     40
Step 1
  Cu      1.4476100     15.3107550      2.4064040
  Cl     -0.3190160     15.2837610      1.1230830
  N       3.1609240     14.0724140      4.5783060
  N       3.2101480     16.3192770      2.6496090
  N       2.0438350     13.8633300      3.8489180
  C       2.5669450     18.7168630      5.4693180
  H       1.8978930     18.7516130      4.6128720
  H       2.9328340     19.6657270      5.8500770
  N       4.0537050     16.1059700      3.6809470
  C       2.9258270     11.8996640      4.4806590
  H       3.0726390     10.8368080      4.6077780
  C       4.9646190     12.8267810      5.8093470
  H       5.8253430     13.2780130      5.3028100
  H       5.2081080     11.7800680      5.9992990
  H       4.8474300     13.3183970      6.7819320
  C       1.8881100     12.5443270      3.7735240
  C       3.8818550     17.0399370      1.7541630
  C       2.9132040     17.5602110      6.0298370
  H       3.5835070     17.5620980      6.8912430
  C       2.4443140     16.2210330      5.5504280
  H       1.6181180     16.3272190      4.8400880
  H       2.0795810     15.6108680      6.3853810
  C       3.2481050     17.4335670      0.4656400
  H       3.7917250     17.0059300     -0.3827370
  H       3.2508770     18.5214800      0.3456570
  H       2.2145960     17.0754460      0.4279710
  C       5.1784590     17.3073330      2.2372600
  H       5.9591710     17.8708700      1.7474430
  C       6.3704050     16.6769760      4.4639870
  H       6.0984290     17.1873280      5.3945780
  H       7.2372930     17.1911900      4.0456290
  H       6.6815220     15.6562600      4.7130860
  C       3.5712090     15.4278290      4.8708360
  H       4.4267070     15.3552850      5.5458840
  C       5.2571620     16.7039940      3.4756090
  C       0.7445090     11.9549240      3.0231710
  H       0.2109720     12.7345600      2.4707600
  H       0.0426790     11.4644350      3.7059000
  H       1.0947660     11.2006820      2.3121420
  C       3.7273630     12.9025150      4.9840280
     64
Step 2
  Cu      4.2876150      6.8725510      4.7128560
  N       2.8174610      5.4472010      4.5327240
  C       2.9067200      9.5868490      4.0667070
  N       1.5106470      5.7150280      4.7360010
  N       1.5255760      8.1089030      4.7835260
  C       1.1300880      6.9027430      5.4816540
  H       0.0380610      6.9086870      5.5104980
  C       0.7151970      4.7171890      4.2658140
  C      -0.7701430      4.7252110      4.3758380
  H      -1.1078080      4.7410330      5.4183570
  H      -1.1704920      3.8208810      3.9144870
  H      -1.2184750      5.5830200      3.8622030
  C       1.6062260     10.0419860      3.7616620
  H       1.3314950     10.9593190      3.2612700
  C       1.6764240      6.8644060      6.9081930
  H       1.3450850      5.9195780      7.3559030
  H       2.7711890      6.8276660      6.8610830
  C       0.7418700      9.0753440      4.2322090
  C       2.8705010      4.2729420      3.9080850
  C       1.2249220      8.0475770      7.7558920
  H       0.1266340      8.1089980      7.7466310
  H       1.5938890      8.9723900      7.2964050
  C      -0.7458460      9.0157140      4.2011000
  H      -1.1119160      8.1449610      3.6456060
  H      -1.1319820      9.9074400      3.7043420
  H      -1.1803990      8.9838450      5.2066390
  B       1.1018850      6.8429460     10.1457290
  N       2.8370520      8.4152630      4.6936580
  C       1.7204200      7.9347400      9.1976440
  H       1.5361510      8.8855450      9.7286530
  H       2.8180510      7.8510790      9.2159310
  C       4.1782280      3.6839750      3.5079250
  H       4.3284450      2.7083030      3.9808760
  H       4.9967160      4.3485640      3.8012400
  H       4.2241120      3.5370640      2.4243150
  C       4.2243910     10.2214080      3.7846540
  H       4.3429110     11.1451390      4.3607060
  H       4.3115810     10.4799030      2.7250330
  H       5.0381150      9.5373600      4.0447960
  C       1.5648820      3.7743880      3.7238600
  H       1.2761220      2.8455820      3.2536780
  C       0.5803700      6.9882410     12.6033740
  H       0.4901550      8.0836760     12.5661760
  H       0.9101980      6.7538590     13.6252530
  C       1.6727660      6.5721320     11.5889760
  H       2.5671680      7.1721690     11.8061010
  C      -0.1739680      5.9565260      9.8705780
  H      -0.6024230      6.1080180      8.8691330
  C      -0.8059710      6.3769030     12.3623140
  H      -1.5445570      6.9228780     12.9626900
  H      -0.8307100      5.3513200     12.7396160
  C      -1.2504200      6.3976590     10.8942480
  H      -2.1504950      5.7775700     10.7762890
  H      -1.5595520      7.4213450     10.6365950
  C       2.0863710      5.0832430     11.6577820
  H       2.4446410      4.8413690     12.6681350
  H       2.9535080      4.9447260     10.9960390
  C       0.9968420      4.0832780     11.2514610
  H       1.4564640      3.0979110     11.1047530
  H       0.2897070      3.9505630     12.0746360
  C       0.2399550      4.4691160      9.9738640
  H      -0.6455820      3.8266330      9.8656350
  H       0.8811630      4.2377730      9.1102190
  Cl      6.4656440      7.0366340      4.6380450
     51
Step 3
  Cu      4.3075120      6.7677890      4.6894570
  N       2.7827820      5.3231650      4.5951430
  C       2.9970810      9.5632810      4.1185350
  N       1.4974050      5.6967320      4.7851980
  N       1.6080390      8.0962680      4.8405490
  C       1.1867470      6.8953600      5.5367710
  H       0.0983760      6.9479750      5.5889010
  C       0.6264860      4.7635620      4.3112200
  C      -0.8540980      4.8917880      4.4032520
  H      -1.2027620      4.9353190      5.4409820
  H      -1.3205300      4.0222630      3.9377690
  H      -1.2234950      5.7815560      3.8819930
  C       1.7071330     10.1122550      3.9916440
  H       1.4415180     11.0851500      3.6046980
  C       1.7433270      6.8350770      6.9663930
  H       1.3417540      5.9314840      7.4374330
  H       2.8319210      6.7207030      6.9065210
  C       0.8366210      9.1540070      4.4681330
  C       2.7383860      4.1446990      3.9771100
  C       1.3776530      8.0551360      7.7557580
  H       1.8556830      8.9860970      7.4520070
  N       5.5434300      6.6820320      6.3170320
  C      -0.6447200      9.1866210      4.6130170
  H      -1.1333590      8.3913890      4.0395810
  H      -1.0230800     10.1393900      4.2396420
  H      -0.9513460      9.0936520      5.6606850
  N       2.9230530      8.3432980      4.6473580
  C       0.5216540      8.0579090      8.7760920
  H       0.2900590      8.9678620      9.3210380
  H       0.0325940      7.1470420      9.1148650
  C       3.9854330      3.4304900      3.5877310
  H       4.0049860      2.4216310      4.0104100
  H       4.8630050      3.9749790      3.9438500
  H       4.0573870      3.3316450      2.4999330
  C       4.3075350     10.1621990      3.7434340
  H       4.4412870     11.1385580      4.2183510
  H       4.3742900     10.3124120      2.6611580
  H       5.1268670      9.5085280      4.0517710
  C       1.4005750      3.7524920      3.7819510
  H       1.0420360      2.8460810      3.3164580
  N       5.5241060      6.7281150      3.0302410
  C       6.1782550      6.7056580      2.0763010
  C       6.2391660      6.6310960      7.2402510
  C       6.9984020      6.6782100      0.8802560
  H       7.7978910      7.4195430      0.9590250
  H       7.4436420      5.6875800      0.7559880
  H       6.3862980      6.9057460      0.0036100
  C       7.1102890      6.5673130      8.3981280
  H       6.5562980      6.8519900      9.2964940
  H       7.4914830      5.5503510      8.5222710
  H       7.9532240      7.2511130      8.2685660
     90
Step 4
  Cu      6.4227120      0.3190010      2.5025930
  N       8.0369480     -0.8994530      2.9464310
  N       8.9054260      1.3650660      1.1827830
  N       9.2098560     -0.7412410      2.2868060
  C       8.5425590     -0.1991820     -1.4212620
  H       9.1759450     -0.7881850     -2.0840420
  C       9.2491340     -0.0325330      1.0245500
  H      10.2890170     -0.0541770      0.6946410
  N       7.6430360      1.7218740      1.5240670
  C       8.1521350      1.0358440     -1.8453340
  H       7.6418230      1.7378120     -1.1899280
  H       8.4838890      1.4179660     -2.8072160
  C       8.3607350     -0.7329110     -0.0223110
  H       7.3224060     -0.6463860      0.3081360
  H       8.6060670     -1.7983330      0.0076280
  C       7.6258950      3.0560790      1.5305700
  N       5.7928270      1.2344820      4.3459330
  C      10.2239420     -1.4161800      2.8975830
  C       9.6918200      2.4531740      0.9564100
  C       8.3051620     -1.6696770      4.0007330
  C       6.3969550      3.8141160      1.8931920
  H       6.1093410      4.5021090      1.0926020
  H       6.5630430      4.4152270      2.7923260
  H       5.5676750      3.1308770      2.0903500
  C       9.6677770     -2.0196530      4.0051230
  H      10.1841240     -2.6335890      4.7285170
  C       8.8905330      3.5558060      1.1711950
  H       9.1873380      4.5909510      1.0854230
  C       7.2485130     -2.0570730      4.9748580
  H       7.5629770     -1.8324940      5.9979800
  H       7.0479940     -3.1320110      4.9252650
  H       6.3200650     -1.5186990      4.7732830
  C       5.5596160      1.7001070      5.3795210
  C      11.1220320      2.3728610      0.5522630
  H      11.7345800      1.8720630      1.3094640
  H      11.5190250      3.3812930      0.4277890
  H      11.2524460      1.8470700     -0.3996620
  C      11.6241430     -1.4425120      2.3926670
  H      11.6986220     -1.8885300      1.3947810
  H      12.2371810     -2.0449310      3.0644480
  H      12.0679000     -0.4418780      2.3555600
  C       5.2700530      2.2819340      6.6759450
  H       4.5992510      3.1374530      6.5607690
  H       6.1975350      2.6168710      7.1480570
  H       4.7909670      1.5390080      7.3192690
  Cu      6.5793150     -0.3189720     -2.5025950
  N       4.9650720      0.8994760     -2.9464370
  N       4.0966150     -1.3650540     -1.1827750
  N       3.7921640      0.7412490     -2.2868150
  C       4.4594680      0.1992140      1.4212510
  H       3.8260760      0.7882210      2.0840220
  C       3.7528960      0.0325450     -1.0245570
  H       2.7130150      0.0541830     -0.6946400
  N       5.3590050     -1.7218520     -1.5240700
  C       4.8498930     -1.0358070      1.8453370
  H       5.3602140     -1.7377790      1.1899400
  H       4.5181300     -1.4179230      2.8072190
  C       4.6412930      0.7329340      0.0222970
  H       5.6796230      0.6464140     -0.3081500
  H       4.3959540      1.7983540     -0.0076490
  C       5.3761460     -3.0560570     -1.5305920
  N       7.2092090     -1.2344320     -4.3459480
  C       2.7780700      1.4161750     -2.8975950
  C       3.3102440     -2.4531660     -0.9563440
  C       4.6968470      1.6696820     -4.0007480
  C       6.6050750     -3.8140870     -1.8932670
  H       6.8927780     -4.5020120     -1.0926500
  H       6.4389270     -4.4152710     -2.7923410
  H       7.4343190     -3.1308390     -2.0905480
  C       3.3342290      2.0196500     -4.0051360
  H       2.8178750      2.6335770     -4.7285330
  C       4.1115230     -3.5557930     -1.1711790
  H       3.8147230     -4.5909390     -1.0854090
  C       5.7534920      2.0570840     -4.9748740
  H       5.4389940      1.8325810     -5.9980020
  H       5.9540640      3.1320100     -4.9252210
  H       6.6819190      1.5186550     -4.7733500
  C       7.4423280     -1.7001440     -5.3795180
  C       1.8800490     -2.3728610     -0.5521350
  H       1.2674680     -1.8720630     -1.3093080
  H       1.4830660     -3.3812960     -0.4276480
  H       1.7496730     -1.8470750      0.3997980
  C       1.3778680      1.4424940     -2.3926790
  H       1.3033850      1.8885120     -1.3947930
  H       0.7648250      2.0449080     -3.0644600
  H       0.9341200      0.4418560     -2.3555720
  C       7.7316920     -2.2820480     -6.6759520
  H       8.4030230     -3.1371660     -6.5608880
  H       6.8042130     -2.6175940     -7.1476380
  H       8.2101010     -1.5389660     -7.3195990
     75
Step 5
  Cu      4.2654400      6.8250050      4.6858570
  N       2.7988600      5.3327890      4.5297320
  C       2.8606900      9.5579030      4.0753330
  N       1.4983600      5.6335930      4.7389000
  N       1.5205900      8.0337500      4.7713840
  C       1.1336940      6.8280230      5.4799110
  H       0.0423220      6.8395660      5.5107680
  C       0.6759170      4.6437980      4.2972750
  C      -0.8073910      4.6832260      4.4222780
  H      -1.1330960      4.7272600      5.4675070
  H      -1.2297800      3.7769790      3.9856290
  H      -1.2441170      5.5370650      3.8929680
  C       1.5509380     10.0158040      3.8398240
  H       1.2514940     10.9535370      3.3950310
  C       1.6715720      6.7973200      6.9098090
  H       1.3164520      5.8648060      7.3655500
  H       2.7651980      6.7385960      6.8756230
  C       0.7123000      9.0208530      4.2980240
  C       2.8133200      4.1442290      3.9294720
  C       1.2335590      7.9967650      7.7424570
  H       0.1371420      8.0733910      7.7279760
  H       1.6171370      8.9132290      7.2773810
  N       5.5032330      6.7264040      6.3085720
  C      -0.7751720      8.9588160      4.3230350
  H      -1.1608610      8.1060810      3.7539830
  H      -1.1807510      9.8649650      3.8704730
  H      -1.1694610      8.8956050      5.3431440
  B       1.0659300      6.8118740     10.1398260
  N       2.8273960      8.3569010      4.6498250
  C       1.7164150      7.8867330      9.1884130
  H       1.5314930      8.8417250      9.7114050
  H       2.8131050      7.7939800      9.2175310
  C       4.0936120      3.4989110      3.5274040
  H       4.1966340      2.5130350      3.9906560
  H       4.9423590      4.1163700      3.8307430
  H       4.1382280      3.3574960      2.4429360
  C       4.1535200     10.2278760      3.7639880
  H       4.1887260     11.2297840      4.2017320
  H       4.2887780     10.3376590      2.6831640
  H       4.9891910      9.6451240      4.1583630
  C       1.4980150      3.6710850      3.7669190
  H       1.1844290      2.7383840      3.3213330
  C       0.6054860      7.0195730     12.5959030
  H       0.6049250      8.1181060     12.5491060
  H       0.9309790      6.7677070     13.6144760
  C       1.6474730      6.5062290     11.5700320
  H       2.5884010      7.0388710     11.7683940
  C      -0.2677690      6.0130830      9.8863780
  H      -0.6984990      6.1814300      8.8882050
  C      -0.8293630      6.5218140     12.3789350
  H      -1.5114390      7.1348500     12.9803760
  H      -0.9357530      5.5071920     12.7701130
  C      -1.2902260      6.5623860     10.9165970
  H      -2.2404760      6.0200090     10.8165320
  H      -1.5140430      7.6049600     10.6471100
  C       1.9430660      4.9901620     11.6528810
  H       2.3047480      4.7342920     12.6581780
  H       2.7804190      4.7713200     10.9728880
  C       0.7669900      4.0768810     11.2882990
  H       1.1381040      3.0529210     11.1577690
  H       0.0689420      4.0241830     12.1269570
  C       0.0199980      4.4983690     10.0163390
  H      -0.9194420      3.9334140      9.9406190
  H       0.6200340      4.1926270      9.1454940
  N       5.4966730      6.9095390      3.0325050
  C       6.1563520      6.9604070      2.0834800
  C       6.1983250      6.6634500      7.2315190
  C       6.9832530      7.0238700      0.8934230
  H       8.0355780      7.1158850      1.1744770
  H       6.8515720      6.1157990      0.2992800
  H       6.6994860      7.8885250      0.2877670
  C       7.0684860      6.5843340      8.3893120
  H       6.4694940      6.5203230      9.3015600
  H       7.7039310      5.6977060      8.3183030
  H       7.7018920      7.4737290      8.4413200
     77
Step 6
  Cu      3.5040780      5.8916480      3.7527790
  N       1.8975170      4.6533770      3.9899470
  C       2.3034030      8.5797440      2.7827710
  N       0.7848190      5.1614420      4.5682620
  N       1.1223460      7.5023230      4.2254780
  C       0.8282320      6.4685560      5.2003920
  H      -0.1859660      6.6694180      5.5508120
  C      -0.2510500      4.2840500      4.5126620
  C      -1.5962670      4.5582210      5.0881350
  H      -1.5549890      4.7236860      6.1702890
  H      -2.2454250      3.6994220      4.9118240
  H      -2.0724450      5.4296360      4.6258660
  C       1.0739520      9.2482040      2.9050920
  H       0.7584880     10.1369540      2.3787280
  C       1.7741220      6.4939830      6.4000030
  H       1.4369970      5.7057270      7.0837560
  H       2.7865950      6.2094790      6.0832810
  C       0.3369550      8.5381850      3.8316250
  C       1.5690640      3.4405470      3.5424460
  C       1.8102350      7.8398910      7.1165070
  H       0.7819910      8.1791570      7.3055210
  H       2.2636070      8.5870630      6.4526850
  C      -1.0344270      8.7835120      4.3557820
  H      -1.7157130      7.9564900      4.1283920
  H      -1.4428380      9.6808180      3.8887760
  H      -1.0383920      8.9438610      5.4390570
  B       1.8966660      6.9703820      9.6414030
  N       2.3228300      7.5234440      3.5992030
  C       2.5652200      7.7502740      8.4430540
  H       2.7366120      8.7650930      8.8403950
  H       3.5850790      7.3673120      8.2819820
  C       2.5500530      2.5743840      2.8322720
  H       2.9492340      1.8038640      3.5005490
  H       3.3845160      3.1644920      2.4464680
  H       2.0749620      2.0639280      1.9910270
  C       3.4573030      8.9231700      1.9076130
  H       4.0995510      9.6744310      2.3788500
  H       3.1054630      9.3307100      0.9570730
  H       4.0707880      8.0437920      1.7011350
  C       0.2267420      3.1677250      3.8554840
  H      -0.3285600      2.2695350      3.6287740
  C       1.9331600      7.5744970     12.0681430
  H       2.1423210      8.6306550     11.8448190
  H       2.3810160      7.3871720     13.0533270
  C       2.6504930      6.7135950     10.9962960
  H       3.6997730      7.0380700     10.9668280
  C       0.4064800      6.4641350      9.7122440
  H      -0.1552650      6.6053630      8.7762340
  C       0.4132350      7.3840660     12.1507870
  H      -0.0149690      8.2029360     12.7413260
  H       0.1807200      6.4753310     12.7111650
  C      -0.2858760      7.3452780     10.7862710
  H      -1.3266820      7.0178290     10.9157170
  H      -0.3441850      8.3710710     10.3934520
  C       2.6407030      5.1925420     11.2795270
  H       3.1058420      4.9930420     12.2542380
  H       3.2922730      4.7075880     10.5377020
  C       1.2606370      4.5276410     11.2284170
  H       1.3911670      3.4388840     11.2037510
  H       0.7167040      4.7291080     12.1544150
  C       0.4075390      4.9492520     10.0257560
  H      -0.6237540      4.5968640     10.1673920
  H       0.7811420      4.4198360      9.1350560
  C       5.2829750      4.9928440      3.8484180
  C       5.5909430      6.1921000      3.7715050
  H       5.4140630      3.9376160      3.9928440
  C       6.1936860      7.4870650      3.6530300
  C       5.9447560      8.4854230      4.6069960
  C       7.0539670      7.7480840      2.5747800
  C       6.5536810      9.7269110      4.4817060
  C       7.6532580      8.9955640      2.4576930
  C       7.4042490      9.9850440      3.4071000
  H       5.2821110      8.2776820      5.4416710
  H       7.2477930      6.9705230      1.8427130
  H       6.3679800     10.4954920      5.2255470
  H       8.3205530      9.1946000      1.6250190
  H       7.8777630     10.9574870      3.3127080
     100
Step 7
  Cu      4.1163280      6.2562870      4.5403910
  N       2.5582290      5.0532650      3.9941670
  C       3.1042490      9.1225740      3.8421100
  N       1.3141900      5.4395620      4.3588920
  N       1.6374780      7.7806700      4.6689190
  C       1.1436390      6.5561960      5.2736620
  H       0.0671810      6.6942170      5.3909910
  C       0.3610420      4.6708290      3.7701250
  C      -1.0991210      4.8499400      3.9972650
  H      -1.3680770      4.7470040      5.0539390
  H      -1.6468690      4.0868300      3.4425880
  H      -1.4523450      5.8260820      3.6475950
  C       1.8653090      9.7854660      3.8187180
  H       1.6637840     10.7820730      3.4544690
  C       1.7598330      6.2770870      6.6454790
  H       1.2840640      5.3626790      7.0175670
  H       2.8266040      6.0430800      6.5229070
  C       0.9450100      8.9055770      4.3520940
  C       2.4042900      4.0338650      3.1484240
  C       1.5907730      7.4251600      7.6332090
  H       0.5186010      7.5931610      7.8061460
  H       1.9748110      8.3425610      7.1662560
  C      -0.5157370      9.0705020      4.5857590
  H      -1.1085360      8.3404380      4.0241230
  H      -0.8233050     10.0638380      4.2560270
  H      -0.7734260      8.9789470      5.6462450
  B       1.7207470      6.0580620      9.9924670
  N       2.9522380      7.9072630      4.3718170
  C       2.2943610      7.1929480      8.9756690
  H       2.2423260      8.1373990      9.5318960
  H       3.3726180      7.0477690      8.7930600
  C       3.5717710      3.3770660      2.4990430
  H       3.5403760      2.2932790      2.6406990
  H       4.5087850      3.7558970      2.9133390
  H       3.5733760      3.5681010      1.4213170
  C       4.4258090      9.6149900      3.3666000
  H       4.8612930     10.3241630      4.0779190
  H       4.3196350     10.1264920      2.4065270
  H       5.1299290      8.7897220      3.2438990
  C       1.0357040      3.7543340      2.9882200
  H       0.5916150      2.9830890      2.3762060
  C       1.6150880      7.4345250     12.1365500
  H       2.0831510      8.3042090     11.6561020
  H       1.8870600      7.5092160     13.1987250
  C       2.2299150      6.1545850     11.5341280
  H       3.3233840      6.2759240     11.5879530
  C       0.1139640      5.8351210     10.0603690
  H      -0.3260200      5.7114550      9.0566750
  C       0.0895730      7.5577200     12.0062180
  H      -0.2031410      8.5955430     12.2080990
  H      -0.3947880      6.9683170     12.7890490
  C      -0.4689660      7.1409460     10.6381870
  H      -1.5628060      7.0591390     10.7116730
  H      -0.2793570      7.9525610      9.9207350
  C       1.8723270      4.8772770     12.3133770
  H       2.1683840      4.9810740     13.3665870
  H       2.4817880      4.0520640     11.9166480
  C       0.3939970      4.4657940     12.2547200
  H       0.2967710      3.4322950     12.6095950
  H      -0.1775030      5.0650320     12.9688350
  C      -0.2492130      4.5748920     10.8638050
  H      -1.3403500      4.4959260     10.9719640
  H       0.0525770      3.6992530     10.2706570
  C       7.3303390      2.2112100      6.8409160
  C       7.1181920      3.1466410      7.8546200
  C       6.2110430      1.6860530      6.1892040
  H       7.9757450      3.5678380      8.3739910
  H       6.3491310      0.9455190      5.4046480
  C       5.8448910      3.5690060      8.2362310
  C       4.9145830      2.0632960      6.5310750
  C       4.7462030      3.0146990      7.5541410
  N       3.3961490      3.3692720      7.7735530
  N       2.9703210      4.0474850      8.6863090
  N       2.3277700      4.6019920      9.4579720
  C       3.7248140      1.4615590      5.8417580
  H       4.0426170      0.7690120      5.0588440
  H       3.1001150      0.9067510      6.5494100
  H       3.0866840      2.2302510      5.3938130
  C       5.6948690      4.5895260      9.3274200
  H       5.1496900      4.1981760     10.1931050
  H       6.6770280      4.9076970      9.6824800
  H       5.1680280      5.4873630      8.9834500
  C       8.7162660      1.7543830      6.4884100
  H       8.9973840      0.8786890      7.0849600
  H       8.7895210      1.4665730      5.4361800
  H       9.4581010      2.5330530      6.6842260
  C       6.0482700      6.5513810      5.3037430
  C       5.8157030      5.3502200      5.0975620
  H       5.9488110      4.2832210      5.1455150
  C       6.5673980      7.8554890      5.5981230
  C       7.7146740      8.3082310      4.9277990
  C       5.9497210      8.6728270      6.5571700
  C       8.2323800      9.5641920      5.2174660
  C       6.4796670      9.9244290      6.8417370
  C       7.6171440     10.3730940      6.1712790
  H       8.1904300      7.6704310      4.1895350
  H       5.0619720      8.3198410      7.0735710
  H       9.1208910      9.9115250      4.6995220
  H       6.0057650     10.5519490      7.5902220
  H       8.0270890     11.3530350      6.3960030
     99
Step 8
  Cu      4.3688980      6.8000090      3.9549700
  N       2.8526480      5.3287400      3.5901180
  C       2.9371040      9.4593540      3.3934430
  N       1.5493140      5.5704390      3.8341050
  N       1.5778270      7.9442790      4.0743730
  C       1.1987900      6.6882150      4.6916570
  H       0.1091690      6.7008780      4.7643830
  C       0.7497410      4.5921470      3.3318160
  C      -0.7326360      4.5846210      3.4759490
  H      -1.0465760      4.5259970      4.5243570
  H      -1.1417280      3.7134090      2.9614860
  H      -1.1940920      5.4750480      3.0343690
  C       1.6335580      9.9826180      3.2790660
  H       1.3461740     10.9597720      2.9190340
  C       1.8074220      6.5109520      6.0825430
  H       1.4248400      5.5551630      6.4576870
  H       2.8925430      6.3984190      5.9625340
  C       0.7838740      8.9913220      3.7262040
  C       2.9024070      4.1912220      2.9042780
  C       1.5016570      7.6405240      7.0564340
  H       0.4132410      7.7069410      7.2021490
  H       1.8106680      8.5887450      6.5965890
  C      -0.6994030      8.9796270      3.8574500
  H      -1.1597480      8.1787910      3.2679590
  H      -1.1015490      9.9272550      3.4951950
  H      -1.0178040      8.8607970      4.8990880
  B       1.7667040      6.2437200      9.3819560
  N       2.8843330      8.2237110      3.8859010
  C       2.1993530      7.4758580      8.4133720
  H       2.0129360      8.3942570      8.9860090
  H       3.2880410      7.4763080      8.2508420
  C       4.2087240      3.6370930      2.4514100
  H       4.3498410      2.6172860      2.8223490
  H       5.0254780      4.2598270      2.8276020
  H       4.2640940      3.6057130      1.3583130
  C       4.2427790     10.0831120      3.0429070
  H       4.3573130     11.0530340      3.5364230
  H       4.3203160     10.2490350      1.9634650
  H       5.0626360      9.4274440      3.3500170
  C       1.5960140      3.6887220      2.7200980
  H       1.3041360      2.7865640      2.2019330
  C       1.4319240      7.5196850     11.5714840
  H       1.7932530      8.4563960     11.1267750
  H       1.6663190      7.5946270     12.6433810
  C       2.2144710      6.3519190     10.9406910
  H       3.2823900      6.6043590     11.0316470
  C       0.1946900      5.8156070      9.3991530
  H      -0.2009210      5.6783320      8.3797840
  C      -0.0932060      7.4518540     11.4022070
  H      -0.5231940      8.4360820     11.6291590
  H      -0.5173910      6.7763950     12.1507690
  C      -0.5581600      7.0186550     10.0046780
  H      -1.6364520      6.8024200     10.0413800
  H      -0.4479120      7.8712540      9.3203310
  C       2.0022540      5.0107230     11.6652870
  H       2.2576830      5.1079450     12.7306700
  H       2.7199920      4.2867090     11.2545550
  C       0.5898420      4.4162860     11.5528150
  H       0.6182150      3.3660190     11.8712070
  H      -0.0698150      4.9121810     12.2709620
  C      -0.0327580      4.4940870     10.1500820
  H      -1.1090030      4.2791200     10.2288760
  H       0.3846990      3.6811970      9.5381660
  C       7.1245720      2.2048000      5.7790640
  C       7.0211730      3.4123930      6.4703260
  C       5.9600530      1.4683630      5.5605090
  H       7.9112370      4.0198700      6.6132610
  H       6.0158230      0.5285190      5.0154790
  C       5.8083290      3.8962400      6.9535640
  C       4.7184010      1.9039410      6.0151800
  C       4.6633270      3.1141250      6.7249870
  N       3.3556860      3.4837500      7.1241970
  N       3.0573150      4.2623880      8.0014790
  N       2.5424060      4.8882720      8.8123110
  C       3.4718570      1.1085830      5.7542150
  H       3.7064540      0.1980290      5.1973320
  H       2.9759600      0.8193940      6.6867640
  H       2.7451190      1.6890180      5.1748340
  C       5.7532950      5.2278660      7.6427110
  H       5.4654700      5.1469550      8.6973070
  H       6.7319050      5.7083480      7.5978560
  H       5.0534790      5.9054710      7.1416800
  C       8.4591570      1.7235710      5.2865420
  H       9.0536200      1.3065670      6.1082420
  H       8.3483850      0.9419970      4.5299320
  H       9.0368340      2.5459060      4.8531570
  C       7.4242160      6.3659990      4.3580160
  C       6.2219060      6.5660100      4.1747360
  C       8.8016960      6.1010450      4.5936350
  C       9.5621200      5.3355970      3.6875330
  C       9.4463500      6.5788710      5.7517040
  C      10.9020050      5.0599720      3.9334300
  C      10.7854590      6.2960200      5.9938290
  C      11.5222470      5.5349840      5.0883570
  H       9.0798350      4.9671260      2.7871420
  H       8.8767880      7.1833860      6.4517370
  H      11.4685060      4.4711270      3.2163670
  H      11.2595640      6.6770590      6.8947330
  H      12.5694640      5.3176230      5.2780900
     99
Step 9
  Cu      4.2896800      6.7138690      4.7865740
  N       2.7430230      5.3577060      4.6152310
  C       2.8971070      9.4178510      3.9794520
  N       1.4509020      5.6440770      4.8778700
  N       1.5129580      8.0298040      4.8495370
  C       1.1191230      6.8584260      5.6029730
  H       0.0291700      6.8875170      5.6697580
  C       0.6207400      4.6509720      4.4628750
  C      -0.8568670      4.6815870      4.6466250
  H      -1.1405730      4.7319620      5.7039590
  H      -1.2908370      3.7699730      4.2325100
  H      -1.3203000      5.5303760      4.1313160
  C       1.5970100      9.8971730      3.7140590
  H       1.3249540     10.7941050      3.1766790
  C       1.7117410      6.8496030      7.0106660
  H       1.3531410      5.9374100      7.5036190
  H       2.8026600      6.7605960      6.9389750
  C       0.7301240      8.9863590      4.2811930
  C       2.7490300      4.1725960      4.0071670
  C       1.3381390      8.0812580      7.8266900
  H       0.2468080      8.2177960      7.8110140
  H       1.7699790      8.9670890      7.3457490
  C      -0.7582940      8.9737670      4.3296910
  H      -1.1794940      8.0875260      3.8418960
  H      -1.1434050      9.8501510      3.8056430
  H      -1.1385760      9.0090910      5.3567150
  B       1.0955550      6.9645200     10.2450870
  N       2.8267610      8.2868930      4.6784820
  C       1.8208990      7.9642560      9.2720580
  H       1.7349520      8.9437080      9.7750590
  H       2.9038180      7.7650560      9.2934340
  C       4.0239730      3.5563540      3.5468580
  H       4.1534860      2.5580190      3.9760660
  H       4.8698620      4.1835680      3.8426160
  H       4.0385860      3.4540590      2.4571440
  C       4.2107810      9.9859340      3.5685460
  H       4.2602090     11.0563250      3.7888390
  H       4.3721800      9.8550710      2.4936140
  H       5.0247330      9.4714040      4.0852200
  C       1.4305290      3.6884530      3.8950460
  H       1.1078900      2.7560110      3.4551670
  C       0.5841270      7.2126030     12.7029670
  H       0.6030350      8.3108430     12.6506670
  H       0.8852820      6.9601730     13.7294240
  C       1.6326120      6.6778720     11.6983930
  H       2.5788910      7.1973930     11.9055420
  C      -0.2592290      6.1978610      9.9869550
  H      -0.6674710      6.3621290      8.9789220
  C      -0.8557270      6.7400130     12.4625060
  H      -1.5386570      7.3683910     13.0479210
  H      -0.9866460      5.7287270     12.8558640
  C      -1.2868550      6.7791540     10.9911430
  H      -2.2491220      6.2596700     10.8786540
  H      -1.4798260      7.8248650     10.7094310
  C       1.9070910      5.1581720     11.7937420
  H       2.2568930      4.9042720     12.8042440
  H       2.7463820      4.9255970     11.1224670
  C       0.7208540      4.2593580     11.4260010
  H       1.0785740      3.2288240     11.3086690
  H       0.0120800      4.2254590     12.2573460
  C      -0.0042720      4.6793230     10.1402730
  H      -0.9543890      4.1318470     10.0606710
  H       0.6000950      4.3511430      9.2815550
  C       5.6481880      7.0938190      1.7231550
  H       4.8187180      6.7688780      2.3492280
  C       5.4486550      7.2954500      0.3614120
  H       4.4617410      7.1348680     -0.0663690
  C       6.5060320      7.6924560     -0.4542820
  H       6.3519040      7.8483480     -1.5184480
  C       7.7650760      7.8818340      0.1132140
  H       8.6007470      8.1880280     -0.5111310
  C       7.9647480      7.6851320      1.4740480
  H       8.9430510      7.8321130      1.9207280
  C       6.9075780      7.2909200      2.3088430
  C       7.1353000      7.1004010      3.7423750
  C       6.2101790      6.8602630      4.7659710
  N       7.0409040      6.7936620      5.8445190
  N       8.3532770      6.9744470      5.5295590
  N       8.4004700      7.1627920      4.2562070
  C       5.9007590      8.9328270      7.3867090
  H       6.7816530      9.2864700      6.8421210
  H       5.0738220      8.9053650      6.6675660
  H       5.6572680      9.6583010      8.1676150
  C       6.1481140      7.5748110      7.9766830
  C       5.8535550      7.3056220      9.3148620
  H       5.4468920      8.1046190      9.9327820
  C       5.8333200      5.8103040     11.3465870
  H       6.7297080      6.0085670     11.9466640
  H       5.0380980      6.4586560     11.7266150
  H       5.5429380      4.7718810     11.5331950
  C       6.0982180      6.0564770      9.8869700
  C       6.6414580      5.0546910      9.0815090
  H       6.8398870      4.0739870      9.5097260
  C       6.9524120      5.2778630      7.7406140
  C       6.6956350      6.5453720      7.2016290
  C       7.5564940      4.2004650      6.8885700
  H       7.6192820      3.2561810      7.4353060
  H       8.5599900      4.4869940      6.5594410
  H       6.9636610      4.0427330      5.9811980
     114
Step 10
  Cu      4.0941380      7.1132070      3.7390950
  N       2.9366290      5.4506630      3.4900320
  C       2.0845530      9.4730990      3.7224680
  N       1.8169710      5.3484680      4.2412880
  N       1.4055850      7.6623360      4.6702260
  C       1.5324690      6.3448380      5.2639840
  H       0.5453530      6.1006200      5.6601840
  C       1.1059530      4.2360130      3.9285010
  C      -0.1502910      3.8426480      4.6230580
  H       0.0073460      3.7050850      5.6982820
  H      -0.5041960      2.8931250      4.2194680
  H      -0.9469880      4.5812620      4.4827080
  C       0.7286870      9.6481280      4.0439650
  H       0.1194220     10.5196810      3.8554460
  C       2.5329550      6.2991110      6.4166070
  H       2.4375170      5.3040260      6.8600730
  H       3.5596340      6.3786420      6.0310220
  C       0.3197880      8.4770170      4.6512720
  C       2.9355440      4.4022900      2.6655960
  C       2.2678290      7.3747310      7.4644630
  H       1.1849620      7.4387900      7.6349120
  H       2.5590560      8.3448040      7.0371090
  C      -1.0078670      8.0999860      5.2084330
  H      -1.4198820      7.2096960      4.7212340
  H      -1.7112490      8.9178830      5.0459090
  H      -0.9618290      7.9120310      6.2865340
  B       2.2645540      6.1125180      9.8973350
  N       2.4856770      8.2633600      4.1193380
  C       2.9743090      7.1269690      8.8059620
  H       3.0626940      8.0998260      9.3035260
  H       4.0163830      6.8383910      8.5952140
  C       4.0182350      4.1989060      1.6634770
  H       4.6459910      3.3407240      1.9253560
  H       4.6534400      5.0851220      1.5970660
  H       3.5979150      4.0064380      0.6726430
  C       3.0077030     10.4278780      3.0501490
  H       3.3964880     11.1637980      3.7616880
  H       2.4866000     10.9702560      2.2575800
  H       3.8607740      9.9067170      2.6105050
  C       1.8029050      3.6083310      2.9126610
  H       1.5187410      2.6953680      2.4103420
  C       2.2440370      7.8079830     11.8402870
  H       2.8638980      8.5286770     11.2905800
  H       2.4668870      7.9885580     12.9018760
  C       2.6942920      6.3840930     11.4501280
  H       3.7821090      6.3719600     11.6005570
  C       0.6334680      6.1570570      9.9058110
  H       0.2056080      5.9399090      8.9118430
  C       0.7658140      8.1370310     11.5854670
  H       0.6308510      9.2261310     11.6141730
  H       0.1568510      7.7561960     12.4096170
  C       0.2134290      7.6002290     10.2581590
  H      -0.8840570      7.6803370     10.2764720
  H       0.5444920      8.2702540      9.4519740
  C       2.1076320      5.3094200     12.3844510
  H       2.3806310      5.5240690     13.4278760
  H       2.5847390      4.3451400     12.1571950
  C       0.5869350      5.1308990     12.2996460
  H       0.3044490      4.1960980     12.8020340
  H       0.0954920      5.9194580     12.8756160
  C       0.0334250      5.1142900     10.8672310
  H      -1.0613990      5.2187720     10.9090430
  H       0.2170340      4.1196020     10.4406080
  C       5.9691120      8.0157000      3.9814300
  C       6.0646130      6.8523370      3.5590890
  H       6.5365970      5.9286800      3.2849160
  C       6.1265190      9.3690900      4.4272550
  C       6.8769660     10.2649790      3.6493640
  C       5.5532990      9.7989830      5.6338480
  C       7.0480240     11.5743840      4.0795890
  C       5.7352710     11.1093960      6.0551540
  C       6.4783130     11.9982740      5.2789270
  H       7.3209130      9.9257760      2.7188150
  H       4.9739530      9.1028430      6.2329370
  H       7.6306440     12.2654550      3.4785140
  H       5.2975990     11.4385220      6.9924810
  H       6.6168150     13.0224530      5.6116900
  C       0.7410280     -0.1553580      5.9423800
  C       1.8865000      0.5418790      5.5562870
  C       0.1861000      0.1191940      7.1940030
  H       2.3320750      0.3397990      4.5850670
  H      -0.7050990     -0.4172020      7.5109700
  C       2.4880300      1.4900380      6.3839680
  C       0.7438550      1.0555740      8.0630720
  C       1.8936340      1.7283970      7.6292180
  N       2.4979180      2.6968670      8.4968350
  N       1.9515360      3.8904170      8.6650690
  N       2.7364860      4.5613290      9.4674290
  C       0.1240430      1.3249310      9.4027840
  H      -0.5697030      0.5258510      9.6716420
  H       0.8771180      1.4008550     10.1929340
  H      -0.4315810      2.2682950      9.4012340
  C       3.7325030      2.2080020      5.9418510
  H       4.6279450      1.7910850      6.4165930
  H       3.8588310      2.1148490      4.8611540
  H       3.7025000      3.2738670      6.1868890
  C       0.1348540     -1.2006950      5.0503880
  H       0.4323910     -1.0632080      4.0076910
  H       0.4594810     -2.2023860      5.3542830
  H      -0.9574310     -1.1864600      5.1010730
  C       3.6481420      2.5847820      9.1940920
  C       3.8204630      3.7980260      9.8225960
  C       4.9680820      4.1548550     10.6734930
  C       5.2932270      3.3219290     11.7497660
  C       5.7945330      5.2431920     10.3766310
  C       6.4159320      3.5849380     12.5276940
  C       6.9161070      5.5017620     11.1553270
  C       7.2284000      4.6757250     12.2325350
  H       4.6494940      2.4801690     11.9897110
  H       5.5569490      5.8860580      9.5363560
  H       6.6517000      2.9393900     13.3681230
  H       7.5496110      6.3514740     10.9195710
  H       8.1036170      4.8823530     12.8410320
  H       4.2530560      1.6917840      9.1892990
     45
Step 11
  Cu      3.8572160      6.8281790      3.6992630
  N       2.4571250      5.3786360      3.9936550
  C       2.4875000      9.5941680      3.5629860
  N       1.2859520      5.7066010      4.5883520
  N       1.3808350      8.1026720      4.6484610
  C       1.1983300      6.8886870      5.4218800
  H       0.1741720      6.9241270      5.7956650
  C       0.3454580      4.7414480      4.4046610
  C      -1.0319520      4.8139760      4.9644620
  H      -1.0328710      4.8354610      6.0597370
  H      -1.5940060      3.9320970      4.6539470
  H      -1.5753070      5.6940910      4.6041480
  C       1.2259030     10.1396780      3.8574590
  H       0.8573400     11.1199240      3.5932300
  C       2.1551410      6.8203680      6.6214600
  H       1.9263770      5.9023490      7.1730280
  H       3.1816290      6.7247580      6.2456710
  C       0.5409260      9.1681220      4.5594970
  C       2.2598470      4.1986390      3.4037070
  C       2.0240700      8.0224760      7.5067990
  H       2.3947800      8.9637500      7.1024350
  C      -0.8207800      9.1942560      5.1599220
  H      -1.4662820      8.4102750      4.7494570
  H      -1.2927400     10.1539420      4.9448790
  H      -0.7827840      9.0763340      6.2483080
  N       2.5741280      8.3598770      4.0624360
  C       1.4915390      7.9941300      8.7270310
  H       1.4202820      8.8899660      9.3359500
  H       1.1251990      7.0708870      9.1707750
  C       3.3364140      3.5363010      2.6181760
  H       3.4843680      2.5061050      2.9538830
  H       4.2796790      4.0768660      2.7287500
  H       3.0807180      3.5023000      1.5544500
  C       3.6144860     10.2030520      2.8055270
  H       3.8505850     11.1979110      3.1930740
  H       3.3595900     10.3142930      1.7468340
  H       4.5085640      9.5790020      2.8804660
  C       0.9454680      3.7603860      3.6417080
  H       0.4876530      2.8436630      3.3002830
  N       5.7119210      6.7475400      3.2096250
  C       6.8368610      6.6913210      2.9436800
  C       8.2448540      6.6210600      2.6110900
  H       8.7995480      7.3685170      3.1847810
  H       8.6343520      5.6269650      2.8466990
  H       8.3823030      6.8155370      1.5439280
     6
Step 12
  C       5.6800200     -2.4075020      2.3766090
  N       5.6799140     -2.4075000      1.2178450
  C       5.6799660     -2.4074970      3.8305290
  H       6.7057080     -2.4075080      4.2080140
  H       5.1670840     -3.2958320      4.2079830
  H       5.1670760     -1.5191700      4.2079780
     23
Step 13
  C       7.1901070      1.2486020      6.9683490
  C       7.5662840      2.2521430      7.8584530
  C       5.8312310      1.0985060      6.6879940
  H       8.6171340      2.3688270      8.1155440
  H       5.5095120      0.3102590      6.0105530
  C       6.6401550      3.1082580      8.4555820
  C       4.8659990      1.9299850      7.2481270
  C       5.2872520      2.9494370      8.1164900
  N       4.2448230      3.7319350      8.6837360
  N       4.3937530      4.9376980      8.8607120
  N       4.3766830      6.0546140      9.0774360
  C       3.4095580      1.7555690      6.9316450
  H       3.2550850      0.8944400      6.2771440
  H       2.8199690      1.6092680      7.8422830
  H       3.0017910      2.6422970      6.4349860
  C       7.0952690      4.1282410      9.4613670
  H       6.4768420      4.1014740     10.3650300
  H       8.1276030      3.9310580      9.7590920
  H       7.0571010      5.1523370      9.0734340
  C       8.2150900      0.3603620      6.3213760
  H       9.1354260      0.3165260      6.9102070
  H       7.8408810     -0.6606170      6.2012540
  H       8.4822190      0.7275610      5.3232090
     14
Step 14
  C      -1.1089160      0.9889990      3.8027000
  C      -1.1089160      0.9889990      5.0123210
  H      -1.1089160      0.9889990      2.7364440
  C      -1.1089160      0.9889990      6.4395850
  C      -2.3189990      0.9889990      7.1497980
  C       0.1011680      0.9889990      7.1497980
  C      -2.3142780      0.9889990      8.5386900
  C       0.0964470      0.9889990      8.5386900
  C      -1.1089160      0.9889990      9.2366890
  H      -3.2548110      0.9889990      6.6003450
  H       1.0369800      0.9889990      6.6003450
  H      -3.2562770      0.9889990      9.0791980
  H       1.0384460      0.9889990      9.0791980
  H      -1.1089160      0.9889990     10.3227140
     37
Step 15
  C       7.1590800      1.3618010      6.7637230
  C       7.3005660      1.7994550      8.0810430
  C       5.9598010      1.6234400      6.0989750
  H       8.2318390      1.6087980      8.6097680
  H       5.8362930      1.2926650      5.0700840
  C       6.2816730      2.4848220      8.7417970
  C       4.9109410      2.3034630      6.7155470
  C       5.0940280      2.7152810      8.0401540
  N       4.0305620      3.4069420      8.6944800
  N       3.8718670      4.7356380      8.5503420
  N       2.8354710      5.0802150      9.2424220
  C       3.6301300      2.5958380      5.9892710
  H       3.6760180      2.2352030      4.9593640
  H       2.7739360      2.1193280      6.4791260
  H       3.4286310      3.6713830      5.9729690
  C       6.4526890      2.9704780     10.1523350
  H       5.7777590      2.4530410     10.8429160
  H       7.4760970      2.8068590     10.4970690
  H       6.2282950      4.0390150     10.2280480
  C       8.2858680      0.6557610      6.0633440
  H       8.9279710      0.1252990      6.7718080
  H       7.9126510     -0.0681090      5.3333980
  H       8.9166420      1.3700700      5.5210500
  C       3.0700090      2.8958530      9.4976950
  C       2.2977410      3.9841280      9.8512770
  C       1.1102350      4.0719490     10.7021870
  C       0.5778540      2.9409090     11.3322250
  C       0.4852900      5.3099580     10.8956420
  C      -0.5517830      3.0443470     12.1353320
  C      -0.6437200      5.4099250     11.6993670
  C      -1.1678880      4.2794470     12.3224350
  H       1.0488670      1.9708750     11.1958990
  H       0.9015880      6.1842300     10.4055650
  H      -0.9523260      2.1568610     12.6171400
  H      -1.1178400      6.3772410     11.8401280
  H      -2.0506970      4.3598470     12.9500860
  H       3.0243300      1.8439600      9.7321400
