C         -0.30200       -3.29280       -3.87370
C         -0.28380       -2.71250       -2.59570
C          3.23230       -2.36590       -0.32700
C          4.41270       -2.66430        0.36820
C          4.66050       -2.08180        1.62110
C          3.72850       -1.19150        2.17750
C          2.55570       -0.87570        1.48020
H         -2.40540        1.66770        3.88350
H         -4.39960        0.70300        5.00230
H         -4.88640       -1.76380        4.74830
H         -3.30350       -3.18940        3.48150
H         -1.18850       -3.73910        4.23720
H          0.10140       -5.72380        3.50740
H          1.03320       -5.80410        1.15990
H          0.69930       -3.84950       -0.34470
H         -2.19350        4.23330        2.56530
H         -4.52350        4.99000        2.11210
H         -6.04160        3.60240        0.68420
H         -5.20200        1.46710       -0.31990
H         -2.86400        0.73070        0.08280
H          0.70600        4.39080        1.18390
H          1.78270        6.00670        2.73470
H          1.90480        5.51170        5.18770
H          0.94230        3.37830        6.07630
H         -0.16500        1.76650        4.53430
H          2.50840       -0.74140       -2.95300
H          2.47150       -1.78860       -5.20610
H          0.67420       -3.42700       -5.80880
H         -1.10190       -3.99420       -4.13700
H         -1.06950       -2.95040       -1.87090
H          3.04290       -2.82730       -1.30220
H          5.13920       -3.35880       -0.06900
H          5.58390       -2.31790        2.16240
H          3.92060       -0.72990        3.15240
H          1.83560       -0.17670        1.91860
83
Zn_pp28
Zn        -0.33160       -0.53340       -3.90930
Cl         0.09240        1.57130       -4.63110
Cl         0.09330       -2.47250       -5.04220
P         -2.72890       -0.52080       -2.84990
P          0.74400       -1.26870       -1.56050
C          0.31600       -2.92490       -0.88290
C          2.58080       -1.35880       -1.65410
C         -3.88490       -1.92650       -3.09880
C         -3.80430        0.95220       -2.76870
O          0.47340       -0.35980       -0.15730
O         -2.08390       -0.76730       -1.30560
C          1.20560        1.84800       -0.82160
C          0.18410        0.99830       -0.32110
C          0.97640        3.20450       -0.93920
C         -0.28250        3.76250       -0.57960
C         -1.32440        2.89610       -0.08030
C         -1.06460        1.48290        0.08170
C         -2.09890        0.57750        0.67250
C         -2.56090        0.76080        2.02750
C         -3.61160       -0.08590        2.54520
C         -4.15130       -1.11310        1.71970
C         -3.66690       -1.32220        0.44180
C         -2.64630       -0.47640       -0.06700
C          3.38390       -1.30010       -0.49500
C          4.77780       -1.38730       -0.60720
C          5.37590       -1.54390       -1.87030
C          4.57920       -1.60750       -3.02310
C          3.18240       -1.50770       -2.92060
C          0.46010       -4.05060       -1.72260
C          0.16820       -5.33060       -1.22720
C         -0.26920       -5.49550        0.09730
C         -0.42090       -4.37400        0.92760
C         -0.13230       -3.08880        0.44330
C         -3.37300        2.12390       -3.42920
C         -4.17360        3.27620       -3.39970
C         -5.39430        3.27070       -2.70860
C         -5.82210        2.11140       -2.03790
C         -5.03540        0.95260       -2.06880
C         -3.48140       -3.21340       -2.67480
C         -4.28930       -4.32680       -2.94230
C         -5.48970       -4.17520       -3.65640
C         -5.88010       -2.90470       -4.10560
C         -5.08290       -1.78280       -3.83140
C         -0.53520        5.15910       -0.71720
C         -2.59570        3.48010        0.20820
C         -1.99740        1.74240        2.90060
C         -4.07240        0.10670        3.88110
C         -1.77160        5.69500       -0.39850
C         -2.81120        4.84140        0.05610
C         -2.46230        1.89520        4.19800
C         -3.51400        1.07920        4.69380
H          2.17060        1.41130       -1.09590
H          1.76170        3.86430       -1.32420
H         -4.94170       -1.75750        2.12370
H         -4.03940       -2.13760       -0.18540
H          2.91310       -1.17490        0.48650
H          5.40100       -1.33650        0.29320
H          6.46670       -1.61350       -1.95350
H          5.04160       -1.72520       -4.00940
H          2.56240       -1.56250       -3.82470
H          0.78060       -3.92500       -2.76390
H          0.28110       -6.20070       -1.88410
H         -0.49520       -6.49740        0.48080
H         -0.76930       -4.49600        1.95990
H         -0.25890       -2.21350        1.08660
H         -2.41040        2.13400       -3.95690
H         -3.83620        4.18130       -3.91580
H         -6.01660        4.17300       -2.68840
H         -6.77380        2.10860       -1.49370
H         -5.37780        0.04800       -1.55540
H         -2.53860       -3.34260       -2.13100
H         -3.97290       -5.31810       -2.59920
H         -6.11560       -5.04890       -3.87020
H         -6.81180       -2.78130       -4.66940
H         -5.39950       -0.79490       -4.18220
H          0.27190        5.79980       -1.09260
H         -3.41270        2.83640        0.54470
H         -1.18250        2.37260        2.53470
H         -4.87420       -0.54140        4.25670
H         -1.95370        6.77020       -0.50860
H         -3.79790        5.26080        0.28500
H         -2.00990        2.65150        4.84980
H         -3.87380        1.21450        5.72020
