110
2-Zn
Pd    0.0993046   -0.5936630   -0.4455627 
P    -2.2343325   -0.6141368   -0.4959318 
P     2.3390149   -0.6499647    0.1858398 
N    -0.3631349    3.2196941    2.3549880 
N    -0.0877540    3.3821818   -0.3994747 
C    -0.5105796    4.5014922    0.2412824 
N     1.7918146    1.5268629    1.7936415 
C     3.8449496    0.4440043    2.4060821 
H     4.5781084   -0.3599825    2.2482828 
C     2.7024990    0.5390192    1.5875893 
C    -1.1957341    2.5939738    3.3959077 
H    -1.6317193    3.3459167    4.0965824 
H    -0.5360312    1.9350478    4.0058913 
C     0.3916633    4.6905876   -2.3695156 
H     0.7599090    4.7194797   -3.4064437 
C    -0.4928443    5.7572872   -0.3873979 
H    -0.8338773    6.6516080    0.1583737 
C    -3.2096437    0.1293676   -1.9336673 
H    -2.8897174   -0.5251069   -2.7801765 
C     4.0346949    1.3760683    3.4394537 
H     4.9147282    1.3051139    4.0990150 
C     3.0428720   -4.8120664    0.3742727 
H     2.8800580   -5.5798442   -0.4136207 
H     4.1328669   -4.8334176    0.6092728 
C    -2.3856136   -3.0351900    0.9867221 
H    -1.2691477   -3.0146591    0.9885189 
H    -2.7119431   -2.4555361    1.8798362 
C     2.0217272   -2.6660403    2.1576026 
H     0.9357540   -2.6426137    1.8991970 
H     2.1765258   -1.8947368    2.9459558 
C     2.8389854   -2.3233980    0.8914974 
H     3.9182628   -2.2623562    1.1656293 
C     3.2596566    1.0044357   -1.9342650 
H     2.2099377    0.9135171   -2.2979755 
H     3.2985904    1.8916823   -1.2567431 
C     2.6766458   -3.4231032   -0.1857632 
H     1.6159863   -3.4304242   -0.5377585 
H     3.3067141   -3.2054518   -1.0763141 
C     2.3936351   -4.0573560    2.7064908 
H     3.4485154   -4.0391115    3.0681469 
H     1.7642361   -4.2840936    3.5954898 
N    -1.9846783    1.1142284    1.6254208 
C     4.2186249    1.2238734   -3.1214450 
H     3.9545619    2.1693103   -3.6460000 
H     4.0690776    0.4034385   -3.8615651 
C     6.0498507   -0.0197105   -1.8840940 
H     5.9919695   -0.9085025   -2.5547476 
H     7.1000445    0.0302174   -1.5217795 
C    -2.7390416    1.5639480   -2.2538193 
H    -1.6335049    1.5745000   -2.3800649 
H    -2.9764370    2.2321139   -1.3908954 
C     1.9795488    2.4508288    2.7645959 
C    -2.2940999    1.7359577    2.7860178 
C    -3.4267593    2.1090513   -3.5220501 
H    -3.0985658    3.1568191   -3.7037968 
H    -3.0831808    1.5159775   -4.4016897 
C    -2.4811555   -5.3227012   -0.1305408 
H    -1.3701758   -5.4252766   -0.1645286 
H    -2.8869208   -6.3541799   -0.0448629 
C    -2.8919614   -2.3705726   -0.3134334 
H    -4.0045218   -2.3121017   -0.2762584 
C    -4.4598615    0.6709221    2.8197410 
H    -5.4421360    0.4971088    3.2885913 
C     0.9817346    3.5993897    2.8245625 
H     0.9576537    4.0399559    3.8486535 
H     1.3607994    4.4014242    2.1509039 
C     0.3531786    3.4758007   -1.6734907 
H     0.6903636    2.5357741   -2.1397046 
C    -4.7475583    0.0604343   -1.8185946 
H    -5.0903401   -0.9819288   -1.6342887 
H    -5.0803522    0.6745355   -0.9487158 
C    -2.8602111    0.2569153    1.0391527 
C    -0.0396031    5.8541427   -1.7127743 
H    -0.0184348    6.8301872   -2.2241399 
C     3.6318727   -0.2653375   -1.1383362 
H     3.5004857   -1.1363517   -1.8249268 
C    -2.8780909   -4.4910336    1.0996456 
H    -3.9881720   -4.4954240    1.2096954 
H    -2.4719636   -4.9466298    2.0297128 
C     3.0918493    2.3979404    3.6214625 
H     3.2164766    3.1479746    4.4189051 
C    -2.4913957   -3.2060021   -1.5547509 
H    -1.3783272   -3.1896321   -1.6589813 
H    -2.9046413   -2.7586124   -2.4854434 
C     5.1053677   -0.2289095   -0.6816685 
H     5.3829082   -1.1662212   -0.1494590 
H     5.2496943    0.6127969    0.0350693 
C     2.2375534   -5.1511106    1.6378500 
H     2.5581644   -6.1347606    2.0446650 
H     1.1587487   -5.2585328    1.3718355 
C    -4.1201246    0.0202490    1.6221192 
H    -4.8310174   -0.6746073    1.1511287 
C    -2.9745279   -4.6646888   -1.4283153 
H    -4.0893196   -4.6822573   -1.4539934 
H    -2.6344106   -5.2413894   -2.3163864 
C    -5.4228298    0.6042816   -3.0959572 
H    -5.1840963   -0.0697218   -3.9509627 
H    -6.5272828    0.5708406   -2.9700002 
C    -3.5338465    1.5398506    3.4159271 
H    -3.7660677    2.0544038    4.3619920 
C    -1.0561747    4.3124178    1.6465149 
H    -1.0174116    5.2724413    2.2128119 
H    -2.1323807    4.0364007    1.5690618 
C     5.6891087    1.2484464   -2.6736012 
H     5.8694929    2.1461975   -2.0360701 
H     6.3559957    1.3532494   -3.5568400 
C    -4.9586915    2.0331230   -3.4195163 
H    -5.3130576    2.7283153   -2.6215621 
H    -5.4238900    2.3828455   -4.3667904 
Zn   -0.0734898    1.5924794    0.7498535 

110
2-Li
Pd    0.0820113   -0.7284771   -0.4354954 
P    -2.2267979   -0.7160786   -0.4612558 
P     2.3020723   -0.7307957    0.1773170 
N    -0.3235061    3.2845439    2.2233075 
N    -0.0926559    3.5488894   -0.5387302 
C    -0.4929967    4.6393160    0.1556344 
N     1.8016931    1.5073123    1.6896021 
C     3.7179866    0.2939879    2.5030643 
H     4.4065948   -0.5592310    2.4146837 
C     2.6527952    0.4572065    1.5907996 
C    -1.1228312    2.6417206    3.2686942 
H    -1.5387896    3.3750670    4.0065476 
H    -0.4442422    1.9696112    3.8430453 
C     0.3782849    4.9653532   -2.4452536 
H     0.7333954    5.0440309   -3.4846476 
C    -0.4679630    5.9322584   -0.4003104 
H    -0.7892824    6.7988414    0.2001075 
C    -3.1840863    0.0219661   -1.9216603 
H    -2.8947984   -0.6615900   -2.7558749 
C     3.8837201    1.2275393    3.5373775 
H     4.6978770    1.1087753    4.2711280 
C     3.2763400   -4.8472981    0.2512412 
H     3.1888687   -5.5945115   -0.5690440 
H     4.3541348   -4.8234075    0.5391237 
C    -2.4916154   -3.0720281    1.0879666 
H    -1.3762402   -3.0963934    1.0582708 
H    -2.7661210   -2.4488080    1.9687849 
C     2.0653171   -2.8282598    2.0582314 
H     0.9927867   -2.8509620    1.7499385 
H     2.1382885   -2.0783334    2.8782573 
C     2.9117796   -2.3886095    0.8421293 
H     3.9734578   -2.2764319    1.1652190 
C     3.2152849    1.0907876   -1.7924165 
H     2.1622729    1.0299016   -2.1514435 
H     3.2494818    1.9109648   -1.0355387 
C     2.8615105   -3.4587648   -0.2737525 
H     1.8217905   -3.5042587   -0.6781107 
H     3.5199486   -3.1732288   -1.1241264 
C     2.4878801   -4.2159236    2.5763815 
H     3.5255564   -4.1585384    2.9833243 
H     1.8344913   -4.5107915    3.4282079 
N    -1.9476860    1.1162619    1.5529603 
C     4.1658461    1.4299926   -2.9564111 
H     3.8906774    2.4172481   -3.3918471 
H     4.0288286    0.6785598   -3.7696583 
C     6.0148046    0.1011633   -1.8391028 
H     5.9677688   -0.7192716   -2.5939245 
H     7.0661972    0.1316528   -1.4755508 
C    -2.6448497    1.4261272   -2.2684444 
H    -1.5384547    1.3814739   -2.3825266 
H    -2.8509180    2.1212727   -1.4196478 
C     1.9738750    2.4246822    2.6675247 
C    -2.2404269    1.7817847    2.6911932 
C    -3.2994592    1.9828087   -3.5477012 
H    -2.9195201    3.0099925   -3.7486581 
H    -2.9885941    1.3564471   -4.4169036 
C    -2.7146834   -5.3880112    0.0537357 
H    -1.6096399   -5.5312174   -0.0105275 
H    -3.1559468   -6.4010408    0.1856148 
C    -3.0011264   -2.4216186   -0.2180912 
H    -4.1077873   -2.3040930   -0.1511667 
C    -4.4209971    0.7502794    2.8049280 
H    -5.3994337    0.6096518    3.2932752 
C     1.0386427    3.6278717    2.6453343 
H     1.0623373    4.1518735    3.6339548 
H     1.4446876    4.3506311    1.9007257 
C     0.3320440    3.7165145   -1.8058839 
H     0.6526492    2.8013575   -2.3329962 
C    -4.7224808    0.0325222   -1.8122641 
H    -5.1163032   -0.9890972   -1.6115023 
H    -5.0261362    0.6727008   -0.9507719 
C    -2.8436015    0.2455910    1.0299975 
C    -0.0299117    6.0973707   -1.7231867 
H    -0.0021549    7.0994756   -2.1816752 
C     3.5979014   -0.2446579   -1.1192615 
H     3.4692304   -1.0484361   -1.8838110 
C    -3.0406848   -4.5000637    1.2656551 
H    -4.1472968   -4.4559780    1.4044059 
H    -2.6266859   -4.9441936    2.1985435 
C     2.9981181    2.3112307    3.6261019 
H     3.0979964    3.0604099    4.4282649 
C    -2.6809351   -3.3195590   -1.4368874 
H    -1.5731431   -3.3520211   -1.5748909 
H    -3.1035790   -2.8837031   -2.3690676 
C     5.0715326   -0.2358888   -0.6656764 
H     5.3601544   -1.2189362   -0.2307598 
H     5.2075258    0.5269870    0.1368003 
C     2.4350806   -5.2758219    1.4639356 
H     2.7858975   -6.2591675    1.8485188 
H     1.3755473   -5.4217034    1.1444019 
C    -4.1030632    0.0444392    1.6338796 
H    -4.8264333   -0.6632821    1.2017991 
C    -3.2219220   -4.7504651   -1.2494329 
H    -4.3372927   -4.7222588   -1.2366167 
H    -2.9355718   -5.3725580   -2.1267624 
C    -5.3712648    0.5890522   -3.0973948 
H    -5.1647794   -0.1088545   -3.9423290 
H    -6.4771996    0.6159426   -2.9752339 
C    -3.4746072    1.6297097    3.3502599 
H    -3.6850646    2.1862878    4.2778811 
C    -1.0233736    4.3879218    1.5591551 
H    -1.0012285    5.3349224    2.1562387 
H    -2.0959295    4.0983934    1.4732600 
C     5.6369179    1.4326319   -2.5081129 
H     5.8016669    2.2676174   -1.7862718 
H     6.3048015    1.6312678   -3.3757727 
C    -4.8339112    1.9868655   -3.4462713 
H    -5.1496431    2.7105483   -2.6570865 
H    -5.2835729    2.3458849   -4.3986396 
Li   -0.0671301    1.7311269    0.6596508 

110
2-Cu
Pd    0.0926070   -0.6720178   -0.4781425 
P    -2.2127209   -0.6793071   -0.4713919 
P     2.3036045   -0.6937178    0.1497333 
N    -0.3491862    3.3220062    2.3530381 
N    -0.1398209    3.4097174   -0.4377131 
C    -0.5028236    4.5483179    0.2106778 
N     1.7506990    1.5043288    1.7255827 
C     3.7310424    0.3292476    2.4491852 
H     4.4354462   -0.5049626    2.3166539 
C     2.6350448    0.4801137    1.5744687 
C    -1.1482071    2.6275451    3.3561592 
H    -1.5929171    3.3178504    4.1185169 
H    -0.4631000    1.9441354    3.9092869 
C     0.3767628    4.7266012   -2.4038387 
H     0.7340617    4.7445761   -3.4452353 
C    -0.4331964    5.8085945   -0.4057022 
H    -0.7273127    6.7097526    0.1569076 
C    -3.1931041    0.0527360   -1.9200382 
H    -2.9213224   -0.6441569   -2.7493176 
C     3.9131175    1.2411120    3.4989825 
H     4.7527030    1.1265291    4.2035663 
C     3.2119610   -4.8261996    0.2463887 
H     3.1078128   -5.5769372   -0.5686801 
H     4.2916135   -4.8180215    0.5281962 
C    -2.4653536   -3.0415295    1.0744712 
H    -1.3495919   -3.0537745    1.0545264 
H    -2.7544541   -2.4227435    1.9536408 
C     2.0459097   -2.7752948    2.0473240 
H     0.9708783   -2.7799550    1.7470624 
H     2.1386444   -2.0220691    2.8620946 
C     2.8915921   -2.3579439    0.8230765 
H     3.9570209   -2.2605255    1.1385461 
C     3.2282218    1.0717784   -1.8678858 
H     2.1884188    0.9687235   -2.2531029 
H     3.2194020    1.9221644   -1.1444412 
C     2.8164762   -3.4345443   -0.2850769 
H     1.7732400   -3.4662255   -0.6819235 
H     3.4733275   -3.1659131   -1.1421594 
C     2.4471004   -4.1670752    2.5712974 
H     3.4877282   -4.1251608    2.9724874 
H     1.7933713   -4.4451775    3.4284785 
N    -1.9184734    1.1123643    1.5905255 
C     4.2006711    1.3868870   -3.0207167 
H     3.9167514    2.3511887   -3.4996532 
H     4.0967335    0.6031250   -3.8081281 
C     6.0478740    0.1371834   -1.8139737 
H     6.0313804   -0.7124918   -2.5370057 
H     7.0904451    0.2006587   -1.4297875 
C    -2.6529749    1.4480919   -2.2974575 
H    -1.5506688    1.3919245   -2.4330618 
H    -2.8333611    2.1553531   -1.4533690 
C     1.9492298    2.4157646    2.7132826 
C    -2.2451388    1.7755710    2.7295763 
C    -3.3273653    1.9899662   -3.5727815 
H    -2.9469245    3.0128731   -3.7933635 
H    -3.0321259    1.3511375   -4.4383934 
C    -2.6541170   -5.3583121    0.0350766 
H    -1.5469412   -5.4890990   -0.0197352 
H    -3.0850903   -6.3764046    0.1617182 
C    -2.9706528   -2.3949012   -0.2347469 
H    -4.0790388   -2.2893022   -0.1767878 
C    -4.4429463    0.7672287    2.7690939 
H    -5.4365995    0.6349332    3.2271535 
C     1.0219358    3.6279580    2.7442616 
H     1.0875686    4.1237833    3.7456354 
H     1.4200874    4.3637366    2.0081229 
C     0.2882529    3.5083010   -1.7157700 
H     0.5739374    2.5597904   -2.1991523 
C    -4.7297953    0.0720567   -1.7882595 
H    -5.1257874   -0.9436711   -1.5632508 
H    -5.0178097    0.7300419   -0.9352932 
C    -2.8200671    0.2600226    1.0310621 
C     0.0088926    5.9041210   -1.7351398 
H     0.0696819    6.8835141   -2.2366644 
C     3.6223051   -0.2258078   -1.1307042 
H     3.5273045   -1.0625902   -1.8645884 
C    -3.0002394   -4.4757741    1.2452963 
H    -4.1084101   -4.4439063    1.3745742 
H    -2.5895276   -4.9167597    2.1811330 
C     3.0074001    2.3038180    3.6301099 
H     3.1184077    3.0467963    4.4367280 
C    -2.6306463   -3.2873819   -1.4521888 
H    -1.5212680   -3.3074583   -1.5811413 
H    -3.0499583   -2.8551334   -2.3875535 
C     5.0857002   -0.1695540   -0.6477944 
H     5.3828676   -1.1273838   -0.1645367 
H     5.1908099    0.6296196    0.1230403 
C     2.3703996   -5.2330199    1.4661461 
H     2.7068110   -6.2196246    1.8552499 
H     1.3068803   -5.3631572    1.1529795 
C    -4.0944568    0.0698825    1.6029848 
H    -4.8109906   -0.6264578    1.1421640 
C    -3.1570474   -4.7246007   -1.2715727 
H    -4.2727568   -4.7091112   -1.2685400 
H    -2.8560140   -5.3419206   -2.1473781 
C    -5.3951738    0.6091662   -3.0731093 
H    -5.2013223   -0.1015838   -3.9102960 
H    -6.4992487    0.6398384   -2.9359099 
C    -3.4999514    1.6334186    3.3426513 
H    -3.7277880    2.1890035    4.2669150 
C    -1.0400399    4.3832478    1.6265449 
H    -1.0162574    5.3676775    2.1588452 
H    -2.1130571    4.0923498    1.5539096 
C     5.6608816    1.4352025   -2.5408502 
H     5.7940194    2.2994285   -1.8473985 
H     6.3441798    1.6142818   -3.4006180 
C    -4.8599392    2.0006216   -3.4491121 
H    -5.1622772    2.7356932   -2.6652957 
H    -5.3223863    2.3479407   -4.3997255 
Cu   -0.0914713    1.6672667    0.7103242 

58
3-Zn
Pd    0.2216801   -2.0785480   -1.2846043 
P    -2.0969178   -2.0453627   -1.3315100 
P     2.4548159   -2.0746072   -0.6815877 
N    -0.2590224    1.7732879    1.4674061 
N    -0.0673436    1.7973267   -1.3181891 
C    -0.4494964    2.9534085   -0.7170292 
N     1.8892017    0.0644780    0.9483955 
C     3.9497277   -1.0075252    1.5586321 
C     2.8012032   -0.9215250    0.7526840 
C    -1.0948363    1.1839744    2.5307737 
C     0.3242596    2.9838546   -3.3803761 
C    -0.4480151    4.1715415   -1.4160352 
C    -3.0151060   -1.1135615   -2.6439587 
C     4.1403086   -0.0622436    2.5813716 
C     3.0700323   -3.7203883   -0.1058519 
N    -1.8555958   -0.3693280    0.8107942 
C     2.0814384    1.0067769    1.9002945 
C    -2.1687147    0.2678499    1.9606091 
C    -2.8903944   -3.7141669   -1.3584644 
C    -4.2897719   -0.8853691    2.0510013 
C     1.0878865    2.1613581    1.9298296 
C     0.3100007    1.8098308   -2.6172083 
C    -2.7127930   -1.2594941    0.2503540 
C    -0.0591875    4.1873837   -2.7657607 
C     3.7311516   -1.5468927   -1.9177565 
C     3.1981523    0.9629491    2.7528190 
C    -3.9506579   -1.5392942    0.8530854 
C    -3.3908072    0.0328589    2.6137837 
C    -0.9477935    2.8446682    0.7170138 
Zn    0.0275266    0.1078867   -0.0756235 
H     4.6924327   -1.8044863    1.3997031 
H    -1.5541833    1.9622167    3.1856915 
H    -0.4301141    0.5729943    3.1837939 
H     0.6362275    2.9525786   -4.4356418 
H    -0.7534161    5.1003728   -0.9079576 
H    -2.7493108   -1.5487715   -3.6320351 
H    -2.7058291   -0.0477599   -2.6392884 
H    -4.1154498   -1.1817997   -2.5016893 
H     5.0243285   -0.1221608    3.2368255 
H    -2.5652175   -4.2340282   -2.2859580 
H    -4.0005391   -3.6552716   -1.3651548 
H    -5.2551816   -1.0905493    2.5417757 
H     1.0643510    2.6300733    2.9409820 
H     1.4723181    2.9425991    1.2347977 
H     0.6058204    0.8364186   -3.0455249 
H    -0.0531108    5.1334135   -3.3310781 
H     3.6535711   -2.2113211   -2.8058621 
H     4.7601149   -1.6159859   -1.5025377 
H     3.5346420   -0.5043915   -2.2444984 
H     3.3303478    1.7256109    3.5369831 
H    -4.6504208   -2.2584595    0.4001677 
H    -3.6308664    0.5565612    3.5528806 
H    -2.0318138    2.5909125    0.6861630 
H    -0.8729383    3.8309006    1.2314228 
H     2.9298015   -4.4478234   -0.9348190 
H     2.4736411   -4.0677283    0.7638764 
H     4.1490986   -3.7013028    0.1605329 
H    -2.5492355   -4.3139399   -0.4884430 

58
3-Li
Pd    0.1857815   -2.3050440   -1.1837570 
P    -2.1017449   -2.1316268   -1.2627035 
P     2.4062910   -2.1809788   -0.6368260 
N    -0.2214946    1.8195613    1.3525549 
N    -0.0507588    1.8499882   -1.4441520 
C    -0.3900643    3.0055647   -0.8256429 
N     1.8942849    0.0172581    0.8804603 
C     3.6977025   -1.2801997    1.8146797 
H     4.3506860   -2.1650297    1.7741382 
C     2.7056029   -1.0642644    0.8367506 
C    -1.0365610    1.2502045    2.4285408 
H    -1.4899663    2.0332196    3.0889539 
H    -0.3590685    0.6508138    3.0798750 
C     0.4212758    3.0874831   -3.4691044 
H     0.7480915    3.0711273   -4.5204902 
C    -0.3284152    4.2477513   -1.4846797 
H    -0.5987030    5.1730113   -0.9501659 
C    -2.8969812   -1.0784129   -2.5764753 
H    -2.6579806   -1.5130717   -3.5711388 
C     3.8384741   -0.3450436    2.8524504 
H     4.5960624   -0.4963918    3.6389558 
C     3.2882386   -3.7508351   -0.1916510 
H     4.3723154   -3.6015322    0.0068334 
N    -1.8338086   -0.3565406    0.7716179 
C     2.0451469    0.9358618    1.8591188 
C    -2.1170381    0.3071881    1.9102465 
C    -3.1224714   -3.6774967   -1.3463294 
H    -4.2153054   -3.4754170   -1.3868398 
C    -4.2069285   -0.8832868    2.1448201 
H    -5.1448876   -1.0903962    2.6860130 
C     1.1450107    2.1628883    1.7656894 
H     1.1743019    2.7399407    2.7234623 
H     1.5717054    2.8317442    0.9833513 
C     0.3445490    1.8955265   -2.7316172 
H     0.6098145    0.9251979   -3.1890897 
C    -2.6960187   -1.2856602    0.2973192 
C     0.0790116    4.2881456   -2.8276006 
H     0.1331795    5.2490806   -3.3649498 
C     3.5789523   -1.4229314   -1.8700401 
H     3.5504330   -2.0263097   -2.8028315 
C     3.0056310    0.7841997    2.8767978 
H     3.0951283    1.5357771    3.6777621 
C    -3.9017533   -1.5785599    0.9622033 
H    -4.5971518   -2.3362156    0.5698634 
C    -3.3062842    0.0754323    2.6292425 
H    -3.5149314    0.6308500    3.5579057 
C    -0.9006133    2.8830992    0.6042129 
H    -0.8467468    3.8750897    1.1197117 
H    -1.9812210    2.6164090    0.5556488 
Li    0.0253873    0.1892135   -0.1296152 
H    -4.0010532   -1.0256331   -2.4529386 
H    -2.4699258   -0.0545119   -2.5341931 
H     3.1814578   -4.4512994   -1.0476949 
H     2.8028094   -4.2182384    0.6909188 
H    -2.8902754   -4.3279574   -0.4768789 
H    -2.8320798   -4.2265561   -2.2679488 
H     3.2416140   -0.3931378   -2.1113397 
H     4.6212933   -1.3890484   -1.4834041 

58
3-Cu
Pd    0.1935920   -2.3098559   -1.1722865 
P    -2.0872118   -2.1094674   -1.2475005 
P     2.4121880   -2.1552461   -0.6459433 
N    -0.2393058    1.8679491    1.4399306 
N    -0.0854040    1.7224585   -1.3808394 
C    -0.3917117    2.9184298   -0.8104426 
N     1.8343218   -0.0064798    0.9276615 
C     3.7085094   -1.2587868    1.7915047 
H     4.3838955   -2.1243634    1.7161637 
C     2.6834903   -1.0648370    0.8467547 
C    -1.0557385    1.2647337    2.4885072 
H    -1.5337707    2.0214185    3.1619432 
H    -0.3736725    0.6611973    3.1310657 
C     0.3996005    2.8562467   -3.4631590 
H     0.7150033    2.7815408   -4.5155804 
C    -0.3003681    4.1220948   -1.5289389 
H    -0.5450276    5.0759184   -1.0335116 
C    -2.8333179   -0.9972945   -2.5399367 
H    -2.5759701   -1.3966465   -3.5445233 
C     3.8612718   -0.3332741    2.8357757 
H     4.6435278   -0.4741663    3.5991650 
C     3.3587971   -3.7009157   -0.2515343 
H     4.4397063   -3.5182420   -0.0629619 
N    -1.7966967   -0.3732440    0.8212052 
C     2.0170021    0.9242964    1.8987899 
C    -2.1193684    0.3200743    1.9392097 
C    -3.1512390   -3.6227177   -1.3818449 
H    -4.2377105   -3.3900726   -1.4307651 
C    -4.2468862   -0.8219996    2.1030018 
H    -5.2096176   -1.0000734    2.6091005 
C     1.1368078    2.1692624    1.8246128 
H     1.2066681    2.7396469    2.7843914 
H     1.5654347    2.8299684    1.0362488 
C     0.2972975    1.6994794   -2.6779026 
H     0.5256601    0.7017587   -3.0917081 
C    -2.6753873   -1.2788908    0.3160268 
C     0.0981124    4.0950175   -2.8757676 
H     0.1741860    5.0290768   -3.4553974 
C     3.5383966   -1.3191165   -1.8711972 
H     3.5136398   -1.8919741   -2.8232130 
C     3.0105091    0.7822364    2.8816125 
H     3.1141488    1.5403956    3.6748316 
C    -3.9111186   -1.5307691    0.9381681 
H    -4.6113453   -2.2687830    0.5176852 
C    -3.3409724    0.1235765    2.6057795 
H    -3.5707062    0.6997369    3.5167998 
C    -0.9045558    2.8836170    0.6267207 
H    -0.8457304    3.9084564    1.0728726 
H    -1.9867852    2.6217760    0.5912411 
Cu    0.0200813    0.1070723   -0.1004027 
H    -3.9388255   -0.9281316   -2.4408467 
H    -2.3847389    0.0129739   -2.4395824 
H     3.2655869   -4.3825456   -1.1243080 
H     2.9022634   -4.2081575    0.6245784 
H    -2.9478252   -4.3015118   -0.5268742 
H    -2.8642046   -4.1560852   -2.3138561 
H     3.1601631   -0.2945067   -2.0702619 
H     4.5853511   -1.2622548   -1.5002618 

72
4-Li
Pd    0.4972127   -1.4145237    0.3220925 
Si    1.3242241   -4.5545485   -1.0386889 
H     0.9377484   -3.1779083   -0.4188784 
P    -1.7220586   -1.6262961    0.9046514 
P     2.5396765   -0.3521485    0.3321523 
Li   -0.3846230    1.2496535    0.0617994 
N    -1.0433045    3.3771535    0.4241865 
N    -1.1267902    1.7509902   -1.8586242 
C    -1.7875260    2.9315062   -1.9053987 
N     1.4828786    2.1495058    0.4810892 
C     3.6571821    2.0739026    1.5126817 
C     2.5811114    1.4520978    0.8451793 
C    -1.5153577    3.4059499    1.8093637 
C    -1.2738415    1.5861059   -4.2676783 
C    -2.2104986    3.4984444   -3.1224197 
C    -3.0084434   -1.6876974   -0.4465677 
C     3.5772346    3.4466341    1.7930502 
C     3.8357050   -1.1233654    1.4180981 
N    -1.8585048    1.0007296    1.5647422 
C     1.4122681    3.4774474    0.7204626 
C    -2.2315787    2.1219249    2.2124688 
C    -2.1958823   -3.1072413    1.9214573 
C    -3.7107451    0.8601987    3.6465587 
C     0.1642989    4.1772685    0.1952731 
C    -0.8778219    1.1001546   -3.0117527 
C    -2.3820108   -0.1952995    1.9193749 
C    -1.9533361    2.8131888   -4.3203379 
C     3.4570946   -0.2118153   -1.2882537 
C     2.4422887    4.1661017    1.3863838 
C    -3.3174514   -0.3051609    2.9666622 
C    -3.1681360    2.0949771    3.2645801 
C    -2.1021705    3.5868632   -0.5663849 
H     4.5471004    1.4997768    1.8122144 
H    -2.1607859    4.2944148    2.0299932 
H    -0.6200051    3.5061731    2.4659384 
H    -1.0479330    1.0153490   -5.1819345 
H    -2.7361351    4.4671668   -3.1291443 
H    -2.7925195   -2.5592455   -1.1014012 
H    -2.9384542   -0.7662296   -1.0622708 
H    -4.0382678   -1.7805199   -0.0366269 
H     4.3981488    3.9550757    2.3253159 
H    -1.8730722   -4.0144794    1.3673401 
H    -3.2901805   -3.1786488    2.1071200 
H    -4.4420787    0.8035870    4.4697410 
H     0.0885583    5.2098311    0.6205363 
H     0.2827105    4.2980058   -0.9056787 
H    -0.3353968    0.1418355   -2.9159373 
H    -2.2759517    3.2370379   -5.2853845 
H     3.6030701   -1.2338546   -1.7000629 
H     4.4467395    0.2819676   -1.1689318 
H     2.8431852    0.3683135   -2.0090497 
H     2.3529138    5.2455238    1.5892793 
H    -3.7394854   -1.2805912    3.2521116 
H    -3.4562902    3.0248302    3.7812784 
H    -3.0277300    3.1119369   -0.1674485 
H    -2.3466132    4.6692591   -0.7165138 
H     3.9126681   -2.1964371    1.1405734 
H     3.5160085   -1.0697017    2.4803518 
H     4.8392691   -0.6579473    1.3033010 
H    -1.6504958   -3.0888689    2.8887410 
C     0.0724638   -5.8441626   -0.4303919 
H     0.0789861   -5.9245609    0.6795738 
H    -0.9626313   -5.5912424   -0.7519615 
H     0.3117323   -6.8522085   -0.8395822 
C     1.2550226   -4.3757633   -2.9261142 
H     0.2353463   -4.0914372   -3.2694677 
H     1.9645692   -3.5984868   -3.2878152 
H     1.5232763   -5.3346578   -3.4252346 
C     3.0767526   -4.9904040   -0.4561087 
H     3.1341204   -5.0385621    0.6543701 
H     3.3889372   -5.9836338   -0.8514498 
H     3.8236045   -4.2432347   -0.8065919 

72
4-Cu
Pd    0.4879032   -1.3921076    0.2837016 
Si    1.3376306   -4.5561230   -0.8977154 
H     0.9756909   -3.2085410   -0.2005077 
P    -1.7378405   -1.5994900    0.8357055 
P     2.5278313   -0.3324237    0.2388949 
Cu   -0.3453663    1.1539079    0.1171282 
N    -1.0643540    3.4478059    0.5008031 
N    -1.1041290    1.6976654   -1.7351767 
C    -1.7449310    2.8933893   -1.8262466 
N     1.4450523    2.1400285    0.5356020 
C     3.6835688    2.0628320    1.4285922 
C     2.5748111    1.4463162    0.8193150 
C    -1.5235752    3.4126039    1.8824610 
C    -1.1796010    1.4912776   -4.1458970 
C    -2.1137895    3.4390653   -3.0674190 
C    -2.9970043   -1.5932722   -0.5394049 
C     3.6186536    3.4304294    1.7394540 
C     3.8880640   -1.1310645    1.2209720 
N    -1.8246284    0.9984057    1.5931558 
C     1.3996944    3.4749281    0.7731591 
C    -2.2426276    2.1152005    2.2328706 
C    -2.2472013   -3.1075375    1.7955675 
C    -3.8189749    0.8346422    3.5491321 
C     0.1582526    4.2082677    0.2755298 
C    -0.8344205    1.0175901   -2.8725274 
C    -2.3952870   -0.1976725    1.8829392 
C    -1.8310195    2.7305584   -4.2467100 
C     3.3457966   -0.1176868   -1.4241942 
C     2.4644198    4.1500282    1.3923662 
C    -3.3963778   -0.3166147    2.8635494 
C    -3.2422840    2.0702620    3.2205209 
C    -2.1015655    3.5877239   -0.5146425 
H     4.5919985    1.4858114    1.6596579 
H    -2.1702399    4.2860561    2.1546635 
H    -0.6203220    3.4807996    2.5321398 
H    -0.9362459    0.8962061   -5.0400571 
H    -2.6233007    4.4157368   -3.1056593 
H    -2.7681889   -2.4283883   -1.2357837 
H    -2.9085713   -0.6377924   -1.0972221 
H    -4.0341625   -1.7066068   -0.1545009 
H     4.4645843    3.9329618    2.2361866 
H    -1.9247068   -4.0015215    1.2203113 
H    -3.3451852   -3.1724656    1.9613030 
H    -4.6001719    0.7692069    4.3239140 
H     0.1239244    5.2367212    0.7166352 
H     0.2708732    4.3438153   -0.8246032 
H    -0.3208255    0.0491204   -2.7384029 
H    -2.1131539    3.1429802   -5.2288642 
H     3.4653496   -1.1184163   -1.8926840 
H     4.3409207    0.3719591   -1.3406435 
H     2.6881415    0.4955391   -2.0754430 
H     2.3859209    5.2294143    1.6009356 
H    -3.8508625   -1.2932130    3.0898132 
H    -3.5550849    2.9952500    3.7319586 
H    -3.0219594    3.1021388   -0.1166982 
H    -2.3751977    4.6542657   -0.7194600 
H     3.9608402   -2.1915287    0.8978824 
H     3.6241855   -1.1222825    2.2997924 
H     4.8793883   -0.6489554    1.0728763 
H    -1.7184755   -3.1244651    2.7722205 
C     0.1249664   -5.8776689   -0.2819665 
H     0.1675383   -5.9864008    0.8246167 
H    -0.9235056   -5.6346615   -0.5650427 
H     0.3675876   -6.8703703   -0.7253658 
C     1.1708882   -4.2950183   -2.7687743 
H     0.1335055   -4.0033023   -3.0463974 
H     1.8567432   -3.4971874   -3.1317498 
H     1.4180703   -5.2291182   -3.3227228 
C     3.1193644   -4.9992298   -0.4219075 
H     3.2368846   -5.0791965    0.6817728 
H     3.4112071   -5.9799049   -0.8620533 
H     3.8448853   -4.2406828   -0.7916564 

72
4-Zn
Pd         0.43696       -1.30005        0.18475
Si         1.28099       -4.37860       -0.92378
H          0.94645       -3.11736       -0.03884
P         -1.77091       -1.65549        0.80922
P          2.55543       -0.36751        0.26247
Zn        -0.31366        1.11186        0.14430
N         -1.01147        3.34022        0.53366
N         -1.04763        1.72820       -1.74596
C         -1.73541        2.89653       -1.80258
N          1.50475        2.15571        0.51820
C          3.84102        2.11094        1.06221
C          2.65632        1.46135        0.67229
C         -1.51818        3.34476        1.91615
C         -1.19756        1.51151       -4.14368
C         -2.17299        3.42574       -3.02823
C         -3.09367       -1.93998       -0.46040
C          3.81280        3.49529        1.30225
C          3.58545       -1.15224        1.58588
N         -1.89256        0.96300        1.57903
C          1.47124        3.49504        0.70165
C         -2.29934        2.07668        2.22603
C         -1.96896       -3.09944        1.94931
C         -3.97009        0.79967        3.41480
C          0.16963        4.19759        0.34162
C         -0.78506        1.05165       -2.88682
C         -2.48246       -0.23348        1.80568
C         -1.90359        2.72364       -4.21422
C          3.65105       -0.45378       -1.23317
C          2.61442        4.20036        1.11444
C         -3.54021       -0.34777        2.72505
C         -3.34540        2.03095        3.16334
C         -2.06498        3.56058       -0.47387
H          4.78107        1.55036        1.18449
H         -2.13693        4.24673        2.14002
H         -0.63848        3.38771        2.59908
H         -0.96377        0.93067       -5.04920
H         -2.72309        4.38012       -3.05195
H         -2.81590       -2.83067       -1.06459
H         -3.15867       -1.06549       -1.14103
H         -4.08561       -2.11677        0.00924
H          4.72434        4.02258        1.62764
H         -1.60071       -4.00535        1.42251
H         -3.02744       -3.26922        2.24302
H         -4.79434        0.73302        4.14348
H          0.08397        5.16460        0.89088
H          0.22716        4.46061       -0.73935
H         -0.22451        0.10751       -2.76942
H         -2.23911        3.12275       -5.18515
H          3.76206       -1.52065       -1.52420
H          4.65884       -0.02788       -1.03621
H          3.18098        0.09075       -2.07879
H          2.56718        5.28852        1.28002
H         -4.03001       -1.31621        2.90902
H         -3.66355        2.94488        3.69001
H         -3.00462        3.10502       -0.08614
H         -2.28494        4.64368       -0.62622
H          3.64177       -2.24220        1.37799
H          3.09887       -1.01259        2.57404
H          4.61904       -0.74466        1.61777
H         -1.34704       -2.95172        2.85722
C          0.03757       -5.71568       -0.43848
H          0.09494       -5.96331        0.64447
H         -1.00864       -5.42565       -0.68105
H          0.25511       -6.65212       -1.00150
C          1.09303       -3.85358       -2.73069
H          0.05549       -3.52087       -2.95667
H          1.78885       -3.02821       -2.99981
H          1.31989       -4.71159       -3.40374
C          3.05287       -4.87018       -0.49027
H          3.16214       -5.10114        0.59251
H          3.33843       -5.78779       -1.05380
H          3.79136       -4.08154       -0.75590

72
5-Zn
Pd    0.5132554   -1.4451256    0.4578940 
Si    0.9472583   -3.4651131   -0.9290060 
Zn   -0.2825818    1.0187567    0.3551662 
H     0.3518054   -0.1530616    1.5731263 
P    -1.7522442   -1.9172706    0.8523483 
P     2.6893144   -0.5898453    0.2661736 
N    -0.9686714    3.1447284    0.6178491 
N    -0.8178217    1.4540970   -1.6203073 
C    -1.4345211    2.6522016   -1.7889779 
N     1.5952971    1.9648577    0.5890331 
C     3.9279348    1.8897617    1.1120031 
C     2.7409185    1.2541352    0.7076600 
C    -1.6905369    3.1481081    1.9101527 
C    -0.7397681    1.1478843   -4.0111298 
C    -1.7130410    3.1546590   -3.0705230 
C    -2.8934085   -2.1731027   -0.5831483 
C     3.8963237    3.2602140    1.4297368 
C     3.8472780   -1.3459372    1.4878146 
N    -2.0507768    0.7683946    1.4990571 
C     1.5497495    3.2854037    0.8622017 
C    -2.5177732    1.8777786    2.1084951 
C    -2.1075609   -3.3123889    2.0041497 
C    -4.2529413    0.5703175    3.1565971 
C     0.2339633    4.0135596    0.5826210 
C    -0.4796372    0.7180512   -2.7036841 
C    -2.5976234   -0.4486684    1.7077221 
C    -1.3629152    2.3926714   -4.1971669 
C     3.6312032   -0.5567011   -1.3276146 
C     2.6937700    3.9707366    1.3092071 
C    -3.7273515   -0.5785913    2.5353028 
C    -3.6395539    1.8161475    2.9533448 
C    -1.8835134    3.3708438   -0.5266366 
H     4.8733644    1.3323025    1.1975595 
H    -2.3318535    4.0533022    2.0280590 
H    -0.9295916    3.1883165    2.7231769 
H    -0.4518771    0.5167359   -4.8659110 
H    -2.2067220    4.1330109   -3.1840857 
H    -2.5732595   -3.0729961   -1.1484732 
H    -2.8388406   -1.2950703   -1.2603179 
H    -3.9427136   -2.3091765   -0.2423363 
H     4.8109026    3.7690385    1.7752853 
H    -1.6670163   -4.2348165    1.5738284 
H    -3.1976335   -3.4746060    2.1431690 
H    -5.1358125    0.4875925    3.8111235 
H     0.1273152    4.8848260    1.2682523 
H     0.3125859    4.4431309   -0.4417324 
H     0.0116236   -0.2487119   -2.4990135 
H    -1.5745792    2.7695199   -5.2109253 
H     3.7690120   -1.5953140   -1.6931234 
H     4.6274713   -0.0822371   -1.1943616 
H     3.0571163    0.0118022   -2.0891895 
H     2.6447665    5.0434657    1.5556178 
H    -4.1995079   -1.5569948    2.7102022 
H    -4.0196671    2.7219567    3.4522803 
H    -2.8814614    2.9642901   -0.2446054 
H    -2.0363722    4.4565820   -0.7267166 
H     3.9087513   -2.4335039    1.2751757 
H     3.4440233   -1.2108259    2.5134105 
H     4.8689391   -0.9145616    1.4252084 
H    -1.6259213   -3.1181173    2.9858731 
C    -0.2185320   -4.9544864   -0.6374715 
H    -0.1230851   -5.3646969    0.3927790 
H    -1.2944596   -4.7642069   -0.8420269 
H     0.0951170   -5.7682816   -1.3323913 
C     0.8218597   -3.0128505   -2.7852292 
H    -0.2069039   -2.6955370   -3.0681498 
H     1.5289843   -2.2078948   -3.0847739 
H     1.0661764   -3.9099756   -3.4006662 
C     2.6767585   -4.2150535   -0.5953245 
H     2.7980948   -4.5130540    0.4704093 
H     2.7724913   -5.1454071   -1.2021179 
H     3.5346267   -3.5649989   -0.8719288 

62
6-Li
Pd    0.2216833   -2.1082504   -1.1509600 
P    -2.0211169   -2.0564145   -0.8407316 
P     2.2838725   -2.1378640   -0.1248681 
N    -0.2012507    2.1521818    1.3783009 
N     0.0041816    1.8654249   -1.3914215 
C    -0.3772095    3.0780198   -0.9297415 
N     1.8489593    0.2241650    1.1350034 
C     3.3985858   -1.1231094    2.3904079 
C     2.5476269   -0.9267305    1.2777316 
C    -1.0058974    1.7002151    2.5082065 
C     0.3432827    2.8114276   -3.5851052 
C    -0.3860147    4.2167700   -1.7539975 
C    -3.0514888   -1.1048783   -2.0842469 
C     3.5291697   -0.0972202    3.3361948 
C     2.9959484   -3.7172340    0.5639672 
N    -1.7617660   -0.1108198    1.0417693 
C     1.9898939    1.2257651    2.0267976 
C    -2.0207907    0.6194627    2.1405903 
C    -2.9996836   -3.6408424   -0.7491655 
C    -3.9421967   -0.7472949    2.6641938 
C     1.1817922    2.4831221    1.7256724 
C     0.3648729    1.7308478   -2.6856241 
C    -2.5599448   -1.1581116    0.7124514 
C    -0.0275802    4.0759892   -3.1076669 
C     3.6860765   -1.5851812   -1.2305996 
C     2.8243514    1.1059995    3.1531024 
C    -3.6657675   -1.5079902    1.5171544 
C    -3.1176439    0.3412134    2.9827058 
C    -0.8703064    3.1246962    0.5132970 
Li    0.0563603    0.3249718   -0.0062827 
H     3.9580009   -2.0635874    2.5102925 
H    -1.5198963    2.5433116    3.0406400 
H    -0.3112412    1.2504701    3.2554032 
H     0.6102174    2.6250781   -4.6368351 
H    -0.6811895    5.1974727   -1.3447303 
H    -2.8974746   -1.5642981   -3.0849560 
H    -2.6737624   -0.0621880   -2.1393758 
H    -4.1369394   -1.0982930   -1.8350183 
H     4.1840349   -0.2294634    4.2142696 
H    -2.7672931   -4.2247035   -1.6656805 
H    -4.1009813   -3.4832974   -0.7020154 
H    -4.8047095   -0.9985592    3.3047434 
H     1.2578273    3.2073205    2.5787199 
H     1.6367274    2.9805472    0.8395924 
H     0.6679074    0.7149617   -3.0194022 
H    -0.0415991    4.9524314   -3.7775987 
H     3.7146652   -2.2686813   -2.1060844 
H     4.6718101   -1.5784418   -0.7133180 
H     3.4477107   -0.5732538   -1.6186390 
H     2.9108522    1.9325605    3.8773928 
H    -4.3113266   -2.3578416    1.2473725 
H    -3.3060237    0.9577597    3.8769036 
H    -1.9534825    2.8626724    0.5089073 
H    -0.8047705    4.1721172    0.9106457 
H     2.9204498   -4.4854547   -0.2358081 
H     2.3827229   -4.0631842    1.4232306 
H     4.0638630   -3.6335117    0.8692818 
H    -2.6649527   -4.2372626    0.1261449 
O     0.9409697   -1.3786895   -3.1696763 
C     0.3110670   -1.3716742   -4.2984025 
H    -0.1103749   -2.3849073   -4.6168112 
O     0.1391919   -0.3977412   -5.0463237 

62
6-Zn
Pd    0.3041072   -1.8947194   -1.1264268 
P    -2.0066142   -1.8317703   -1.1298644 
P     2.4607480   -1.7371347   -0.4419981 
N    -0.2807681    2.0423196    1.7151849 
N    -0.0601643    2.0218547   -1.0729925 
C    -0.4534887    3.1783474   -0.4906224 
N     1.9040021    0.3778984    1.2098258 
C     3.9641721   -0.6747647    1.8346067 
C     2.8259184   -0.5921504    1.0106928 
C    -1.1223455    1.4331633    2.7529978 
C     0.3406991    3.1837382   -3.1461047 
C    -0.4508252    4.3905386   -1.2022116 
C    -2.9178348   -0.9332918   -2.4710223 
C     4.1182151    0.2509313    2.8802904 
C     3.1057695   -3.3787775    0.1123063 
N    -1.8653737   -0.1018885    1.0176338 
C     2.0620197    1.3060142    2.1751393 
C    -2.2023854    0.5425123    2.1532321 
C    -2.8756988   -3.4642138   -1.0572383 
C    -4.3492747   -0.5548129    2.1575730 
C     1.0486399    2.4447341    2.1900885 
C     0.3235950    2.0186610   -2.3671627 
C    -2.7056623   -0.9776271    0.4187934 
C    -0.0503574    4.3926132   -2.5482851 
C     3.7539112   -1.1834307   -1.6561108 
C     3.1581263    1.2605555    3.0542927 
C    -3.9782309   -1.2157296    0.9753534 
C    -3.4505688    0.3385916    2.7629329 
C    -0.9695706    3.0807184    0.9381406 
Zn    0.0505942    0.2138876    0.0868618 
H     4.7193576   -1.4592412    1.6705085 
H    -1.5809083    2.1932274    3.4337447 
H    -0.4622169    0.7974654    3.3869381 
H     0.6577184    3.1392925   -4.1993745 
H    -0.7652192    5.3230244   -0.7060356 
H    -2.6282592   -1.4438094   -3.4136833 
H    -2.5913341    0.1268704   -2.5099834 
H    -4.0193691   -0.9810834   -2.3285945 
H     4.9874500    0.1888380    3.5554003 
H    -2.5947473   -3.9852284   -1.9960187 
H    -3.9813502   -3.3602886   -1.0104985 
H    -5.3391408   -0.7357885    2.6080760 
H     1.0133542    2.9178637    3.2014511 
H     1.4313112    3.2281281    1.4963495 
H     0.6181617    1.0357199   -2.7770668 
H    -0.0432994    5.3321635   -3.1244082 
H     3.6780316   -1.8522964   -2.5407074 
H     4.7827737   -1.2382718   -1.2371294 
H     3.5422442   -0.1443694   -1.9849628 
H     3.2603915    2.0066361    3.8589184 
H    -4.6772443   -1.9160557    0.4936107 
H    -3.7117275    0.8640658    3.6955580 
H    -2.0469848    2.8029333    0.8871961 
H    -0.9297287    4.0824224    1.4313224 
H     2.8826098   -4.0833983   -0.7189259 
H     2.5450028   -3.7204840    1.0076734 
H     4.1977173   -3.3778136    0.3228253 
H    -2.5110135   -4.0501221   -0.1873032 
O     0.7946887   -3.6946377   -2.3207622 
C    -0.0458448   -3.8989291   -3.2727817 
H     0.2173162   -4.7809770   -3.9283466 
O    -1.0810953   -3.2526243   -3.5288964 

59
7-Li
Pd    0.2431411   -2.1549599   -1.4898199 
Li    0.0266878    0.2374674   -0.1900814 
P    -2.0286593   -2.0870069   -1.1272728 
P     2.3737205   -2.0716972   -0.6114776 
N    -0.2155896    1.9967608    1.2713966 
N    -0.1053734    1.8315276   -1.5367395 
C    -0.3997911    3.0302310   -0.9867509 
N     1.8990376    0.1488006    0.8390040 
C     3.2782637   -1.3953234    2.0869244 
C     2.5649839   -1.0419315    0.9110764 
C    -1.0153821    1.4904348    2.3845751 
C     0.3356775    2.9068893   -3.6510370 
C    -0.3217582    4.2234670   -1.7294716 
C    -2.9479304   -0.9980660   -2.3375655 
C     3.3383435   -0.4886322    3.1484092 
C     3.3346751   -3.6190691   -0.2099838 
N    -1.7812503   -0.2381162    0.8296259 
C     1.9619486    1.0239781    1.8604609 
C    -1.9999273    0.3912922    1.9929182 
C    -3.0741386   -3.6280640   -1.2138000 
C    -3.8075057   -1.1162315    2.5427368 
C     1.1712088    2.3084589    1.6395299 
C     0.2524029    1.7663043   -2.8341875 
C    -2.5516533   -1.3082586    0.4716421 
C     0.0495065    4.1581008   -3.0828774 
C     3.5915029   -1.2042304   -1.7331440 
C     2.6787451    0.7588888    3.0402318 
C    -3.5768718   -1.7786298    1.3306870 
C    -3.0213434   -0.0019808    2.8870610 
C    -0.8840577    3.0097287    0.4596608 
H     3.7974871   -2.3638603    2.1542700 
H    -1.5503557    2.3087203    2.9350432 
H    -0.3094229    1.0440563    3.1232025 
H     0.6276903    2.8091773   -4.7086573 
H    -0.5504591    5.1904158   -1.2514609 
H    -2.7351098   -1.3773168   -3.3612925 
H    -2.5352767    0.0304533   -2.2678818 
H    -4.0460565   -0.9737187   -2.1513211 
H     3.9058748   -0.7389710    4.0607795 
H    -2.8473174   -4.1315246   -2.1783113 
H    -4.1671084   -3.4197871   -1.1707416 
H    -4.6118205   -1.4577698    3.2169281 
H     1.2405052    2.9761607    2.5369365 
H     1.6281920    2.8579285    0.7861710 
H     0.4689042    0.7469073   -3.2139911 
H     0.1186407    5.0792744   -3.6854533 
H     3.5813063   -1.7296409   -2.7134120 
H     4.6237739   -1.1729001   -1.3152456 
H     3.2252580   -0.1695878   -1.9018574 
H     2.7149867    1.4977233    3.8570865 
H    -4.1987062   -2.6402218    1.0426269 
H    -3.1769169    0.5395536    3.8341297 
H    -1.9675899    2.7506232    0.4412565 
H    -0.8130880    4.0395511    0.9005238 
H     3.3240693   -4.2617518   -1.1166810 
H     2.8270003   -4.1778022    0.6047108 
H     4.3937900   -3.4194920    0.0703262 
H    -2.7904166   -4.3213545   -0.3938583 
H     0.4535529   -1.6649783   -3.0955574 

59
7-Zn
Pd    0.2127825   -2.2255289   -1.2876475 
P    -2.0485035   -2.0203735   -1.3064823 
P     2.3607769   -2.0995417   -0.5908076 
N    -0.2784045    1.8536439    1.4611854 
N    -0.0324049    1.9196128   -1.3088752 
C    -0.4892237    3.0412527   -0.7061651 
N     1.8903157    0.1604988    0.9439220 
C     3.9651079   -0.8669664    1.5472163 
C     2.7939353   -0.8283208    0.7650899 
C    -1.0718312    1.2410151    2.5309225 
C     0.3708354    3.1595708   -3.3370613 
C    -0.5307138    4.2716102   -1.3855189 
C    -2.8939624   -1.0137815   -2.6276791 
C     4.1665626    0.1143207    2.5314764 
C     3.0120800   -3.6609845    0.1716736 
N    -1.8727472   -0.2911920    0.8182242 
C     2.0814048    1.1303753    1.8612960 
C    -2.1528866    0.3145545    1.9865554 
C    -3.0357482   -3.5894956   -1.3630087 
C    -4.2298973   -0.9023494    2.1397466 
C     1.0653288    2.2674123    1.8788332 
C     0.3849623    1.9736232   -2.5906049 
C    -2.7055440   -1.2088244    0.2781369 
C    -0.0976139    4.3308515   -2.7197418 
C     3.6747867   -1.6988222   -1.8450557 
C     3.2105475    1.1283886    2.6982290 
C    -3.9161758   -1.5291730    0.9208246 
C    -3.3377621    0.0312987    2.6889071 
C    -1.0065128    2.8850182    0.7156560 
Zn    0.0454356    0.0223986   -0.2290822 
H     4.7142539   -1.6601044    1.4001127 
H    -1.5226986    1.9997457    3.2194400 
H    -0.3790762    0.6265101    3.1509706 
H     0.7231772    3.1613515   -4.3801237 
H    -0.8990050    5.1744417   -0.8716749 
H    -2.6221206   -1.4467252   -3.6145351 
H    -2.5276512    0.0329020   -2.5940460 
H    -4.0002117   -1.0270351   -2.5162267 
H     5.0664618    0.0885163    3.1678562 
H    -2.7297798   -4.1215985   -2.2890642 
H    -4.1368685   -3.4314762   -1.3803514 
H    -5.1684385   -1.1472361    2.6639555 
H     1.0655592    2.7660042    2.8791528 
H     1.4211967    3.0348218    1.1537823 
H     0.7374290    1.0185659   -3.0196923 
H    -0.1222061    5.2851133   -3.2706983 
H     3.6085153   -2.4547650   -2.6568404 
H     4.6959346   -1.7188059   -1.4050588 
H     3.4817767   -0.6979457   -2.2848098 
H     3.3425414    1.9118456    3.4621425 
H    -4.6076598   -2.2660542    0.4855063 
H    -3.5525650    0.5253821    3.6502243 
H    -2.0724998    2.5669203    0.6569777 
H    -1.0042480    3.8751303    1.2352560 
H     2.9003848   -4.4584489   -0.5929768 
H     2.3791300   -3.9379815    1.0411969 
H     4.0771824   -3.5969578    0.4855816 
H    -2.7519016   -4.2342485   -0.5046486 
H     0.3484575   -3.7779596   -1.9115731 
