59
Compound 2
W	7.9869960	9.2915090	5.1136990
W	9.5962810	11.0162440	3.0774560
Fe	7.6788690	12.2472760	4.6801960
P	9.2270440	8.6163790	3.1118050
O	10.3220490	9.2479350	6.9768670
O	8.3635810	11.5357140	0.4104770
O	5.4144740	13.4749080	6.0877510
O	5.9501920	11.1105540	2.5714280
O	9.6882860	12.7426520	6.7971710
O	8.4246830	14.5341400	3.0153820
N	9.4314610	9.3326060	6.1701770
N	8.7721180	11.2800800	1.5138180
C	6.3017980	12.9805810	5.5451360
C	6.7253100	11.4659680	3.3555270
C	8.9385120	12.5445210	5.9466970
C	8.1608570	13.6001070	3.6415480
C	7.0197170	7.5082370	6.3163360
H	7.6377370	6.9593540	7.0151010
C	6.2459680	8.6691920	6.6178310
H	6.1570300	9.1458050	7.5845810
C	5.5683120	9.0589980	5.4173860
H	4.9099640	9.9117670	5.3186460
C	5.9362880	8.1752740	4.3806710
H	5.6081400	8.2190050	3.3516470
C	6.8526960	7.2140420	4.9332570
H	7.2831370	6.3787490	4.3997180
C	11.5851230	11.4160670	4.5260720
H	11.5743990	11.2067080	5.5866350
C	11.9283840	10.4953990	3.5038180
H	12.2512430	9.4768940	3.6568530
C	11.7905880	11.1457320	2.2383530
H	12.0035300	10.7127470	1.2702110
C	11.3671290	12.4872010	2.4869890
H	11.1791580	13.2467980	1.7394430
C	11.2362560	12.6473460	3.8945870
H	10.9545150	13.5621700	4.3954530
C	10.6822520	7.4889580	3.2969290
C	11.4656800	7.2010040	2.1633860
H	11.1859850	7.6094430	1.1955440
C	12.5951110	6.3904660	2.2672450
H	13.1886590	6.1772890	1.3821130
C	12.9635950	5.8558720	3.5058410
H	13.8456050	5.2265050	3.5873680
C	12.1950770	6.1369820	4.6351030
H	12.4756800	5.7286980	5.6022690
C	11.0591670	6.9469580	4.5331010
H	10.4809380	7.1716280	5.4216350
C	8.2419760	7.7326210	1.8159620
C	8.3087040	6.3299760	1.7190070
H	8.9895000	5.7724210	2.3542820
C	7.5155590	5.6377830	0.8025590
H	7.5854650	4.5546550	0.7445360
C	6.6413620	6.3319680	-0.0353610
H	6.0267830	5.7940380	-0.7521030
C	6.5665130	7.7228770	0.0528570
H	5.8961670	8.2771490	-0.5983320
C	7.3557470	8.4198930	0.9706710
H	7.2811080	9.4971010	1.0106240
H	7.4273270	10.9171890	5.6819080
59
Compound 2'
W	8.0980930	9.3075320	5.2084130
W	9.6742170	11.0387880	3.1587760
Fe	7.5732650	12.0482090	5.1373330
P	9.2609500	8.6185960	3.2019450
O	10.4489070	9.2277960	7.0420980
O	8.2209140	11.7256040	0.6440610
O	5.3837980	11.8669220	7.0612850
O	5.8680870	11.0200590	2.9564600
O	9.6023060	12.1033990	7.2979000
O	7.2870120	14.9297500	4.6318810
N	9.5549520	9.3457620	6.2389810
N	8.7239660	11.3963580	1.6869600
C	6.2480830	11.9198780	6.2989850
C	6.6163970	11.3412360	3.7801390
C	8.8251760	12.0116740	6.4511730
C	7.3990130	13.8022090	4.8287100
C	7.2365970	7.5418230	6.5293360
H	7.9006060	7.0962960	7.2590150
C	6.3783350	8.6576220	6.7540790
H	6.2455030	9.1821840	7.6902760
C	5.6680150	8.9082610	5.5347730
H	4.9175440	9.6716350	5.3888290
C	6.1096710	7.9933760	4.5590790
H	5.7776860	7.9417440	3.5317840
C	7.1017710	7.1492110	5.1684850
H	7.5993280	6.3162860	4.6933190
C	11.8578400	10.8771710	4.2841330
H	12.0055700	10.2172010	5.1283240
C	11.9837390	10.5285630	2.8971740
H	12.3053280	9.5715860	2.5134260
C	11.6824500	11.6823030	2.1186370
H	11.7026340	11.7444570	1.0383290
C	11.3308690	12.7369760	3.0132140
H	11.0556170	13.7458310	2.7366720
C	11.4563850	12.2301250	4.3470710
H	11.2577080	12.7870430	5.2520440
C	10.7340700	7.5027940	3.3034220
C	11.3685680	7.0909600	2.1156890
H	10.9635260	7.3931410	1.1535590
C	12.5076610	6.2878420	2.1577820
H	12.9814860	5.9772740	1.2302590
C	13.0371330	5.8843070	3.3872390
H	13.9251960	5.2590500	3.4202390
C	12.4191450	6.2905580	4.5693370
H	12.8238760	5.9847310	5.5303900
C	11.2741340	7.0930850	4.5309740
H	10.8186430	7.4101170	5.4610900
C	8.2242030	7.7648800	1.9300710
C	8.2044400	6.3585210	1.8705990
H	8.8586530	5.7776940	2.5135180
C	7.3618960	5.6928880	0.9796610
H	7.3633860	4.6063920	0.9499160
C	6.5239580	6.4186480	0.1305980
H	5.8694710	5.9009610	-0.5654360
C	6.5377030	7.8133430	0.1794110
H	5.8970090	8.3902310	-0.4818300
C	7.3781570	8.4844930	1.0711660
H	7.3745430	9.5655240	1.0814690
H	8.8554270	12.3372830	4.0906860
59
Compound 2F
W	7.7908330	9.2344400	5.0357600
W	9.4047200	10.8887340	3.0303310
Fe	8.2421010	12.1476180	5.4811780
P	9.2079390	8.4551290	3.1834520
O	9.4151550	8.3038990	7.3583590
O	7.0602030	11.2943570	1.2204850
O	6.2551470	12.0985720	7.6331950
O	6.1217020	12.7945640	3.5188590
O	10.4885960	11.3973270	7.2693580
O	9.3051960	14.8603210	5.1718800
N	8.8511050	8.7272540	6.3812600
N	7.9448630	11.0852880	2.0101280
C	7.0410920	12.0908740	6.7863600
C	6.9863570	12.4865890	4.2166860
C	9.6081250	11.6742610	6.5846940
C	8.8926890	13.7868810	5.2815630
C	6.1033730	7.6924090	5.6492110
H	6.3774610	6.8547930	6.2773620
C	5.6814840	8.9785680	6.1024320
H	5.5539110	9.2846980	7.1320720
C	5.4064840	9.7769340	4.9471800
H	5.0319460	10.7895950	4.9577810
C	5.6857030	9.0094490	3.7906990
H	5.5978610	9.3433350	2.7654330
C	6.1325300	7.7184000	4.2277180
H	6.4024530	6.8937530	3.5842450
C	11.4688530	12.0842090	3.6150810
H	11.6345020	12.5027110	4.5977580
C	11.8369480	10.7885720	3.1949270
H	12.3307750	10.0351980	3.7927850
C	11.4171210	10.6346530	1.8268840
H	11.5939440	9.7671160	1.2075490
C	10.8286080	11.8624490	1.4093610
H	10.4218260	12.0729940	0.4285260
C	10.8229960	12.7508460	2.5237530
H	10.4369240	13.7611560	2.5349120
C	10.7924450	7.5417550	3.4541840
C	11.5077200	7.0602820	2.3414380
H	11.0907460	7.1611240	1.3436130
C	12.7447040	6.4361380	2.5035240
H	13.2800520	6.0703600	1.6312040
C	13.2902010	6.2801800	3.7798420
H	14.2527140	5.7921850	3.9070780
C	12.5872200	6.7499890	4.8899030
H	12.9961720	6.6251040	5.8888730
C	11.3476450	7.3767550	4.7328370
H	10.8185590	7.7207950	5.6117350
C	8.4339050	7.4659470	1.8276540
C	8.3800940	6.0642100	1.9517070
H	8.8289170	5.5801730	2.8150940
C	7.7669190	5.2854670	0.9710850
H	7.7376250	4.2047630	1.0826010
C	7.1945240	5.8924340	-0.1507030
H	6.7166920	5.2858230	-0.9151780
C	7.2410160	7.2798840	-0.2818130
H	6.7990760	7.7617600	-1.1497870
C	7.8573650	8.0645410	0.6983760
H	7.8727830	9.1407820	0.5821860
H	8.8963800	10.7236040	4.7703280
61
Compound 3
W	1.0909880	7.4040680	9.2074430
W	2.6261730	6.3993360	11.6442320
W	1.4143500	4.1048510	9.6157010
P	1.7481470	8.6409450	11.1987230
N	2.6723410	7.5737810	8.3808260
N	1.4985940	5.9867490	12.9662530
O	3.6457350	7.7707360	7.7035680
O	0.8924330	5.6608620	13.9523930
O	1.1304670	1.0511100	8.8307930
O	4.3200470	4.2212530	8.2674230
O	2.5183160	2.7816870	12.3274980
O	-1.5285810	4.2092960	10.8952650
O	0.2182350	4.4862460	6.6687720
C	1.2364390	2.1683010	9.1137930
C	3.2769640	4.1933630	8.7642770
C	2.1449250	3.3527890	11.3917230
C	-0.4648200	4.1561300	10.4491510
C	0.6456570	4.4465560	7.7456280
C	-0.0489510	8.8197940	7.6767450
H	0.5269250	9.4928080	7.0548540
C	-0.4031210	7.4765600	7.3513170
H	-0.1619530	6.9559490	6.4356120
C	-1.1740330	6.9554150	8.4378270
H	-1.6097520	5.9677050	8.4843840
C	-1.2750330	7.9520440	9.4390520
H	-1.7935540	7.8675810	10.3838640
C	-0.5637050	9.1071580	8.9699090
H	-0.4814090	10.0488230	9.4930700
C	4.7159290	5.1822430	11.5166880
H	4.7647610	4.1650220	11.1574110
C	4.4774200	5.5728090	12.8637770
H	4.2827100	4.9054280	13.6930880
C	4.5190870	6.9992190	12.9193440
H	4.4026890	7.6084510	13.8053290
C	4.8205610	7.4711370	11.6001900
H	4.9340900	8.5057110	11.3140690
C	4.9348830	6.3603050	10.7350530
H	5.1295780	6.3996690	9.6722170
C	0.3697230	9.3681240	12.1946320
C	-0.4790410	8.5544460	12.9631100
H	-0.2920150	7.4926030	13.0482200
C	-1.5623210	9.1074780	13.6494240
H	-2.1984000	8.4606950	14.2474070
C	-1.8219260	10.4771720	13.5777120
H	-2.6646130	10.9040260	14.1145850
C	-0.9875620	11.2949770	12.8141510
H	-1.1774670	12.3631630	12.7501270
C	0.0982720	10.7474420	12.1287350
H	0.7397360	11.4016400	11.5469830
C	2.9238080	10.0567220	11.0650660
C	3.3832880	10.6830570	12.2387960
H	3.0125590	10.3565070	13.2069370
C	4.3062110	11.7257760	12.1716000
H	4.6511700	12.1997600	13.0866550
C	4.7874540	12.1580540	10.9318730
H	5.5088620	12.9688640	10.8800640
C	4.3388510	11.5424770	9.7633920
H	4.7094500	11.8705290	8.7961070
C	3.4105420	10.4985410	9.8269120
H	3.0820750	10.0168990	8.9132790
H	1.3298120	5.9511580	10.3289690
61
Compound 3E
W	1.2987690	7.4795450	9.1408680
W	2.9072480	6.4030540	11.6766820
W	1.3753130	4.3059340	9.9259310
P	1.8675010	8.5799370	11.2097400
N	2.8963740	7.7939010	8.4031920
N	2.0237700	6.3560780	13.2413010
O	3.8967090	8.0810130	7.7985890
O	1.5985370	6.3141300	14.3583170
O	1.0534370	1.2305610	10.6495370
O	4.1331600	3.6944290	8.4003490
O	2.5836710	3.4407040	12.7474070
O	-1.3206040	5.1578310	11.4334490
O	-0.3469910	3.4091600	7.3832080
C	1.1663600	2.3512930	10.3895850
C	3.1462620	3.9206540	8.9569050
C	2.2809740	4.1057660	11.8259080
C	-0.3409510	4.8601540	10.8938730
C	0.2852760	3.7404370	8.2904610
C	0.1757100	8.9152810	7.6385910
H	0.7621070	9.6184400	7.0614450
C	-0.1446770	7.5784080	7.2524230
H	0.1376870	7.0953200	6.3267730
C	-0.9556720	7.0140720	8.2883210
H	-1.3679060	6.0152330	8.2859280
C	-1.1115960	7.9707580	9.3155490
H	-1.6587840	7.8396060	10.2381870
C	-0.3997790	9.1525970	8.9184470
H	-0.3565890	10.0769780	9.4772920
C	5.0130810	5.2151990	11.4266250
H	5.0360530	4.1466830	11.2624800
C	4.9752270	5.8544300	12.6966160
H	4.9518700	5.3563460	13.6569760
C	4.9447000	7.2643630	12.4734110
H	4.9380200	8.0330250	13.2337030
C	4.9861610	7.4805520	11.0579360
H	4.9887090	8.4386500	10.5598250
C	5.0262290	6.2209330	10.4122190
H	5.0548860	6.0635860	9.3441420
C	0.4543150	9.1637480	12.2503580
C	-0.4404440	8.2425180	12.8196620
H	-0.2703170	7.1801630	12.7075710
C	-1.5553520	8.6814180	13.5348040
H	-2.2271720	7.9496560	13.9746030
C	-1.8021050	10.0468730	13.6901730
H	-2.6695070	10.3864630	14.2495590
C	-0.9255910	10.9720850	13.1221060
H	-1.1077470	12.0378390	13.2326710
C	0.1930060	10.5368250	12.4086730
H	0.8632090	11.2732890	11.9785710
C	2.9866070	10.0505750	11.2074730
C	3.4879880	10.5396960	12.4278190
H	3.1844030	10.0739120	13.3619780
C	4.3592310	11.6281460	12.4519800
H	4.7362450	11.9957370	13.4026460
C	4.7469050	12.2431710	11.2576730
H	5.4289390	13.0887420	11.2765560
C	4.2551100	11.7659920	10.0427530
H	4.5525360	12.2373620	9.1100030
C	3.3777190	10.6773830	10.0159330
H	3.0128380	10.3050310	9.0651500
H	1.5084530	5.7610570	8.7379680
61
Compound 3E'
W	1.3290530	7.3395890	9.2088860
W	2.9495950	6.4238820	11.8529230
W	1.4052760	4.2518720	9.9634100
P	1.8807530	8.5186320	11.3008770
N	2.9423630	7.7406990	8.5393510
N	1.9896580	6.2566860	13.3581580
O	3.9458740	8.0769320	7.9754450
O	1.4924020	6.1238430	14.4406600
O	-0.4162270	2.6798470	7.9046320
O	4.2220990	3.0470600	9.0228720
O	1.2506260	1.5787700	11.7043620
O	-1.2550520	5.2767940	11.4361730
O	2.0470340	5.2080450	7.0162060
C	0.2641190	3.2459920	8.6556220
C	3.1989570	3.4858560	9.3342420
C	1.2985820	2.5520190	11.0869700
C	-0.2889070	4.9605640	10.8824030
C	1.7576690	5.3289930	8.1507960
C	0.2500640	8.8021830	7.6882760
H	0.8661280	9.4578770	7.0865190
C	-0.1507610	7.4820490	7.3349490
H	0.0929050	6.9667080	6.4165690
C	-0.9708240	6.9771530	8.3972210
H	-1.4287390	5.9978270	8.4211320
C	-1.0456310	7.9548180	9.4102260
H	-1.5707580	7.8682790	10.3506730
C	-0.2741370	9.0907810	8.9789180
H	-0.1787640	10.0241070	9.5151930
C	5.0154790	5.1669470	11.7019370
H	4.9993940	4.0934780	11.5754800
C	4.9789330	5.8564360	12.9431890
H	4.9331020	5.4004190	13.9235770
C	4.9891440	7.2575890	12.6661610
H	4.9945920	8.0520200	13.3995800
C	5.0575250	7.4205340	11.2435170
H	5.0935240	8.3594990	10.7100020
C	5.0708150	6.1330480	10.6496440
H	5.1074480	5.9267000	9.5894660
C	0.4506580	9.1505420	12.2896300
C	-0.4256640	8.2525960	12.9219670
H	-0.2423050	7.1880200	12.8727080
C	-1.5375490	8.7194230	13.6237300
H	-2.1954790	8.0066190	14.1128450
C	-1.7997020	10.0888440	13.7027180
H	-2.6653430	10.4498400	14.2513060
C	-0.9405670	10.9899790	13.0731390
H	-1.1337270	12.0582060	13.1258150
C	0.1753900	10.5272490	12.3726320
H	0.8343630	11.2455260	11.8967460
C	2.9438620	10.0263230	11.1579190
C	3.5171270	10.5524990	12.3309390
H	3.3063860	10.0859200	13.2899750
C	4.3407440	11.6760560	12.2784440
H	4.7736810	12.0703540	13.1939250
C	4.6089740	12.2921780	11.0523080
H	5.2547870	13.1648950	11.0102650
C	4.0437820	11.7810790	9.8845190
H	4.2471790	12.2531940	8.9272230
C	3.2133130	10.6569660	9.9360930
H	2.7872320	10.2659980	9.0196310
H	2.3956060	4.7800230	11.4779310
58
Compound 7
W	-1.0808370	8.7915360	5.2643160
W	0.6606450	10.6194560	3.2123660
Co	-1.6708940	11.3548200	4.7476350
P	0.0521710	8.2152440	3.2046620
N	0.4033120	8.6212860	6.2510140
N	0.0831530	10.8069770	1.5213600
O	1.2968810	8.4387410	7.0279200
O	-0.1445020	10.9922690	0.3614540
O	-0.2084400	11.2394800	7.2518940
O	-0.4953800	13.5317850	3.3445510
O	-3.7727420	10.6408990	2.7965620
O	-3.0647050	13.5969400	6.0054870
C	-0.7332280	10.9396340	6.2431160
C	-0.5402050	12.3997420	3.6733890
C	-2.9277460	10.8806820	3.5452460
C	-2.4999780	12.7289920	5.5034310
C	-2.7366290	8.1333250	6.8312680
H	-2.7160020	8.5409750	7.8332870
C	-2.0630020	6.9544430	6.3877370
H	-1.4207900	6.3278200	6.9930160
C	-2.3565660	6.7736720	5.0086550
H	-2.0042010	5.9674350	4.3806730
C	-3.2533770	7.8151940	4.6025720
H	-3.6586310	7.9468220	3.6093960
C	-3.4883420	8.6445020	5.7249310
H	-4.1232270	9.5181370	5.7533300
C	2.8349410	9.9216960	3.9985390
H	3.0463980	8.8853380	4.2171100
C	2.4041230	10.8937950	4.9406970
H	2.2123500	10.7175030	5.9898370
C	2.2478750	12.1283490	4.2471260
H	1.9227640	13.0632450	4.6820360
C	2.5864850	11.9241760	2.8772000
H	2.5716950	12.6770080	2.1001430
C	2.9496990	10.5493180	2.7191250
H	3.2852210	10.0778510	1.8052250
C	-1.0019470	7.5193950	1.8543120
C	-1.8933910	8.3303640	1.1343680
H	-1.9231210	9.3968030	1.3094060
C	-2.7420090	7.7755480	0.1745530
H	-3.4168840	8.4239880	-0.3770560
C	-2.7185680	6.4035670	-0.0809870
H	-3.3783760	5.9748160	-0.8302640
C	-1.8375160	5.5866520	0.6298540
H	-1.8081190	4.5171090	0.4388250
C	-0.9856380	6.1377380	1.5881020
H	-0.3007150	5.4881720	2.1237020
C	1.4652380	7.0255220	3.2314200
C	1.7849750	6.2687390	4.3668480
H	1.1879280	6.3653330	5.2666070
C	2.8814200	5.4004370	4.3540800
H	3.1189740	4.8243900	5.2442860
C	3.6650050	5.2743050	3.2072940
H	4.5166300	4.5996300	3.1991860
C	3.3501750	6.0202540	2.0670410
H	3.9546820	5.9254540	1.1689430
C	2.2605850	6.8897220	2.0785330
H	2.0203830	7.4629720	1.1866430



