121
 FF_1(FM)
N    -2.5639702   -2.3295872    0.4653910
N    -0.2903550   -1.7435422    2.2319982
O    -1.5937671    0.1955680   -0.4607960
O     1.2926361   -0.5544981    0.1519140
C    -2.8937753    0.6236561   -0.5537080
C    -3.2633003    1.9867742   -0.6534001
C    -4.6473624    2.2411122   -0.7514071
H    -4.9730174    3.2780273   -0.8340571
C    -5.6506585    1.2579491   -0.7622571
C    -5.2357345   -0.0750950   -0.6464301
C    -3.8771613   -0.3726560   -0.5318330
C    -3.6488233   -1.8635842   -0.4996570
H    -3.2864293   -2.2135692   -1.4859381
C    -2.5641912   -3.8213693    0.4800050
H    -2.6662692   -4.1827644   -0.5493780
H    -3.4018393   -4.2070184    1.0852501
H    -1.6174791   -4.2102874    0.8795271
C    -2.7656602   -1.7979982    1.8444592
H    -3.7087683   -2.1778562    2.2752012
H    -2.8538863   -0.7031531    1.7718592
C    -1.6147061   -2.2127182    2.7496342
H    -1.5712421   -3.3074743    2.8295103
H    -1.7941302   -1.8299362    3.7662533
C     0.7774361   -2.6714462    2.6955232
H     1.7470782   -2.3336852    2.3085472
H     0.5564130   -3.6761973    2.3129902
H     0.8290711   -2.7141992    3.7962613
C    -0.0200430   -0.3131640    2.7174942
H    -0.7827601    0.3032680    2.2064332
C     1.3684801    0.1772570    2.3823742
C     1.9598942    0.8336801    3.4607233
C     3.2509453    1.3641711    3.3320243
C     3.8944783    1.1849001    2.0961242
H     4.9055324    1.5821901    2.0043702
C     3.3289233    0.5441890    0.9735091
C     2.0111152    0.0568050    1.1443651
C     3.9216313    2.0951352    4.4683214
H     4.0035764    1.4573621    5.3647605
H     4.9343624    2.4198342    4.1910634
H     3.3474913    2.9903183    4.7619064
C    -7.1071776    1.6233391   -0.9035841
H    -7.5446357    1.1761401   -1.8122542
H    -7.6987707    1.2566291   -0.0477290
H    -7.2410066    2.7124212   -0.9654081
Zr   -0.4494330   -1.3707841   -0.2244730
C    -6.0538025   -1.3436751   -0.7014601
H    -6.9665666   -1.3073361   -0.0871870
H    -6.3789806   -1.5409251   -1.7385932
C    -5.0677524   -2.4323412   -0.2187880
H    -5.1950145   -2.5730962    0.8668531
H    -5.2358235   -3.4057443   -0.6994351
C    -0.1066620   -0.1090260    4.2597844
H    -1.1021371    0.2293430    4.5797654
H     0.0948270   -1.0646331    4.7695714
C     1.0045981    0.9047921    4.6271814
H     1.4748981    0.6701411    5.5946815
H     0.5902251    1.9243722    4.7177034
C    -0.0236480   -2.2067472   -2.2924212
H    -0.7194361   -2.0854842   -3.1333023
H     0.9505731   -1.7426462   -2.5239582
C     0.0900290   -3.5789923   -1.7696402
C    -0.6990221   -4.6619464   -2.2402122
C     0.9368691   -3.8276943   -0.6539931
C    -0.6061461   -5.9231375   -1.6613301
H    -1.3498781   -4.5030894   -3.1038503
C     1.0213941   -5.1076645   -0.0716140
H     1.6520701   -3.0544493   -0.3396660
C     0.2495660   -6.1549665   -0.5674911
H    -1.1929901   -6.7484146   -2.0714482
H     1.7245412   -5.2837085    0.7455821
H     0.3269000   -7.1529156   -0.1326670
C     4.1115244    0.3892600   -0.3391120
C     4.2536764   -1.1152581   -0.7061981
C     3.3861393    1.1252911   -1.5010891
C     5.5424825    0.9770971   -0.2400560
H     3.2532693   -1.5697591   -0.7887961
H     4.7880864   -1.6375211    0.1075040
C     5.0111894   -1.2887011   -2.0365502
H     3.3141953    2.1988232   -1.2550051
H     2.3574112    0.7447661   -1.6014681
C     4.1483894    0.9392911   -2.8274072
H     6.0985445    0.4779930    0.5731040
H     5.4899515    2.0512172    0.0098940
C     6.3093546    0.8020741   -1.5653261
H     5.0799014   -2.3647852   -2.2703812
C     4.2503884   -0.5608240   -3.1608693
C     6.4239076   -0.6945281   -1.9037452
H     3.5992013    1.4611021   -3.6293393
C     5.5620735    1.5316511   -2.6954402
H     7.3169276    1.2337181   -1.4472511
H     3.2403493   -0.9943311   -3.2806083
H     4.7732074   -0.7006751   -4.1227144
H     6.9855756   -1.2228581   -1.1132561
H     6.9845636   -0.8297011   -2.8446913
H     6.1123785    1.4234841   -3.6460273
H     5.5019075    2.6123902   -2.4772242
C    -2.2410382    3.1320073   -0.6612901
C    -2.9204803    4.5190004   -0.7938631
C    -1.4276281    3.1372573    0.6639651
C    -1.2577051    2.9775973   -1.8564002
H    -3.6247443    4.6746194    0.0424690
H    -3.5066273    4.5613144   -1.7285502
C    -1.8773112    5.6530945   -0.7953981
H    -0.9210711    2.1670472    0.7884341
H    -2.1231982    3.2640543    1.5133311
C    -0.3804390    4.2678584    0.6594341
H    -1.8320192    2.9992623   -2.7993622
H    -0.7538621    2.0002072   -1.8020742
C    -0.2094420    4.1074184   -1.8471712
H    -2.4058382    6.6157666   -0.8925941
C    -1.0872051    5.6271235    0.5247120
C    -0.9142121    5.4679065   -1.9810262
H     0.1860270    4.2327214    1.6059181
C     0.5818651    4.0663484   -0.5259990
H     0.4792700    3.9590183   -2.6960982
H    -1.7677592    5.7901505    1.3792761
H    -0.3463410    6.4450996    0.5403650
H    -1.4695861    5.5170185   -2.9341073
H    -0.1709930    6.2838126   -1.9971102
H     1.3534371    4.8559194   -0.5234220
H     1.1063981    3.1003643   -0.4259770
121
 FF_3(FF)
N    -0.0705200   -1.0471891    1.9247692
N     0.0211110    1.9669262    1.1839861
O    -1.9266222   -0.0581870   -0.0345910
O     1.9980622    0.4753400   -0.1872060
C    -2.9540293   -0.5752611    0.7022671
C    -4.3238004   -0.2770680    0.4774750
C    -5.2420585   -0.8878711    1.3574251
H    -6.3018655   -0.6702981    1.2259631
C    -4.9029574   -1.7797402    2.3868392
C    -3.5439193   -2.0812142    2.5431642
C    -2.5917412   -1.4762961    1.7198632
C    -1.2147481   -2.0491412    1.9920872
H    -0.9598991   -2.7918372    1.2149061
C     1.2027831   -1.7122882    2.3234832
H     2.0452572   -1.0277961    2.1611652
H     1.3470531   -2.6062162    1.7054972
H     1.1712521   -2.0043982    3.3859323
C    -0.3269470    0.1137310    2.8440152
H    -0.0584240   -0.1707380    3.8752343
H    -1.4094191    0.3073370    2.8285643
C     0.4603200    1.3716351    2.4840142
H     1.5387161    1.1662121    2.4069192
H     0.3229750    2.1009252    3.3016183
C    -1.3193341    2.5982722    1.3416921
H    -2.0791952    1.8389902    1.5542951
H    -1.5859731    3.1015073    0.4031370
H    -1.3014731    3.3414993    2.1551952
C     0.9882001    3.0363453    0.6955911
H     0.6262901    3.2709473   -0.3253880
C     2.4391772    2.6211192    0.6456121
C     3.2705053    3.6741163    1.0292051
C     4.6609914    3.5207623    0.9746621
C     5.1436135    2.2895762    0.5045000
H     6.2261395    2.1764622    0.4568320
C     4.3437704    1.2080471    0.0768550
C     2.9405053    1.4007331    0.1690940
C     5.5981675    4.6306674    1.3802701
H     5.4357315    4.9310744    2.4292622
H     6.6484386    4.3241134    1.2754211
H     5.4444065    5.5303455    0.7606501
C    -5.9581895   -2.4059612    3.2642503
H    -5.7938505   -2.1620092    4.3275664
H    -6.9636056   -2.0569472    2.9896143
H    -5.9472335   -3.5060593    3.1818393
Zr    0.0535070    0.0003400   -0.2212060
C    -2.8947593   -3.0850483    3.4662993
H    -3.2663223   -3.0376233    4.5014644
H    -3.0922713   -4.1110674    3.1072103
C    -1.3903411   -2.7488442    3.3671193
H    -1.1293801   -2.0453722    4.1744944
H    -0.7479021   -3.6333773    3.4769523
C     1.0252901    4.3327644    1.5521641
H     0.2482890    5.0544654    1.2660351
H     0.8641631    4.0715304    2.6109532
C     2.4553732    4.8926494    1.3892071
H     2.8073992    5.4080305    2.2959022
H     2.4964892    5.6318695    0.5692381
C    -0.0427780   -0.5384680   -2.4394662
H    -0.8738131   -0.1586480   -3.0465643
H     0.9429801   -0.2965550   -2.8631913
C    -0.1805580   -1.9124982   -1.9646612
C    -1.3713991   -2.6824782   -2.0938702
C     0.8583821   -2.4540812   -1.1549561
C    -1.4648931   -3.9511163   -1.5410411
H    -2.2005052   -2.2782212   -2.6767162
C     0.7609041   -3.7569993   -0.6168451
H     1.8200432   -1.9293322   -1.1085011
C    -0.3933320   -4.5056934   -0.8081531
H    -2.3747022   -4.5362644   -1.6915591
H     1.6127471   -4.1837434   -0.0820120
H    -0.4684150   -5.5194085   -0.4104520
C     4.9981764   -0.0604080   -0.4966800
C     6.5467866    0.0243130   -0.4666800
C     4.5888444   -1.3236191    0.3081630
C     4.5717224   -0.2571720   -1.9797202
H     6.8942376    0.1607530    0.5725510
H     6.8845146    0.9025881   -1.0431971
C     7.1918726   -1.2420121   -1.0589201
H     3.4911143   -1.4181321    0.3042060
H     4.9036364   -1.2024641    1.3604211
C     5.2279175   -2.5927772   -0.2924870
H     4.8740614    0.6301601   -2.5627452
H     3.4726203   -0.3247300   -2.0430442
C     5.2159925   -1.5264311   -2.5727792
H     8.2877667   -1.1322201   -1.0124551
C     6.7604216   -2.4714212   -0.2410070
C     6.7486006   -1.4031611   -2.5233402
H     4.9054254   -3.4690603    0.2968380
C     4.7827464   -2.7592572   -1.7579972
H     4.8845174   -1.6386501   -3.6187473
H     7.1004536   -2.3715362    0.8048671
H     7.2280277   -3.3843883   -0.6480241
H     7.0806846   -0.5348210   -3.1187513
H     7.2165797   -2.2984152   -2.9676933
H     5.2333085   -3.6715283   -2.1857002
H     3.6879923   -2.8904163   -1.8189652
C    -4.8222294    0.5868491   -0.6957021
C    -4.4064324   -0.0741900   -2.0414372
C    -6.3662805    0.7260731   -0.7045391
C    -4.2236044    2.0178532   -0.6526101
H    -4.8396434   -1.0887831   -2.0936372
H    -3.3104013   -0.1811850   -2.0683352
C    -4.8815814    0.7692571   -3.2407033
H    -6.7067046    1.1980321    0.2341010
H    -6.8327246   -0.2728850   -0.7564191
C    -6.8460856    1.5666381   -1.9034812
H    -3.1266793    1.9455392   -0.6735261
H    -4.5111894    2.5068472    0.2957190
C    -4.7021524    2.8579813   -1.8526162
H    -4.5619414    0.2748370   -4.1738434
C    -6.4152166    0.8866211   -3.2149303
C    -4.2587894    2.1756932   -3.1604633
H    -7.9456017    1.6361521   -1.8653982
C    -6.2349115    2.9761373   -1.8255512
H    -4.2507154    3.8631643   -1.7873442
H    -6.8743076   -0.1145000   -3.2935553
H    -6.7675916    1.4728011   -4.0810714
H    -3.1557323    2.1067462   -3.1992503
H    -4.5730964    2.7798252   -4.0288264
H    -6.5854986    3.5910833   -2.6722002
H    -6.5611656    3.4829123   -0.9001981
121
 FF_4(FF)
N     0.1196820    2.1866462    0.7626791
N     0.1652020   -0.4913050    2.0911852
O     2.0807982    0.2624070   -0.1980620
O    -1.8087262   -0.3521540    0.0715420
C     3.0544113    1.1750581    0.1025200
C     4.4390364    0.8615261    0.1408540
C     5.3071865    1.9152492    0.4951750
H     6.3750605    1.7050902    0.5516270
C     4.9072294    3.2334593    0.7597411
C     3.5379813    3.5115873    0.6615831
C     2.6304642    2.4940062    0.3550810
C     1.2317871    3.0626413    0.2004150
H     0.9801081    3.1562743   -0.8679251
C    -1.1917751    2.8656313    0.5508841
H    -2.0024782    2.2195132    0.9105331
H    -1.3324821    3.0462473   -0.5219600
H    -1.2224761    3.8243273    1.0941671
C     0.3313470    1.9743582    2.2342532
H    -0.0443360    2.8475123    2.7929242
H     1.4170331    1.9179812    2.4001342
C    -0.3639200    0.7281771    2.7578612
H    -1.4480361    0.7673961    2.5765382
H    -0.2145720    0.6788641    3.8518983
C     1.5343291   -0.7957251    2.5891692
H     2.2375722   -0.0104260    2.2909732
H     1.8713622   -1.7429572    2.1481342
H     1.5368891   -0.8921201    3.6876313
C    -0.7084541   -1.7105282    2.3390212
H    -0.2987510   -2.4781592    1.6501851
C    -2.1791172   -1.4954151    2.0761052
C    -2.9608413   -2.1084342    3.0513543
C    -4.3598094   -2.0356982    2.9715833
C    -4.8859504   -1.3169951    1.8927242
H    -5.9743195   -1.2416181    1.8347612
C    -4.1354754   -0.6943351    0.8667341
C    -2.7283612   -0.8256461    0.9674101
C    -5.2493695   -2.6968112    3.9939573
H    -5.0422404   -2.3212612    5.0103114
H    -6.3112606   -2.5150882    3.7761923
H    -5.0896384   -3.7880863    4.0158344
C     5.9102275    4.3068254    1.1019161
H     5.8866655    5.1270325    0.3645090
H     5.6996785    4.7550684    2.0877662
H     6.9325806    3.9038803    1.1258851
Zr    0.0995260    0.0471160   -0.3263740
C     2.8397603    4.8468144    0.7591661
H     3.1677433    5.4534935    1.6172801
H     3.0457733    5.4452085   -0.1463500
C     1.3435501    4.4731064    0.8431121
H     1.0477391    4.4262124    1.9028352
H     0.6944181    5.2104845    0.3513520
C    -0.6895551   -2.2439922    3.8005093
H     0.1183890   -2.9664473    3.9788123
H    -0.5339110   -1.3965061    4.4879464
C    -2.0941352   -2.8352262    4.0503694
H    -2.4209182   -2.7076882    5.0938134
H    -2.1077282   -3.9207373    3.8455333
C    -0.0591330    1.2301051   -2.3250982
H    -0.8077551    1.9862612   -2.5891322
H     0.9704661    1.5829521   -2.4865072
C    -0.3237870   -0.1077560   -2.8530603
C    -1.5484151   -0.4806540   -3.4732193
C     0.5773471   -1.1691841   -2.5248622
C    -1.8418792   -1.8088702   -3.7500073
H    -2.2462502    0.3050270   -3.7674423
C     0.2560720   -2.5207542   -2.7897622
H     1.6025381   -0.9223441   -2.2221592
C    -0.9549901   -2.8434392   -3.3886823
H    -2.7771672   -2.0555552   -4.2574054
H     0.9849011   -3.3004343   -2.5575642
H    -1.2052321   -3.8824083   -3.6084963
C    -4.9442514    0.0287360   -0.2273310
C    -4.0855124    0.7197291   -1.3095271
C    -5.8630815   -1.0019111   -0.9476671
C    -5.8440045    1.1218531    0.4209370
H    -3.4349953   -0.0259660   -1.7876022
H    -3.4271173    1.4697881   -0.8418691
C    -4.9690684    1.4070731   -2.3702162
H    -6.4979166   -1.5214351   -0.2109340
H    -5.2339335   -1.7735812   -1.4258941
C    -6.7536156   -0.3111460   -1.9969102
H    -5.2021545    1.8694382    0.9218121
H    -6.4830736    0.6788961    1.2023751
C    -6.7316086    1.8050052   -0.6366971
H    -4.3147224    1.8847902   -3.1210533
C    -5.8668875    0.3632550   -3.0574763
C    -5.8452215    2.4783932   -1.6985132
H    -7.3952657   -1.0698471   -2.4750882
C    -7.6313677    0.7510931   -1.3090571
H    -7.3578787    2.5637612   -0.1385660
H    -5.2483335   -0.3950740   -3.5709763
H    -6.4912606    0.8463721   -3.8287043
H    -5.2103625    3.2514023   -1.2289501
H    -6.4705766    2.9881113   -2.4515592
H    -8.2914977    1.2343181   -2.0496252
H    -8.2853757    0.2748270   -0.5574710
C     5.0069884   -0.5087490   -0.2718370
C     6.5498266   -0.5724551   -0.1270570
C     4.4128744   -1.6665081    0.5740691
C     4.6775614   -0.7682311   -1.7700582
H     6.8363116   -0.3922560    0.9241801
H     7.0165026    0.2218400   -0.7343851
C     7.1002856   -1.9372752   -0.5844051
H     3.3173133   -1.6594631    0.4758150
H     4.6540534   -1.5000601    1.6393801
C     4.9605444   -3.0310233    0.1125130
H     5.1182375    0.0379410   -2.3818932
H     3.5859583   -0.7227141   -1.9181152
C     5.2163375   -2.1376802   -2.2262102
H     8.1958397   -1.9317532   -0.4622980
C     6.4893095   -3.0581373    0.2732010
C     6.7462096   -2.1657612   -2.0646332
H     4.5073824   -3.8254383    0.7304731
C     4.5929354   -3.2535403   -1.3668081
H     4.9509464   -2.2912502   -3.2859133
H     6.7621356   -2.9193153    1.3341711
H     6.8893986   -4.0383634   -0.0383610
H     7.2079736   -1.3837881   -2.6923002
H     7.1482196   -3.1348823   -2.4069332
H     4.9559534   -4.2395714   -1.7042251
H     3.4929873   -3.2586013   -1.4868181
121
 FF_5(FF)
N     0.0401130    1.8174301    1.2386142
N    -0.0163959   -0.9948361    2.2437512
O     2.0091952    0.3010470   -0.1195740
O    -1.8749181   -0.3375861    0.0818301
C     2.9169843    1.2945482    0.1206081
C     4.3247944    1.1454842    0.0192591
C     5.0875244    2.2996283    0.2974681
H     6.1728815    2.2241413    0.2338031
C     4.5612574    3.5562594    0.6379031
C     3.1667903    3.6561074    0.7247981
C     2.3747972    2.5333533    0.4858401
C     0.9069201    2.8695123    0.5664711
H     0.4790320    2.9537673   -0.4531020
C    -1.3281221    2.3878522    1.3793402
H    -1.6467672    2.7837662    0.4070491
H    -1.3335411    3.2067233    2.1181702
H    -2.0443882    1.6175031    1.6855722
C     0.5709381    1.4260791    2.5709573
H     0.4720540    2.2534742    3.2968813
H     1.6448832    1.2148661    2.4566543
C    -0.1794140    0.2206220    3.1111633
H    -1.2563661    0.4293590    3.1833833
H     0.1852081    0.0022310    4.1281794
C     1.2448852   -1.6921881    2.6356723
H     2.1063532   -1.0521821    2.4048493
H     1.3355362   -2.6265092    2.0697582
H     1.2394082   -1.9157522    3.7150464
C    -1.1953360   -1.9438452    2.4412153
H    -0.9687510   -2.7848563    1.7668892
C    -2.5516652   -1.3601232    2.0962902
C    -3.5095232   -1.7545072    3.0337053
C    -4.8536254   -1.3987782    2.8623143
C    -5.1758504   -0.6752232    1.7048412
H    -6.2240875   -0.4108201    1.5676932
C    -4.2573933   -0.2921871    0.7042421
C    -2.9009422   -0.6425671    0.9355861
C    -5.9115214   -1.8004443    3.8596254
H    -5.9712774   -2.8975304    3.9597924
H    -5.6925884   -1.3979522    4.8631865
H    -6.9031445   -1.4347082    3.5579324
C     5.4577544    4.7437955    0.8844951
H     5.3088364    5.1565815    1.8966522
H     6.5177945    4.4716055    0.7830721
H     5.2472744    5.5585536    0.1711021
Zr    0.1069131   -0.3151050   -0.0536240
C     2.3037932    4.8675115    0.9844441
H     2.6578522    5.4908665    1.8199372
H     2.2854861    5.5178865    0.0916181
C     0.9066900    4.2649954    1.2556062
H     0.7819710    4.1301124    2.3423273
H     0.0883840    4.9097944    0.9075961
C    -1.3765930   -2.4512442    3.8996014
H    -0.8100860   -3.3722273    4.0938274
H    -1.0150370   -1.6890102    4.6071915
C    -2.8980052   -2.6348783    4.0966254
H    -3.2204882   -2.3799743    5.1180605
H    -3.1935232   -3.6857194    3.9276574
C     0.6082701   -2.5406442   -0.4295310
H     1.7088322   -2.5396572   -0.4230090
H     0.1927911   -3.4161183    0.0817981
C     0.0174841   -2.2582282   -1.7365801
C    -1.1694380   -2.8836193   -2.2088821
C     0.5076161   -1.1465361   -2.4862552
C    -1.7788211   -2.4658463   -3.3825252
H    -1.5789650   -3.7275114   -1.6496251
C    -0.1416490   -0.7098071   -3.6642063
H     1.4979972   -0.7383861   -2.2496601
C    -1.2781411   -1.3680851   -4.1141243
H    -2.6642261   -2.9931313   -3.7440013
H     0.2831961    0.1178650   -4.2362073
H    -1.7726711   -1.0525531   -5.0340804
C    -4.7544174    0.3888099   -0.5844370
C    -4.0498813    1.7500271   -0.8299290
C    -4.4676203   -0.5383031   -1.7988291
C    -6.2817615    0.6548909   -0.5546420
H    -2.9625273    1.5887231   -0.8792120
H    -4.2525954    2.4247441    0.0213011
C    -4.5298634    2.3958331   -2.1442871
H    -4.9841044   -1.5022322   -1.6443041
H    -3.3887743   -0.7495201   -1.8503871
C    -4.9429844    0.1126329   -3.1122712
H    -6.5334646    1.3145270    0.2946871
H    -6.8246446   -0.2940741   -0.4042620
C    -6.7636826    1.3021250   -1.8673391
H    -4.0006984    3.3543052   -2.2847442
C    -4.2126114    1.4527731   -3.3199352
C    -6.0453766    2.6458021   -2.0771331
H    -4.7144024   -0.5678871   -3.9508893
C    -6.4596066    0.3619309   -3.0472652
H    -7.8510587    1.4692700   -1.7972711
H    -3.1221793    1.2848791   -3.3885352
H    -4.5293224    1.9144271   -4.2712343
H    -6.2806486    3.3376052   -1.2491211
H    -6.3952376    3.1244492   -3.0080012
H    -6.8146906    0.8099740   -3.9914063
H    -6.9968856   -0.5942922   -2.9203512
C     5.0117085   -0.1650089   -0.3962680
C     4.5752954   -0.5655770   -1.8335271
C     6.5573776   -0.0404099   -0.4020330
C     4.6418645   -1.3191381    0.5753391
H     4.8493015    0.2425551   -2.5340922
H     3.4782374   -0.6666560   -1.8659281
C     5.2349535   -1.8906421   -2.2622251
H     6.9148446    0.2394081    0.6045121
H     6.8663506    0.7618082   -1.0943040
C     7.2235537   -1.3612830   -0.8324520
H     3.5472404   -1.4390801    0.5972591
H     4.9664895   -1.0504790    1.5968122
C     5.3029926   -2.6418152    0.1392451
H     4.8922655   -2.1479091   -3.2786932
C     6.7648117   -1.7296951   -2.2542411
C     4.8349685   -3.0090592   -1.2818471
H     8.3171308   -1.2227810   -0.8199530
C     6.8326237   -2.4809381    0.1475661
H     5.0088775   -3.4383862    0.8443501
H     7.0686257   -0.9441330   -2.9680942
H     7.2480107   -2.6670461   -2.5795002
H     3.7396944   -3.1574062   -1.2992621
H     5.2893356   -3.9652323   -1.5936051
H     7.3170897   -3.4287952   -0.1435870
H     7.1843017   -2.2366171    1.1654292
121
 FF_6(FF)
N    -0.0707090   -1.0472481    1.9248732
N     0.0210420    1.9668752    1.1842471
O    -1.9266042   -0.0579210   -0.0343630
O     1.9980642    0.4753790   -0.1872050
C    -2.9540553   -0.5752460    0.7021761
C    -4.3238244   -0.2771890    0.4771980
C    -5.2421625   -0.8882121    1.3569101
H    -6.3019725   -0.6707441    1.2252821
C    -4.9031654   -1.7801502    2.3863022
C    -3.5441063   -2.0814792    2.5428492
C    -2.5918952   -1.4763581    1.7197642
C    -1.2148591   -2.0491662    1.9920662
H    -0.9600211   -2.7918412    1.2148621
C     1.2026871   -1.7123512    2.3232812
H     2.0450812   -1.0277131    2.1611932
H     1.3469971   -2.6060692    1.7050031
H     1.1712391   -2.0048442    3.3856393
C    -0.3270400    0.1135820    2.8441712
H    -0.0584990   -0.1709280    3.8753803
H    -1.4095081    0.3072440    2.8287612
C     0.4602610    1.3714501    2.4842122
H     1.5386581    1.1660131    2.4070632
H     0.3229920    2.1006972    3.3018733
C    -1.3193171    2.5983132    1.3420481
H    -2.0792602    1.8390522    1.5544491
H    -1.5858791    3.1018073    0.4036080
H    -1.3014231    3.3413433    2.1557372
C     0.9882931    3.0362843    0.6959351
H     0.6264081    3.2709173   -0.3250440
C     2.4392532    2.6210012    0.6459291
C     3.2705833    3.6739473    1.0296081
C     4.6610854    3.5206733    0.9747441
C     5.1436635    2.2895932    0.5042880
H     6.2261846    2.1765232    0.4563770
C     4.3437874    1.2080821    0.0766320
C     2.9405343    1.4006911    0.1690850
C     5.5982675    4.6305524    1.3804021
H     5.4364715    4.9302664    2.4296962
H     6.6485436    4.3243164    1.2746571
H     5.4438645    5.5305825    0.7614521
C    -5.9585335   -2.4066132    3.2633683
H    -5.7941475   -2.1633352    4.3268324
H    -6.9638636   -2.0571982    2.9889223
H    -5.9478465   -3.5066723    3.1803223
Zr    0.0535320    0.0003320   -0.2210360
C    -2.8949673   -3.0853183    3.4659863
H    -3.2666823   -3.0380313    4.5011044
H    -3.0922993   -4.1113344    3.1067753
C    -1.3905661   -2.7489632    3.3670393
H    -1.1297871   -2.0454752    4.1744664
H    -0.7480771   -3.6334533    3.4769443
C     1.0253671    4.3326164    1.5526121
H     0.2484550    5.0543934    1.2664351
H     0.8640581    4.0713084    2.6113552
C     2.4555272    4.8924304    1.3899351
H     2.8075232    5.4074085    2.2968772
H     2.4968202    5.6319725    0.5702711
C    -0.0423230   -0.5386710   -2.4393732
H    -0.8730461   -0.1585890   -3.0466823
H     0.9438381   -0.2965040   -2.8619603
C    -0.1803900   -1.9125452   -1.9645062
C    -1.3715281   -2.6821892   -2.0936502
C     0.8583831   -2.4544902   -1.1548261
C    -1.4653921   -3.9507603   -1.5407961
H    -2.2005222   -2.2776832   -2.6764882
C     0.7605281   -3.7573793   -0.6167111
H     1.8201532   -1.9299402   -1.1083031
C    -0.3939510   -4.5057074   -0.8079601
H    -2.3754142   -4.5356034   -1.6912261
H     1.6122921   -4.1843554   -0.0819400
H    -0.4693550   -5.5193965   -0.4102550
C     4.9981674   -0.0603760   -0.4969480
C     6.5467766    0.0243590   -0.4670530
C     4.5888854   -1.3235201    0.3080430
C     4.5716074   -0.2572890   -1.9799242
H     6.8942936    0.1608930    0.5721450
H     6.8844716    0.9025891   -1.0436651
C     7.1918316   -1.2420241   -1.0592141
H     3.4911513   -1.4180361    0.3041470
H     4.9037234   -1.2022601    1.3602751
C     5.2279385   -2.5927332   -0.2925120
H     4.8738794    0.6299811   -2.5630812
H     3.4724993   -0.3248750   -2.0431582
C     5.2158495   -1.5266041   -2.5729102
H     8.2877277   -1.1322151   -1.0128361
C     6.7604456   -2.4713462   -0.2411330
C     6.7484606   -1.4033121   -2.5235902
H     4.9054894   -3.4689593    0.2969200
C     4.7826914   -2.7593702   -1.7579852
H     4.8842954   -1.6389161   -3.6188433
H     7.1005366   -2.3713252    0.8047111
H     7.2280436   -3.3843603   -0.6480591
H     7.0804956   -0.5350150   -3.1190953
H     7.2164196   -2.2985972   -2.9679033
H     5.2332765   -3.6716593   -2.1856302
H     3.6879393   -2.8905873   -1.8188762
C    -4.8221564    0.5869411   -0.6958871
C    -4.2236114    2.0179792   -0.6523361
C    -4.4060244   -0.0736860   -2.0417322
C    -6.3661956    0.7260401   -0.7049551
H    -3.1266773    1.9456982   -0.6731281
H    -4.5113214    2.5067172    0.2960880
C    -4.7020474    2.8584042   -1.8521862
H    -4.8390974   -1.0883191   -2.0943182
H    -3.3099703   -0.1805360   -2.0684362
C    -4.8810444    0.7700391   -3.2408553
H    -6.7068266    1.1977431    0.2337420
H    -6.8325576   -0.2729420   -0.7571501
C    -6.8458646    1.5668841   -1.9037592
H    -4.2507224    3.8636143   -1.7865522
C    -4.2584134    2.1765212   -3.1601533
C    -6.2348215    2.9764123   -1.8253302
H    -4.5612134    0.2758900   -4.1740764
C    -6.4146986    0.8872481   -3.2153123
H    -7.9453937    1.6362971   -1.8658702
H    -3.1553413    2.1077152   -3.1987963
H    -4.5726624    2.7808432   -4.0284074
H    -6.5612626    3.4828953   -0.8998811
H    -6.5853256    3.5915813   -2.6718542
H    -6.7669866    1.4736091   -4.0813674
H    -6.8736796   -0.1139010   -3.2942643
121
 FF_7(FF)
N    -0.0164579   -0.9651281    2.2565892
N     0.0387761    1.8332102    1.2133791
O    -1.8747581   -0.3377630    0.0853460
O     2.0091943    0.2988790   -0.1231730
C    -2.9005622   -0.6306680    0.9436151
C    -4.2569823   -0.2828420    0.7080291
C    -5.1753444   -0.6521220    1.7139122
H    -6.2234375   -0.3888350    1.5736512
C    -4.8531754   -1.3606001    2.8807043
C    -3.5091872   -1.7146041    3.0564103
C    -2.5514292   -1.3328541    2.1137032
C    -1.1951750   -1.9118201    2.4663932
H    -0.9681310   -2.7616042    1.8033592
C     1.2449022   -1.6565221    2.6588153
H     1.3360932   -2.5986792    2.1061572
H     1.2388842   -1.8649741    3.7412043
H     2.1064213   -1.0196631    2.4196092
C    -0.1806169    0.2618800    3.1074193
H     0.1841101    0.0576400    4.1273424
H    -1.2577840    0.4706171    3.1769393
C     0.5686231    1.4607071    2.5514292
H     1.6429862    1.2496001    2.4411022
H     0.4677311    2.2976662    3.2660443
C    -1.3296600    2.4052052    1.3449571
H    -2.0455961    1.6394132    1.6630942
H    -1.6483081    2.7857303    0.3665731
H    -1.3356070    3.2354193    2.0710002
C     0.9058582    2.8760293    0.5275531
H     0.4792621    2.9460013   -0.4936500
C     2.3738633    2.5390052    0.4537201
C     3.1655464    3.6647183    0.6793151
C     4.5601975    3.5633623    0.5972351
C     5.0869225    2.3022232    0.2745790
H     6.1724086    2.2256112    0.2148040
C     4.3245105    1.1448561    0.0091190
C     2.9165563    1.2954361    0.1058490
C     5.4564266    4.7538044    0.8303181
H     6.5166786    4.4797094    0.7365291
H     5.2489446    5.5584875    0.1047040
H     5.3041356    5.1809974    1.8359642
C    -5.9109825   -1.7487431    3.8834224
H    -6.9026295   -1.3871161    3.5769103
H    -5.9707245   -2.8443722    3.9983984
H    -5.6920115   -1.3327671    4.8814674
Zr    0.1072381   -0.3172050   -0.0497870
C    -2.8976692   -2.5814022    4.1304434
H    -3.2204772   -2.3140832    5.1485815
H    -3.1928072   -3.6343633    3.9744574
C    -1.3762911   -2.3997312    3.9314334
H    -1.0153120   -1.6277901    4.6287134
H    -0.8092090   -3.3175993    4.1382914
C     0.9045192    4.2810004    1.1972901
H     0.0868731    4.9209855    0.8390221
H     0.7779392    4.1610604    2.2855482
C     2.3021693    4.8796304    0.9205071
H     2.6546263    5.5146525    1.7478462
H     2.2856063    5.5174245    0.0186100
C     0.6064561   -2.5485752   -0.3954460
H     1.7070332   -2.5491122   -0.3881820
H     0.1892431   -3.4166423    0.1269610
C     0.0175931   -2.2822052   -1.7067351
C    -1.1705820   -2.9102502   -2.1723172
C     0.5116131   -1.1815201   -2.4699972
C    -1.7775751   -2.5055392   -3.3517943
H    -1.5831961   -3.7457363   -1.6028111
C    -0.1352229   -0.7577510   -3.6539823
H     1.5025872   -0.7728921   -2.2369572
C    -1.2732350   -1.4183911   -4.0965823
H    -2.6640482   -3.0349022   -3.7075603
H     0.2924101    0.0615760   -4.2358334
H    -1.7661931   -1.1130231   -5.0208044
C     5.0117125   -0.1702380   -0.3912480
C     4.5833145   -0.5794261   -1.8284551
C     6.5576697   -0.0485880   -0.3883430
C     4.6340335   -1.3170351    0.5859191
H     4.8630665    0.2237640   -2.5323992
H     3.4861654   -0.6784871   -1.8671761
C     5.2433235   -1.9083312   -2.2443622
H     6.9092057    0.2389860    0.6181351
H     6.8727067    0.7472010   -1.0852281
C     7.2239757   -1.3737401   -0.8050501
H     3.5391984   -1.4345181    0.6029851
H     4.9539475   -1.0423051    1.6072912
C     5.2946185   -2.6440172    0.1623030
H     4.9068905   -2.1715862   -3.2613863
C     6.7734996   -1.7503692   -2.2273722
C     4.8347265   -3.0195103   -1.2593071
H     8.3177228   -1.2373471   -0.7864451
C     6.8244767   -2.4863442    0.1794650
H     4.9942915   -3.4353943    0.8706331
H     7.0834707   -0.9700051   -2.9442632
H     7.2567237   -2.6907793   -2.5436192
H     3.7392594   -3.1656323   -1.2828401
H     5.2890155   -3.9787054   -1.5617661
H     7.3089667   -3.4369223   -0.1026490
H     7.1700667   -2.2363622    1.1980491
C    -4.7542333    0.3809731   -0.5895360
C    -6.2810725    0.6503781   -0.5618110
C    -4.0478563    1.7373822   -0.8550051
C    -4.4704043   -0.5639570   -1.7909791
H    -6.5305145    1.3221002    0.2786660
H    -6.8257506   -0.2953020   -0.3979110
C    -6.7631285    1.2801362   -1.8829501
H    -2.9607792    1.5739342   -0.9025441
H    -4.2490303    2.4244683   -0.0133360
C    -4.5277213    2.3652693   -2.1780292
H    -4.9884064   -1.5246441   -1.6220161
H    -3.3919442   -0.7778760   -1.8406281
C    -4.9462724    0.0691901   -3.1129313
H    -7.8501176    1.4503132   -1.8140861
C    -6.0425894    2.6192833   -2.1128362
C    -6.4623395    0.3223811   -3.0495453
H    -3.9966223    3.3204613   -2.3327582
C    -4.2136923    1.4048262   -3.3404193
H    -4.7201583   -0.6234950   -3.9422043
H    -6.2756285    3.3233403   -1.2945791
H    -6.3926585    3.0851223   -3.0500933
H    -7.0013706   -0.6308040   -2.9081152
H    -6.8177055    0.7573761   -3.9996573
H    -4.5307353    1.8535052   -4.2978064
H    -3.1236632    1.2339731   -3.4079753
121
 FF_8(FF)
N    -0.0457460   -1.3879821   -1.9724841
N    -0.0369310    1.5639011   -1.4461540
O     1.7915442   -0.4098770    0.0269431
O    -2.0685462    0.3245870    0.1078761
C     2.8258963   -0.8891261   -0.7248370
C     4.1819194   -0.5218420   -0.5583150
C     5.1015635   -1.1407491   -1.4381300
H     6.1563486   -0.8749561   -1.3354360
C     4.7790685   -2.0814692   -2.4217141
C     3.4222923   -2.4193702   -2.5490031
C     2.4708432   -1.8177462   -1.7269761
C     1.0955321   -2.4014772   -1.9852771
H     0.8285491   -3.1052043   -1.1814110
C    -1.3292321   -2.0907352   -2.2677891
H    -1.3178941   -2.4993472   -3.2915972
H    -2.1658252   -1.3868381   -2.1700851
H    -1.4684221   -2.9073893   -1.5493051
C     0.1852780   -0.3372860   -3.0205332
H    -0.1597190   -0.7079591   -3.9999023
H     1.2713691   -0.1809640   -3.0913292
C    -0.5311240    0.9687721   -2.7165252
H    -1.6167341    0.8193231   -2.6141852
H    -0.3719720    1.6568131   -3.5666232
C     1.3492481    2.0794672   -1.6197071
H     2.0474572    1.2603891   -1.8230101
H     1.6617561    2.5743352   -0.6900470
H     1.3929201    2.8094632   -2.4450031
C    -0.9051351    2.7235302   -0.9854750
H    -0.5029760    2.9731312    0.0172701
C    -2.3801362    2.4210832   -0.8898170
C    -3.1489473    3.4935613   -1.3412760
C    -4.5466614    3.4262553   -1.2751580
C    -5.1011174    2.2560622   -0.7318750
H    -6.1887545    2.2061461   -0.6830090
C    -4.3631004    1.1611261   -0.2342719
C    -2.9515763    1.2723891   -0.3266729
C    -5.4177855    4.5622914   -1.7499781
H    -5.2093035    5.4881804   -1.1875170
H    -5.2404935    4.7868804   -2.8154352
H    -6.4841266    4.3256843   -1.6274471
C     5.8370466   -2.7137482   -3.2908852
H     5.6467585   -2.5219292   -4.3604513
H     6.8361616   -2.3238742   -3.0503142
H     5.8601536   -3.8088963   -3.1600842
Zr   -0.1769060   -0.3225120    0.1711671
C     2.7870393   -3.4608193   -3.4384382
H     3.1454153   -3.4293483   -4.4789553
H     3.0169003   -4.4719024   -3.0572472
C     1.2751081   -3.1612993   -3.3290192
H     0.9804371   -2.5104032   -4.1671153
H     0.6576491   -4.0682994   -3.3837642
C    -0.8653481    3.9830913   -1.8992741
H    -0.0512480    4.6719864   -1.6361181
H    -0.7056791    3.6664893   -2.9428282
C    -2.2625392    4.6334444   -1.7820801
H    -2.5835932    5.1032274   -2.7245762
H    -2.2627582    5.4303384   -1.0169870
C    -0.6850680   -2.4487702    0.9504572
H    -1.7853331   -2.4444082    0.9716132
H    -0.2794860   -3.4030413    0.5968991
C    -0.0572380   -1.9206882    2.1583023
C     1.1749651   -2.4091322    2.6775323
C    -0.5493600   -0.6959591    2.7042293
C     1.8310212   -1.7481202    3.7049244
H     1.5876412   -3.3349073    2.2709073
C     0.1424700   -0.0180960    3.7350334
H    -1.5609271   -0.3638861    2.4395533
C     1.3277461   -0.5406101    4.2349065
H     2.7550733   -2.1679582    4.1085174
H    -0.2835460    0.8944281    4.1575854
H     1.8591442   -0.0338050    5.0420125
C    -5.0775484   -0.0445330    0.3966851
C    -4.6815494   -0.1746861    1.8946782
C    -6.6209025    0.0929360    0.3373121
C    -4.6995374   -1.3625462   -0.3331029
H    -4.9609584    0.7523400    2.4251933
H    -3.5868353   -0.2783761    1.9745423
C    -5.3716895   -1.3900702    2.5437733
H    -6.9485026    0.1860160   -0.7130980
H    -6.9361506    1.0117700    0.8613302
C    -7.3162966   -1.1190742    0.9860262
H    -3.6068423   -1.4943332   -0.3027319
H    -4.9956634   -1.2860912   -1.3949630
C    -5.3889285   -2.5750513    0.3234261
H    -5.0592584   -1.4566132    3.5996464
C    -6.8986816   -1.2197842    2.4635953
C    -4.9622284   -2.6751353    1.8003332
H    -8.4072027   -0.9759201    0.9177572
C    -6.9155666   -2.4053733    0.2432191
H    -5.0879524   -3.4915974   -0.2128469
H    -7.2094186   -0.3121031    3.0099833
H    -7.4027026   -2.0756622    2.9445733
H    -3.8697693   -2.8268733    1.8751882
H    -5.4371634   -3.5526424    2.2718653
H    -7.4204196   -3.2778123    0.6925801
H    -7.2376656   -2.3525363   -0.8117360
C     4.7699474    0.4492321    0.4869471
C     3.7385973    1.0925961    1.4470052
C     5.7985555   -0.3215580    1.3682452
C     5.5168075    1.6052892   -0.2408569
H     3.1893333    0.3066770    1.9874363
H     2.9960903    1.6650112    0.8676852
C     4.4281194    2.0353332    2.4551723
H     6.5589146   -0.8017850    0.7306461
H     5.2752165   -1.1329291    1.9048632
C     6.4923036    0.6214691    2.3684253
H     4.7949554    2.1744452   -0.8547890
H     6.2679086    1.1947951   -0.9359000
C     6.2097536    2.5406332    0.7677061
H     3.6551613    2.4694662    3.1129014
C     5.4402745    1.2442011    3.3011704
C     5.1564735    3.1614763    1.7011852
H     7.2184137    0.0396440    2.9603533
C     7.2258516    1.7363282    1.5999352
H     6.7326256    3.3374953    0.2129021
H     4.9235774    0.4520011    3.8724114
H     5.9253205    1.9092022    4.0364894
H     4.4340354    3.7582153    1.1150472
H     5.6378045    3.8505624    2.4163943
H     7.7480567    2.4035002    2.3069793
H     7.9965987    1.2997282    0.9405212
121
 FF_9(FF)
N    -0.0032790    1.9413932    1.1667281
N    -0.0528340   -1.0984081    1.8092262
O     1.9336182    0.4911790   -0.2629160
O    -1.9814812   -0.0596760   -0.0491560
C     2.8980993    1.3853401    0.1125020
C     4.2979884    1.1814801    0.0379380
C     5.1017845    2.2597272    0.4788300
H     6.1855525    2.1284492    0.4357330
C     4.6331854    3.4898583    0.9526351
C     3.2403913    3.6491363    1.0075281
C     2.4069442    2.6071722    0.6085171
C     0.9557841    3.0205983    0.6805191
H     0.5789461    3.2705893   -0.3315440
C    -1.3387001    2.5680542    1.3739091
H    -2.0907222    1.8022302    1.5912681
H    -1.6320031    3.0904263    0.4537490
H    -1.3002401    3.2938993    2.2022092
C     0.4657330    1.3090831    2.4390942
H     0.3325670    2.0094522    3.2824053
H     1.5450441    1.1209661    2.3386012
C    -0.2981020    0.0289080    2.7727442
H    -1.3828991    0.2094530    2.7892082
H    -0.0017960   -0.2865630    3.7872973
C     1.2424931   -1.7576852    2.1406522
H     1.2523431   -2.0883732    3.1922003
H     2.0688222   -1.0544171    1.9735762
H     1.3770611   -2.6266222    1.4855281
C    -1.1813041   -2.1177912    1.8779272
H    -0.9422231   -2.8300042    1.0679271
C    -2.5735092   -1.5550771    1.6677141
C    -3.4919083   -2.2057772    2.4945742
C    -4.8593294   -1.9211212    2.3888412
C    -5.2416665   -0.9956181    1.4053151
H    -6.3080046   -0.7901721    1.3129711
C    -4.3587994   -0.3356530    0.5247260
C    -2.9785643   -0.6211021    0.6969211
C    -5.8790245   -2.5977542    3.2708803
H    -5.6891915   -2.3902592    4.3377074
H    -6.8973606   -2.2565202    3.0370503
H    -5.8522425   -3.6937053    3.1472283
C     5.5754985    4.5908004    1.3696291
H     5.4289335    5.4956285    0.7559381
H     5.4110315    4.8843794    2.4201832
H     6.6242666    4.2787584    1.2660571
Zr   -0.0077980    0.0232360   -0.2973480
C     2.4310022    4.8642104    1.3901081
H     2.7917402    5.3672304    2.3002922
H     2.4655272    5.6138975    0.5793821
C     1.0025921    4.3021764    1.5583141
H     0.8535361    4.0218874    2.6140752
H     0.2224620    5.0287284    1.2937681
C    -1.3053831   -2.8666713    3.2321353
H    -0.6456341   -3.7431743    3.2934273
H    -1.0335601   -2.1864692    4.0557124
C    -2.8006882   -3.2322523    3.3606543
H    -3.1432933   -3.2298343    4.4068114
H    -2.9915313   -4.2474374    2.9686443
C    -0.1490670   -0.4317000   -2.5311602
H    -0.9854811   -0.0200440   -3.1099033
H     0.8317501   -0.1836570   -2.9631613
C    -0.2934340   -1.8246012   -2.1126952
C    -1.4928351   -2.5776192   -2.2577042
C     0.7533581   -2.4101622   -1.3456941
C    -1.5906761   -3.8677343   -1.7575342
H    -2.3266872   -2.1419532   -2.8102902
C     0.6501041   -3.7330123   -0.8601641
H     1.7196222   -1.8966462   -1.2894671
C    -0.5142670   -4.4625024   -1.0647891
H    -2.5083152   -4.4376174   -1.9187672
H     1.5047781   -4.1896524   -0.3551200
H    -0.5938961   -5.4911405   -0.7083681
C    -4.9043874    0.5703801   -0.5944931
C    -4.5147264   -0.0191720   -1.9804762
C    -6.4501296    0.6825841   -0.5555571
C    -4.3286214    2.0082192   -0.4995180
H    -4.9327884   -1.0375861   -2.0693042
H    -3.4183813   -0.1057870   -2.0415122
C    -5.0359414    0.8709861   -3.1255973
H    -6.7723926    1.1050101    0.4125950
H    -6.9015076   -0.3209980   -0.6411751
C    -6.9761656    1.5694681   -1.7006151
H    -3.2317913    1.9557972   -0.5530470
H    -4.5978744    2.4468272    0.4783660
C    -4.8535414    2.8952233   -1.6451301
H    -4.7334954    0.4267600   -4.0892204
C    -6.5699906    0.9595511   -3.0538013
C    -4.4347924    2.2831322   -2.9951493
H    -8.0752587    1.6174681   -1.6303681
C    -6.3867436    2.9845113   -1.5720511
H    -4.4172954    3.9041913   -1.5442691
H    -7.0143386   -0.0448480   -3.1675063
H    -6.9556596    1.5793971   -3.8814713
H    -3.3321853    2.2358262   -3.0662513
H    -4.7826574    2.9215643   -3.8253573
H    -6.7704776    3.6322353   -2.3789672
H    -6.6961136    3.4411953   -0.6153551
C     5.0475874   -0.0611490   -0.4808040
C     4.1337724   -1.2023681   -0.9810071
C     5.9657125    0.3490670   -1.6707961
C     5.9410985   -0.6433471    0.6534941
H     3.4885053   -0.8269251   -1.7928292
H     3.4759373   -1.5301301   -0.1584280
C     4.9577654   -2.4039142   -1.4862091
H     6.6428386    1.1628891   -1.3639021
H     5.3398055    0.7471111   -2.4890082
C     6.7977106   -0.8483731   -2.1669242
H     5.2988834   -0.9556471    1.4974471
H     6.6165236    0.1367920    1.0419451
C     6.7719786   -1.8368722    0.1460620
H     4.2620434   -3.1882663   -1.8316372
C     5.8554245   -1.9619712   -2.6544432
C     5.8287765   -2.9500933   -0.3417220
H     7.4400477   -0.5136460   -2.9981943
C     7.6729847   -1.3786611   -1.0161341
H     7.3961677   -2.2132972    0.9736101
H     5.2370125   -1.5972421   -3.4935863
H     6.4382866   -2.8199732   -3.0311213
H     5.1917245   -3.2994723    0.4914860
H     6.4113336   -3.8206993   -0.6887891
H     8.2928507   -2.2208092   -1.3684991
H     8.3661378   -0.5912711   -0.6711721
121
 FF_10(FF)
N    -0.0368070    1.5631821   -1.4468381
N    -0.0457160   -1.3889221   -1.9719252
O    -2.0685452    0.3245380    0.1076390
O     1.7915572   -0.4098830    0.0271280
C    -2.9514973    1.2722491   -0.3272350
C    -4.3630324    1.1611241   -0.2347360
C    -5.1009845    2.2559812   -0.7326111
H    -6.1886216    2.2061942   -0.6836261
C    -4.5464654    3.4259393   -1.2763241
C    -3.1487483    3.4930923   -1.3425801
C    -2.3800002    2.4207002   -0.8908171
C    -0.9049771    2.7230372   -0.9866391
H    -0.5028020    2.9730423    0.0160000
C     1.3493671    2.0786872   -1.6206881
H     1.3929531    2.8083822   -2.4462502
H     2.0475492    1.2595341   -1.8237672
H     1.6619481    2.5738782   -0.6912301
C    -0.5310550    0.9675301   -2.7169552
H    -0.3719170    1.6552191   -3.5673353
H    -1.6166671    0.8181531   -2.6145132
C     0.1853190   -0.3386550   -3.0204183
H     1.2714151   -0.1823990   -3.0912653
H    -0.1596560   -0.7097571   -3.9996354
C    -1.3291941   -2.0918012   -2.2669182
H    -2.1657942   -1.3878821   -2.1694492
H    -1.4683421   -2.9081663   -1.5480931
H    -1.3178871   -2.5008262   -3.2905593
C     1.0955651   -2.4024002   -1.9843212
H     0.8285381   -3.1059133   -1.1802891
C     2.4708862   -1.8186172   -1.7261132
C     3.4223863   -2.4206552   -2.5477892
C     4.7791554   -2.0827052   -2.4205952
C     5.1016234   -1.1415291   -1.4374371
H     6.1564005   -0.8756661   -1.3348421
C     4.1819444   -0.5222390   -0.5579361
C     2.8259182   -0.8895571   -0.7243861
C     5.8371775   -2.7154142   -3.2894053
H     6.8362416   -2.3252012   -3.0491753
H     5.8604845   -3.8104663   -3.1578373
H     5.6467795   -2.5243742   -4.3590884
C    -5.4175215    4.5619134   -1.7514162
H    -6.4838785    4.3253444   -1.6289401
H    -5.2090745    5.4878895   -1.1890861
H    -5.2401285    4.7863244   -2.8168912
Zr   -0.1768880   -0.3224870    0.1712760
C    -2.2622792    4.6327604   -1.7838082
H    -2.5833682    5.1023094   -2.7264052
H    -2.2623362    5.4298655   -1.0189351
C    -0.8651661    3.9822323   -1.9009272
H    -0.7056791    3.6652023   -2.9443783
H    -0.0509730    4.6711594   -1.6381481
C     1.2752511   -3.1626313   -3.3278113
H     0.6576051   -4.0695094   -3.3824723
H     0.9809401   -2.5118722   -4.1661424
C     2.7871352   -3.4624953   -3.4367773
H     3.1457333   -3.4317323   -4.4772334
H     3.0166943   -4.4733924   -3.0549033
C    -0.6850911   -2.4484482    0.9514321
H    -1.7853552   -2.4440932    0.9725581
H    -0.2794570   -3.4028403    0.5982621
C    -0.0573210   -1.9198562    2.1590772
C     1.1749201   -2.4079772    2.6785032
C    -0.5495880   -0.6949771    2.7045462
C     1.8309222   -1.7464862    3.7056233
H     1.5877031   -3.3338503    2.2722102
C     0.1421880   -0.0166250    3.7350513
H    -1.5611721   -0.3631130    2.4396972
C     1.3275351   -0.5388150    4.2351154
H     2.7550142   -2.1660732    4.1093824
H    -0.2839200    0.8960131    4.1572664
H     1.8589022   -0.0316160    5.0419934
C     4.7699054    0.4494240    0.4868310
C     3.7384673    1.0934701    1.4463321
C     5.7982605   -0.3208660    1.3688541
C     5.5170285    1.6049141   -0.2416160
H     3.1890633    0.3079070    1.9871422
H     2.9960713    1.6656001    0.8665971
C     4.4278854    2.0368012    2.4540032
H     6.5587066   -0.8016451    0.7317771
H     5.2747035   -1.1318021    1.9059252
C     6.4919466    0.6227401    2.3685472
H     4.7953624    2.1737282   -0.8560771
H     6.2682046    1.1938311   -0.9362311
C     6.2098616    2.5408292    0.7664711
H     3.6548443    2.4714642    3.1112823
C     5.4398465    1.2462101    3.3007173
C     5.1564535    3.1623713    1.6993451
H     7.2179066    0.0412080    2.9609443
C     7.2257406    1.7369962    1.5994291
H     6.7329096    3.3373163    0.2112920
H     4.9230374    0.4544460    3.8724563
H     5.9248275    1.9117212    4.0356164
H     4.4341464    3.7587493    1.1126741
H     5.6377065    3.8519363    2.4141432
H     7.7478927    2.4045942    2.3061072
H     7.9965517    1.2998701    0.9404371
C    -5.0775574   -0.0442830    0.3966450
C    -6.6209006    0.0934850    0.3377060
C    -4.7000164   -1.3624961   -0.3330580
C    -4.6811404   -0.1743220    1.8945222
H    -6.9488046    0.1864570   -0.7126171
H    -6.9357976    1.0124721    0.8616671
C    -7.3163567   -1.1182791    0.9868131
H    -3.6073423   -1.4945001   -0.3029220
H    -4.9963904   -1.2861261   -1.3948521
C    -5.3894935   -2.5747602    0.3238290
H    -4.9601824    0.7528211    2.4250222
H    -3.5864253   -0.2782470    1.9740592
C    -5.3713405   -1.3894721    2.5439972
H    -8.4072537   -0.9749171    0.9188431
C    -6.9161156   -2.4047592    0.2440520
C    -6.8983196   -1.2188701    2.4642642
H    -5.0888874   -3.4914423   -0.2124180
C    -4.9623834   -2.6747362    1.8006222
H    -5.0585904   -1.4559321    3.5997823
H    -7.2385197   -2.3519802   -0.8108131
H    -7.4210197   -3.2770393    0.6936651
H    -7.2086946   -0.3110460    3.0106203
H    -7.4023777   -2.0745722    2.9455123
H    -5.4373815   -3.5520583    2.2724352
H    -3.8699383   -2.8267102    1.8751802
121
 FF_12(FM)
N    -2.4395172   -2.6292692    0.8669501
N    -0.0542930   -1.9818722    2.4311392
O    -1.4852001   -0.1256380   -0.0021740
O     1.4927291   -0.9601461    0.3058610
C    -2.7636372    0.3341880   -0.1389860
C    -3.1108073    1.6981222   -0.2735410
C    -4.4963304    1.9701582   -0.3554810
H    -4.8010894    3.0139923   -0.4624710
C    -5.5177755    1.0124571   -0.3153330
C    -5.1227855   -0.3267310   -0.1708390
C    -3.7698793   -0.6445581   -0.0797470
C    -3.5720073   -2.1420442   -0.0286130
H    -3.2870553   -2.5110612   -1.0308071
C    -2.4871052   -4.1186214    0.8946351
H    -2.5954612   -4.4861804   -0.1332080
H    -3.3404133   -4.4746224    1.4966491
H    -1.5575161   -4.5310194    1.3069501
C    -2.5516132   -2.0788362    2.2473842
H    -3.4529073   -2.4651012    2.7554932
H    -2.6587492   -0.9871981    2.1616582
C    -1.3292311   -2.4547112    3.0684973
H    -1.2626251   -3.5460883    3.1752623
H    -1.4246281   -2.0448422    4.0846594
C     1.0277001   -2.9769093    2.6988742
H     1.1480781   -3.1594113    3.7791803
H     1.9754092   -2.6074842    2.2890262
H     0.7620731   -3.9257803    2.2093282
C     0.3156470   -0.5903451    2.9500203
H    -0.4718580    0.0712490    2.5451382
C     1.6825651   -0.1251930    2.5004592
C     2.3452652    0.5510420    3.5257403
C     3.6230193    1.0798451    3.3049153
C     4.1852204    0.8729091    2.0346002
H     5.1867885    1.2697801    1.8691062
C     3.5550193    0.1962380    0.9697671
C     2.2510512   -0.2909970    1.2312421
C     4.3664214    1.8318852    4.3806684
H     5.3563235    2.1550732    4.0290224
H     3.8101753    2.7298062    4.6988824
H     4.5133784    1.2088201    5.2791715
C    -6.9706426    1.4009871   -0.4285120
H    -7.0859216    2.4892502   -0.5304320
H    -7.4448007    0.9262041   -1.3041271
H    -7.5422267    1.0812561    0.4592420
Zr   -0.3122540   -1.7024582    0.0500550
C    -5.9656185   -1.5800491   -0.1602590
H    -6.8641946   -1.5027501    0.4708290
H    -6.3161445   -1.8124982   -1.1820231
C    -4.9869954   -2.6651162    0.3435590
H    -5.0735404   -2.7410202    1.4398321
H    -5.1982055   -3.6581253   -0.0766220
C     0.3937510   -0.4503390    4.4960824
H    -0.5731081   -0.1905960    4.9498464
H     0.7247711   -1.4062711    4.9336714
C     1.4754461    0.6235131    4.7576124
H     2.0225962    0.4417020    5.6950885
H     1.0178231    1.6250941    4.8463034
C     0.0827910   -3.6506253   -1.1337091
H     1.1871411   -3.6786263   -1.1207401
H    -0.3365740   -4.6540494   -0.9980641
C    -0.4622680   -2.8897503   -2.2676312
C    -1.6609601   -3.2398093   -2.9487943
C     0.0972040   -1.6142281   -2.5675132
C    -2.2320382   -2.3833592   -3.8844283
H    -2.1064122   -4.2212714   -2.7656362
C    -0.4979180   -0.7476721   -3.5067833
H     1.0859581   -1.3551951   -2.1660202
C    -1.6638781   -1.1250541   -4.1623184
H    -3.1318333   -2.6974372   -4.4186824
H    -0.0209980    0.2087620   -3.7296393
H    -2.1250732   -0.4649690   -4.8982574
C     4.2620144    0.0079480   -0.3807940
C     3.4612183    0.7015101   -1.5183391
C     5.6861705    0.6203521   -0.3823140
C     4.4071704   -1.5050601   -0.7111851
H     3.3856853    1.7811392   -1.2986031
H     2.4323062    0.3080990   -1.5423311
C     4.1475394    0.4854930   -2.8814753
H     6.2963765    0.1530300    0.4103620
H     5.6300535    1.7002251   -0.1593890
C     6.3794286    0.4191550   -1.7435832
H     3.4135473   -1.9821212   -0.7174371
H     4.9980034   -1.9918332    0.0850010
C     5.0929464   -1.7048372   -2.0770062
H     3.5456213    0.9749261   -3.6664413
C     5.5561195    1.1035901   -2.8488402
C     4.2585934   -1.0224551   -3.1772683
H     7.3841477    0.8704431   -1.6961842
C     6.5003916   -1.0849311   -2.0434662
H     5.1668775   -2.7858462   -2.2843742
H     5.4901035    2.1892582   -2.6585362
H     6.0517085    0.9756671   -3.8266443
H     3.2534793   -1.4793681   -3.2312123
H     4.7309014   -1.1796801   -4.1623084
H     7.0087216   -1.2405411   -3.0106503
H     7.1152306   -1.5796581   -1.2711831
C    -2.1496132    2.9008003   -0.3497400
C    -0.6440731    2.5474242   -0.2536590
C    -2.3678872    3.6395983   -1.7036461
C    -2.4708362    3.8914993    0.8079751
H    -0.3697140    1.8527432   -1.0636191
H    -0.4372230    2.0308712    0.6973461
C     0.2311810    3.8138833   -0.3449070
H    -3.4295643    3.9149763   -1.8182502
H    -2.1264102    2.9507223   -2.5328902
C    -1.4976281    4.9072164   -1.7903262
H    -2.3017832    3.3844933    1.7753002
H    -3.5359623    4.1757394    0.7803401
C    -1.6000321    5.1579625    0.7108681
H     1.2892201    3.5106393   -0.2700160
C    -0.0125490    4.5194654   -1.6899251
C    -0.1149980    4.7696564    0.8095761
H    -1.6897992    5.4047915   -2.7556152
C    -1.8613352    5.8592095   -0.6354571
H    -1.8652442    5.8359055    1.5394341
H     0.2633290    3.8520283   -2.5261432
H     0.6234181    5.4180275   -1.7706362
H     0.0875370    4.2825824    1.7805312
H     0.5197090    5.6714665    0.7619841
H    -1.2614631    6.7829936   -0.7032591
H    -2.9219963    6.1582056   -0.7088541
121
 FF_14(FF)
N     0.2181700    0.4526920    1.9734062
N    -0.1451460    2.1229462   -0.6954491
O    -1.9024822   -0.1587550    0.0219580
O     1.9918462    0.1624820   -0.5548971
C    -2.8447683    0.2954890    0.9005111
C    -4.2170094    0.4676650    0.5822071
C    -5.0168564    1.0336151    1.5995951
H    -6.0699105    1.2139871    1.3842611
C    -4.5728474    1.3502151    2.8916153
C    -3.2319063    1.0672481    3.1908133
C    -2.3822742    0.5772491    2.1988922
C    -1.0441991    0.1738500    2.7868422
H    -1.0280121   -0.9287621    2.8660783
C     1.3727531   -0.0920490    2.7472852
H     1.5449981    0.5067020    3.6569183
H     2.2724362   -0.0610860    2.1218232
H     1.1556271   -1.1265911    3.0350733
C     0.5296290    1.9087782    1.7510912
H     1.5899731    1.9607592    1.4666981
H     0.4267700    2.4561592    2.7027312
C    -0.3233980    2.6232452    0.7092731
H    -0.0814960    3.6973123    0.7617201
H    -1.3883921    2.5177662    0.9549811
C    -1.3689601    2.4928512   -1.4667341
H    -1.4808701    3.5876603   -1.5169341
H    -2.2487342    2.0621682   -0.9805741
H    -1.2854841    2.1005162   -2.4910322
C     1.0386081    2.7300212   -1.4456801
H     0.9452131    2.2676572   -2.4467162
C     2.4234242    2.4361222   -0.9235431
C     3.2453033    3.5582263   -1.0108461
C     4.6159474    3.4424063   -0.7376551
C     5.1015934    2.1545132   -0.4673540
H     6.1744085    2.0606542   -0.2999650
C     4.3190314    0.9788371   -0.4331290
C     2.9250323    1.1603741   -0.6197871
C     5.5359055    4.6361454   -0.7917581
H     5.2345715    5.4092655   -0.0647530
H     6.5740936    4.3506574   -0.5711401
H     5.5191585    5.1092755   -1.7884282
C    -5.5102845    1.9143602    3.9298133
H    -6.5209606    2.0541102    3.5210903
H    -5.5880035    1.2461871    4.8044354
H    -5.1571115    2.8907133    4.3027654
Zr    0.0507790   -0.2579240   -0.3295860
C    -2.5432652    1.1005091    4.5334394
H    -2.6726962    2.0534092    5.0704014
H    -2.9643743    0.3157090    5.1864175
C    -1.0604361    0.8083041    4.2071684
H    -0.4985670    1.7555342    4.2048034
H    -0.5875421    0.1574640    4.9550354
C     1.0113481    4.2815464   -1.5819231
H     0.5055980    4.6009644   -2.5030602
H     0.4536150    4.7272254   -0.7433791
C     2.4853712    4.7532144   -1.5325381
H     2.6132612    5.6552035   -0.9129811
H     2.8479393    5.0164124   -2.5414292
C    -0.0034370   -2.0854342   -1.6946411
H    -0.7869801   -2.1882522   -2.4567862
H     1.0094461   -2.1616042   -2.1188482
C    -0.2116560   -2.8601943   -0.4709560
C    -1.4037091   -3.5814543   -0.1870730
C     0.7375561   -2.7282822    0.5815680
C    -1.5962221   -4.1881544    1.0448701
H    -2.1524802   -3.6899923   -0.9734431
C     0.5401590   -3.3720263    1.8251042
H     1.7198581   -2.2918652    0.3583100
C    -0.6229481   -4.0913964    2.0619892
H    -2.5062142   -4.7652074    1.2233591
H     1.3278001   -3.3370653    2.5811482
H    -0.7744991   -4.6008004    3.0152193
C     4.9910044   -0.4006900   -0.3153360
C     4.6635274   -1.2376771   -1.5864941
C     6.5347446   -0.2914140   -0.2171990
C     4.5041744   -1.1837051    0.9311241
H     5.0255964   -0.6944961   -2.4767872
H     3.5705363   -1.3388241   -1.6901921
C     5.3167724   -2.6313352   -1.5120421
H     6.8144976    0.2905640    0.6787651
H     6.9281016    0.2491560   -1.0952021
C     7.1912116   -1.6835192   -0.1455170
H     3.4086913   -1.2856021    0.8861581
H     4.7463344   -0.6079511    1.8426812
C     5.1523395   -2.5811752    0.9982481
H     5.0546684   -3.1965173   -2.4221842
C     6.8446346   -2.4822112   -1.4141891
C     4.7960104   -3.3790983   -0.2706780
H     8.2835387   -1.5526131   -0.0758060
C     6.6800016   -2.4327202    1.0971671
H     4.7716904   -3.1099333    1.8894222
H     7.2342747   -1.9646292   -2.3081162
H     7.3235916   -3.4759023   -1.3809841
H     3.7024063   -3.5210253   -0.3426750
H     5.2436405   -4.3864574   -0.2190930
H     7.1551036   -3.4263233    1.1658911
H     6.9506506   -1.8800662    2.0142112
C    -4.8635034   -0.0508950   -0.7179291
C    -4.6696444   -1.5938151   -0.7785061
C    -6.3882836    0.2262660   -0.7635291
C    -4.2381774    0.5674720   -1.9958662
H    -5.1285465   -2.0488912    0.1168430
H    -3.5932113   -1.8234862   -0.7456761
C    -5.3011775   -2.1806632   -2.0554902
H    -6.5756326    1.3142411   -0.7259621
H    -6.8765876   -0.2206430    0.1192960
C    -7.0265056   -0.3618200   -2.0370812
H    -3.1574333    0.3618050   -2.0073542
H    -4.3757424    1.6638581   -1.9777722
C    -4.8759804   -0.0211860   -3.2698393
H    -5.1358295   -3.2718153   -2.0671222
C    -6.8109706   -1.8857952   -2.0652752
C    -4.6473764   -1.5440861   -3.2959743
H    -8.1063377   -0.1405860   -2.0217312
C    -6.3843645    0.2753490   -3.2806973
H    -4.3991654    0.4403450   -4.1515894
H    -7.2953946   -2.3550662   -1.1911201
H    -7.2790556   -2.3188382   -2.9659983
H    -3.5641243   -1.7651062   -3.3129133
H    -5.0773454   -1.9760502   -4.2159204
H    -6.8461896   -0.1281600   -4.1981454
H    -6.5579556    1.3659921   -3.2836293
121
 FF_15(FF)
N    -0.0064970    1.2718811   -1.6564181
N    -0.0483100   -1.7272842   -1.6008371
O    -1.9974881    0.3406400    0.1117090
O     1.8553042   -0.4027491    0.1193020
C    -2.9023532    1.1841071   -0.4646170
C    -4.3096123    1.0840301   -0.3509160
C    -5.0500844    2.0985251   -1.0034141
H    -6.1393625    2.0528151   -0.9311311
C    -4.5090184    3.1674452   -1.7275161
C    -3.1095972    3.2138872   -1.8288992
C    -2.3395382    2.2278152   -1.2192291
C    -0.8642190    2.4987042   -1.3914921
H    -0.4424600    2.9193912   -0.4557580
C     1.3735592    1.7384261   -1.9622212
H     2.0655692    0.8913090   -2.0233352
H     1.7114002    2.3999052   -1.1528001
H     1.3956492    2.2970372   -2.9127783
C    -0.5352450    0.4486500   -2.7763522
H    -0.3912860    0.9572570   -3.7470493
H    -1.6188331    0.3337910   -2.6234732
C     0.1639021   -0.9008131   -2.8370672
H     1.2492911   -0.7744661   -2.9602063
H    -0.2071220   -1.4497192   -3.7184263
C    -1.3477581   -2.4526903   -1.7160631
H    -1.3729131   -3.0554503   -2.6387482
H    -2.1725032   -1.7281232   -1.7353311
H    -1.4727861   -3.1086093   -0.8459561
C     1.0817301   -2.7412993   -1.4466311
H     0.8291611   -3.2728383   -0.5158350
C     2.4702283   -2.1407732   -1.3382531
C     3.3934143   -2.9111463   -2.0434872
C     4.7580585   -2.5829063   -2.0102312
C     5.1175155   -1.4723372   -1.2396421
H     6.1786886   -1.2138001   -1.2103861
C     4.2273274   -0.6713501   -0.4854800
C     2.8626193   -1.0391601   -0.5472800
C     5.7861896   -3.3970463   -2.7550332
H     5.5774496   -3.4154003   -3.8381353
H     6.7969846   -2.9893873   -2.6127872
H     5.7921006   -4.4452564   -2.4112182
C    -5.3848824    4.2190963   -2.3607932
H    -5.2246584    4.2723393   -3.4509593
H    -6.4496576    4.0103813   -2.1854162
H    -5.1642174    5.2205594   -1.9542032
Zr   -0.1090540   -0.2681291    0.2945940
C    -2.2272402    4.2565443   -2.4716272
H    -2.5685002    4.5686594   -3.4706873
H    -2.2014772    5.1682264   -1.8481522
C    -0.8396360    3.5776783   -2.5125072
H    -0.7154800    3.0793152   -3.4878493
H    -0.0119690    4.2907533   -2.3981412
C     1.2180901   -3.7488934   -2.6215772
H     0.5846241   -4.6366504   -2.4889722
H     0.9165721   -3.2654123   -3.5640853
C     2.7220673   -4.0947304   -2.6977352
H     3.0578813   -4.2763804   -3.7303533
H     2.9436653   -5.0152005   -2.1284112
C    -0.5830520   -2.1935562    1.5056251
H    -1.6823611   -2.2140782    1.5341891
H    -0.1485160   -3.1883963    1.3579791
C     0.0331720   -1.4042252    2.5683372
C     1.2869452   -1.7310742    3.1589183
C    -0.4970890   -0.1083870    2.8531093
C     1.9290442   -0.8472121    4.0132924
H     1.7289622   -2.7072783    2.9483113
C     0.1803751    0.7937470    3.7059313
H    -1.5182291    0.1300190    2.5325332
C     1.3886452    0.4278450    4.2848404
H     2.8713593   -1.1419161    4.4804034
H    -0.2732020    1.7609171    3.9333293
H     1.9097122    1.1112361    4.9572504
C     4.8536415    0.4777500    0.3327840
C     5.8710356   -0.1236970    1.3482321
C     5.6228795    1.4356351   -0.6240411
C     3.8518634    1.3371621    1.1435171
H     6.6098416   -0.7474431    0.8184481
H     5.3323345   -0.7911381    2.0443142
C     6.6017676    0.9854431    2.1272542
H     4.9090215    1.8861231   -1.3377251
H     6.3538146    0.8686760   -1.2237501
C     6.3544236    2.5384572    0.1635000
H     3.2890853    0.6985340    1.8411832
H     3.1176633    1.7964951    0.4619610
C     4.5792184    2.4488622    1.9279452
H     7.3180617    0.5185550    2.8236813
C     7.3569297    1.8943791    1.1394521
C     5.5779195    1.8202031    2.9147853
H     6.8935337    3.1859112   -0.5480880
C     5.3302925    3.3715243    0.9523451
H     3.8266444    3.0331862    2.4854052
H     8.1074088    1.3076951    0.5808051
H     7.9057338    2.6780722    1.6893481
H     5.0447795    1.1801901    3.6407603
H     6.0900336    2.6083732    3.4933513
H     5.8388496    4.1795513    1.5060251
H     4.6183214    3.8545023    0.2585550
C    -5.1185584    0.0048190    0.3951880
C    -4.2673123   -1.0837951    1.0913251
C    -5.9981085    0.6763330    1.4910151
C    -6.0580675   -0.7171741   -0.6158111
H    -3.5960993   -0.6143831    1.8296902
H    -3.6306173   -1.5902272    0.3474020
C    -5.1583994   -2.1239162    1.8004702
H    -6.6291555    1.4610961    1.0420581
H    -5.3418175    1.1770501    2.2250612
C    -6.8933046   -0.3612651    2.1944432
H    -5.4442394   -1.2141782   -1.3891381
H    -6.6890655    0.0204000   -1.1385521
C    -6.9546016   -1.7471532    0.0958720
H    -4.5073404   -2.8759583    2.2787652
C    -6.0136265   -1.4259462    2.8718003
C    -6.0745985   -2.8111933    0.7733961
H    -7.5050496    0.1543720    2.9532353
C    -7.8124217   -1.0343421    1.1581281
H    -7.6099576   -2.2250152   -0.6513371
H    -5.3641574   -0.9559861    3.6317313
H    -6.6430025   -2.1647752    3.3970593
H    -5.4695364   -3.3422383    0.0162560
H    -6.7039245   -3.5683294    1.2719541
H    -8.4771547   -1.7604552    1.6566821
H    -8.4614477   -0.2802651    0.6788491
121
 MM_1(FM)
Zr    0.0017330   -1.2759920    0.4312790
N     1.6065612   -2.5142811    1.8410861
N     0.0062570   -0.2535299    2.5925482
C     1.9501382   -1.7350810    3.0826032
H     3.0415333   -1.7006250    3.2183013
H     1.5357012   -2.2779081    3.9438813
C     1.4198191   -0.3092639    3.0608802
H     2.0095582    0.3190791    2.3802132
H     1.5046051    0.1127571    4.0779823
O    -1.7423061   -0.3466650    0.3942970
O     1.6153572   -0.2188739   -0.0010780
C     2.8182383   -2.7248121    0.9280080
H     2.3831123   -3.2279802    0.0446580
C    -0.3956800    1.2051582    2.4296602
H     0.3008620    1.5847272    1.6613981
C    -0.9113651   -0.9741370    3.5167973
H    -0.7490371   -0.6754570    4.5658494
H    -0.7472330   -2.0583611    3.4411683
H    -1.9482082   -0.7490300    3.2345733
C    -1.8257222    1.3804052    1.9931821
C    -4.4271524    1.9717662    1.4276181
C    -2.4406232    2.4316953    2.6730412
C    -2.4819042    0.6359891    1.0072491
C    -3.8406213    0.9081021    0.7097550
C    -3.7732654    2.7574573    2.3912262
H    -5.4698065    2.2136402    1.2211121
C     3.5505363   -1.4774120    0.4896470
C     5.2054825    0.5072422   -0.4213111
C     4.9331395   -1.6790930    0.5060620
C     2.9816713   -0.2992199   -0.0208780
C     3.8178023    0.7476652   -0.4866881
C     5.7969705   -0.6757059    0.0490230
C    -0.6438940   -3.3191882   -0.3987361
H    -1.7437011   -3.2191142   -0.3789921
H     5.8789475    1.2889933   -0.7726691
H    -0.3461280   -4.3270103   -0.0898070
C    -0.0479140   -2.8643042   -1.6681952
C     1.0956502   -3.4739392   -2.2515812
C    -0.4974250   -1.6455841   -2.2442502
C     1.7233512   -2.9104271   -3.3571243
H     1.4532122   -4.4257123   -1.8496762
C     0.1503470   -1.0782440   -3.3584213
H    -1.4381351   -1.2049430   -1.8978362
C     1.2609061   -1.7036750   -3.9141614
H     2.5806573   -3.4182172   -3.8047024
H    -0.2434280   -0.1590229   -3.7964154
H     1.7606132   -1.2747500   -4.7840475
C    -1.4610172    3.0947563    3.6130463
H    -1.8912092    3.3393174    4.5964204
H    -1.1020171    4.0454014    3.1799982
C    -0.3060570    2.0693243    3.7183133
H    -0.4751991    1.4320882    4.6012644
H     0.6772450    2.5450543    3.8372283
C     5.2688595   -3.0798411    0.9574250
H     6.0938966   -3.1226921    1.6853151
H     5.5830115   -3.6890202    0.0912700
C     3.9414604   -3.6043612    1.5478161
H     3.7860044   -4.6755473    1.3605211
H     3.9533694   -3.4638302    2.6410912
C     1.1323042   -3.8704302    2.2612592
H     0.1297961   -3.7999502    2.7063532
H     1.0803962   -4.5264293    1.3860461
H     1.8189452   -4.3112933    3.0012692
C    -4.4767764    3.8957534    3.0872952
H    -5.5221395    3.9793344    2.7582132
H    -4.4758234    3.7604004    4.1821323
H    -3.9791434    4.8586765    2.8817632
C     7.2936807   -0.8627439    0.0449350
H     7.8057377    0.0291262   -0.3428091
H     7.6779317   -1.0596699    1.0601081
H     7.5880827   -1.7215280   -0.5820431
C     3.2737433    2.0725323   -1.0443801
C     2.4480182    2.8169464    0.0406190
C     4.4057244    3.0297874   -1.4980712
C     2.3629032    1.8110953   -2.2761402
H     3.0954002    3.0222224    0.9122380
H     1.6296721    2.1627583    0.3801130
C     1.8652181    4.1313465   -0.5126461
H     5.0174484    2.5442314   -2.2784282
H     5.0748414    3.2522344   -0.6482731
C     3.8316383    4.3496655   -2.0496102
H     1.5470071    1.1288922   -1.9943312
H     2.9551113    1.3046902   -3.0587793
C     1.7823771    3.1309044   -2.8191583
H     1.2754791    4.6234735    0.2802090
C     3.0129602    5.0553426   -0.9542941
C     0.9566410    3.8226434   -1.7177782
H     4.6703333    4.9947826   -2.3589292
C     2.9289772    4.0566185   -3.2605873
H     1.1324291    2.9065664   -3.6824094
H     3.6588153    5.2986256   -0.0921540
H     2.6096672    6.0090786   -1.3360202
H     0.1171970    3.1744974   -1.4058292
H     0.5146500    4.7565215   -2.1058182
H     2.5248152    4.9985946   -3.6698284
H     3.5145483    3.5787075   -4.0655564
C    -4.6475754    0.1163300   -0.3288081
C    -4.6688014   -1.3951251    0.0355540
C    -6.1211806    0.5896591   -0.4191061
C    -4.0232724    0.2943541   -1.7403552
H    -5.1405874   -1.5184321    1.0267671
H    -3.6367393   -1.7717761    0.1165860
C    -5.4402035   -2.2052672   -1.0238731
H    -6.1561685    1.6597021   -0.6882381
H    -6.6114366    0.4825370    0.5644930
C    -6.9022646   -0.2209780   -1.4721502
H    -2.9645593   -0.0090200   -1.7156582
H    -4.0413584    1.3651312   -2.0092412
C    -4.7924784   -0.5308770   -2.7895903
H    -5.4214664   -3.2718663   -0.7419331
C    -6.8952896   -1.7111062   -1.0895671
C    -4.7711274   -2.0212442   -2.3993442
H    -7.9400367    0.1499090   -1.5012462
C    -6.2490476   -0.0396460   -2.8539303
H    -4.3110764   -0.3978220   -3.7734274
H    -7.3902626   -1.8569432   -0.1132980
H    -7.4645756   -2.2968392   -1.8318002
H    -3.7311483   -2.3951242   -2.3711802
H    -5.3024414   -2.6175932   -3.1609903
H    -6.8098626   -0.6071911   -3.6164324
H    -6.2785625    1.0226161   -3.1537613
121
 MM_2(FM)
Zr    0.2665331   -1.1956391   -0.3906740
N     2.1167544   -2.7878241   -0.0158840
N     0.3427232   -1.6382751    2.0161322
C     2.4924924   -2.8043081    1.4401861
H     3.5811935   -2.6892630    1.5505421
H     2.2269805   -3.7881452    1.8524552
C     1.8200423   -1.6949720    2.2318442
H     2.2281203   -0.7172069    1.9319352
H     2.0470503   -1.8340900    3.3040043
O    -1.2747111   -0.0617641    0.0725670
O     1.7289012    0.0856711   -0.5498870
C     3.2743695   -2.3400630   -0.9146961
H     2.8252054   -2.3489380   -1.9259932
C    -0.1713130   -0.3595540    2.6813602
H     0.4689790    0.4238361    2.2417482
C    -0.3420198   -2.8329382    2.5717022
H    -0.0907768   -3.7261543    1.9860122
H    -1.4262379   -2.6682713    2.5148052
H    -0.0542568   -3.0018912    3.6237323
C    -1.6166941   -0.0789761    2.3911052
C    -4.2289854    0.6614378    2.1644742
C    -2.3860952    0.0183969    3.5488153
C    -2.1410822    0.1547749    1.1148841
C    -3.4837493    0.5774969    0.9676401
C    -3.7375393    0.3792668    3.4506103
H    -5.2712945    0.9734938    2.0948082
C     3.8313784   -0.9724018   -0.6161431
C     5.1603564    1.4020525   -0.3118490
C     5.2266905   -0.9704777   -0.6274571
C     3.0930863    0.2129922   -0.4981570
C     3.7505333    1.4554074   -0.3394960
C     5.9253525    0.2336944   -0.4600290
C    -0.4756439   -1.9071632   -2.4181232
H     0.1553952   -2.0112231   -3.3119133
H     5.7066994    2.3369956   -0.1864300
H    -1.2532880   -1.1426041   -2.6031632
C    -1.0282679   -3.1845143   -1.9144632
C    -1.7628929   -3.2021354   -0.6979481
C    -0.7500368   -4.4356284   -2.5204132
C    -2.1999909   -4.4121605   -0.1248120
H    -2.1323820   -2.2606163   -0.2699850
C    -1.1921297   -5.6265375   -1.9533682
H    -0.2042457   -4.4522904   -3.4673513
C    -1.9099998   -5.6255926   -0.7427941
H    -2.7980650   -4.3900945    0.7888911
H    -0.9897107   -6.5726486   -2.4607422
H    -2.2611908   -6.5644297   -0.3111500
C    -1.5559941   -0.3046751    4.7693974
H    -1.8459111   -1.2828592    5.1939095
H    -1.6867392    0.4322210    5.5771045
C    -0.0982300   -0.3095970    4.2399664
H     0.5015791   -1.1264410    4.6686914
H     0.4054410    0.6257351    4.5238784
C     5.7653917   -2.3447118   -0.9445051
H     6.5696018   -2.6671418   -0.2642950
H     6.1955577   -2.3535028   -1.9611672
C     4.5248476   -3.2677470   -0.8609021
H     4.5090477   -4.0237710   -1.6575401
H     4.5394047   -3.8138450    0.0960720
C     1.7521664   -4.1768642   -0.4291020
H     0.8062794   -4.4762383    0.0435160
H     1.6234174   -4.2064222   -1.5171811
H     2.5416205   -4.8900012   -0.1420810
C    -4.6196254    0.4857218    4.6694914
H    -4.6865124   -0.4781533    5.2020725
H    -4.2224734    1.2226979    5.3881115
H    -5.6393595    0.7937118    4.3989384
C     7.4328947    0.2774955   -0.4684010
H     7.8370967   -0.0916185   -1.4263491
H     7.8035416    1.3010476   -0.3176690
H     7.8583567   -0.3586385    0.3260730
C     2.9979391    2.7897995   -0.2350130
C     2.0451760    2.7900154    0.9936001
C     3.9625681    3.9922306   -0.0737700
C     2.1581420    3.0331164   -1.5224611
H     2.6396681    2.6350294    1.9124742
H     1.3350170    1.9522003    0.9072171
C     1.2640809    4.1155995    1.0824101
H     4.6536222    4.0358297   -0.9336211
H     4.5772632    3.8624767    0.8347151
C     3.1868920    5.3203677    0.0207540
H     1.4585730    2.1965253   -1.6755641
H     2.8360481    3.0576755   -2.3937122
C     1.3765009    4.3572845   -1.4201991
H     0.5903508    4.0743554    1.9555562
C     2.2498269    5.2853726    1.2407681
C     0.4351408    4.3078594   -0.2017770
H     3.9121770    6.1429678    0.1333320
C     2.3612609    5.5281037   -1.2611401
H     0.7839178    4.4910205   -2.3409182
H     2.8365620    5.1668237    2.1690302
H     1.6998518    6.2384677    1.3251011
H    -0.2900592    3.4823483   -0.3129810
H    -0.1477163    5.2429605   -0.1365400
H     1.8128128    6.4844167   -1.2081761
H     3.0286369    5.5858207   -2.1388822
C    -4.0974834    0.9690319   -0.3844520
C    -4.1133053   -0.2381242   -1.3617051
C    -5.5572266    1.4694728   -0.2415360
C    -3.2675544    2.1192380   -1.0242631
H    -4.7128623   -1.0557034   -0.9234061
H    -3.0877172   -0.6164872   -1.4941291
C    -4.6901524    0.1699498   -2.7312022
H    -5.5914296    2.3347019    0.4434260
H    -6.1858776    0.6761827    0.2002660
C    -6.1416166    1.8765418   -1.6081251
H    -2.2195513    1.8004041   -1.1410151
H    -3.2707305    2.9876561   -0.3423550
C    -3.8494315    2.5176800   -2.3939642
H    -4.6745733   -0.7077463   -3.3995073
C    -6.1365155    0.6625877   -2.5536262
C    -3.8323014    1.2982749   -3.3347533
H    -7.1765927    2.2251868   -1.4574061
C    -5.2962686    3.0093440   -2.2164002
H    -3.2311205    3.3249161   -2.8216273
H    -6.7655276   -0.1457084   -2.1405762
H    -6.5672436    0.9401407   -3.5310843
H    -2.7939873    0.9497499   -3.4859923
H    -4.2231524    1.5795659   -4.3278054
H    -5.7177547    3.3168820   -3.1889963
H    -5.3178207    3.8963100   -1.5591001
121
 MM_4(FM)
Zr   -0.0630020   -1.0806431    0.2865860
N    -1.4770621   -2.5029612   -1.0712791
N     1.0077101   -3.2118413    0.1709460
C    -1.0176921   -3.9358633   -1.0735831
H    -0.5128260   -4.1260434   -2.0303902
H    -1.8783162   -4.6180864   -1.0286621
C    -0.0803140   -4.2298214    0.0877510
H     0.3357600   -5.2473745   -0.0172540
H    -0.6271991   -4.1943924    1.0438341
O     1.7393502   -0.4304940   -0.1310040
O    -1.4665961    0.2144430   -0.2124070
C    -2.8618003   -2.3695972   -0.4350050
H    -2.7065102   -2.5928212    0.6379801
C     1.8481472   -3.1677933   -1.1054141
H     1.1493221   -2.8253402   -1.8900352
C     1.8572762   -3.4822913    1.3654481
H     2.3822132   -4.4466454    1.2715741
H     1.2143541   -3.5195103    2.2533612
H     2.5974422   -2.6798142    1.4769021
C     3.0138363   -2.2175572   -1.0075951
C     5.3214375   -0.7653931   -0.9625041
C     4.1805554   -2.7916692   -1.5123651
C     2.9700283   -0.9003491   -0.5296320
C     4.1629344   -0.1416860   -0.4521270
C     5.3726085   -2.0563912   -1.5130281
H     6.2562296   -0.2057960   -0.9345311
C    -3.4644773   -0.9917611   -0.6129041
C    -4.9079364    1.3030041   -0.9807231
C    -4.8321634   -1.0826251   -0.8777581
C    -2.8068472    0.2445820   -0.5094800
C    -3.5292483    1.4457531   -0.7203791
C    -5.5922235    0.0796950   -1.0566341
C    -0.2084640   -0.8496251    2.5227602
H    -0.2230580    0.2377700    2.7153232
H    -5.4962015    2.2068172   -1.1375911
H     0.6600741   -1.2857051    3.0445163
C    -1.4977701   -1.5079881    2.8826973
C    -1.5501691   -2.8651623    3.2831613
C    -2.7258162   -0.8120781    2.7858832
C    -2.7675782   -3.4999533    3.5518003
H    -0.6176961   -3.4146943    3.4437203
C    -3.9396823   -1.4447891    3.0610833
H    -2.7202072    0.2442770    2.5077852
C    -3.9709374   -2.7953112    3.4332943
H    -2.7730902   -4.5420474    3.8796273
H    -4.8688014   -0.8751531    2.9913333
H    -4.9207254   -3.2853553    3.6558843
C     3.9077653   -4.1741054   -2.0559892
H     4.6604334   -4.9187244   -1.7537312
H     3.9101163   -4.1571874   -3.1601023
C     2.4989232   -4.5196984   -1.5123321
H     2.5999232   -5.1613025   -0.6230321
H     1.8886112   -5.0728774   -2.2406552
C    -5.2797205   -2.5240962   -0.8767301
H    -5.9902795   -2.7658552   -1.6816091
H    -5.7811805   -2.7686762    0.0765290
C    -3.9560603   -3.3095553   -1.0115511
H    -3.9915413   -4.2815284   -0.4996870
H    -3.7553263   -3.4964483   -2.0791732
C    -1.4824501   -1.9874912   -2.4753142
H    -0.4603080   -2.0379052   -2.8785233
H    -2.1423422   -2.5910832   -3.1192373
H    -1.8262492   -0.9467031   -2.4850552
C     6.6537806   -2.6243792   -2.0702882
H     6.5520776   -2.8616083   -3.1429363
H     7.4857737   -1.9150572   -1.9591732
H     6.9354006   -3.5603363   -1.5587851
C    -7.0751906    0.0233970   -1.3263781
H    -7.4967247    1.0312901   -1.4460201
H    -7.2953227   -0.5467160   -2.2448992
H    -7.6141937   -0.4740870   -0.5024080
C    -2.8743983    2.8341393   -0.6873741
C    -1.7706752    2.9297993   -1.7793522
C    -3.8979073    3.9660753   -0.9630591
C    -2.2389712    3.1126923    0.7041911
H    -2.2286532    2.7546062   -2.7692342
H    -1.0185501    2.1406312   -1.6195061
C    -1.0909231    4.3120944   -1.7463912
H    -4.7004604    3.9392243   -0.2050350
H    -4.3718604    3.8117083   -1.9483112
C    -3.2222883    5.3502654   -0.9376761
H    -1.5027631    2.3285142    0.9407501
H    -3.0282673    3.0689483    1.4760441
C    -1.5547421    4.4935094    0.7232011
H    -0.3048970    4.3406174   -2.5200092
C    -2.1318142    5.4100905   -2.0215362
C    -0.4606220    4.5366124   -0.3597810
H    -3.9877604    6.1180385   -1.1378681
C    -2.5947262    5.5919965    0.4460760
H    -1.1000981    4.6518574    1.7158892
H    -2.5795862    5.2690445   -3.0210773
H    -1.6489271    6.4025686   -2.0203622
H     0.2970150    3.7591223   -0.1614410
H     0.0596020    5.5098075   -0.3328490
H    -2.1171622    6.5865026    0.4784620
H    -3.3762003    5.5825375    1.2262371
C     4.2317554    1.2524961    0.1870090
C     5.6714395    1.8284302    0.1722980
C     3.3163943    2.2615522   -0.5605621
C     3.7837023    1.1661131    1.6751811
H     6.0311656    1.9129242   -0.8683101
H     6.3556886    1.1422241    0.7016331
C     5.7259955    3.2140683    0.8431841
H     2.2804032    1.8878592   -0.5750091
H     3.6500373    2.3420882   -1.6102541
C     3.3667633    3.6440683    0.1197370
H     4.4492204    0.4655980    2.2108452
H     2.7615612    0.7585971    1.7340872
C     3.8293843    2.5542992    2.3417742
H     6.7651836    3.5805383    0.8072211
C     4.8052094    4.1874024    0.0880330
C     5.2682075    3.0967053    2.3075712
H     2.6996922    4.3323824   -0.4249880
C     2.8985763    3.5177183    1.5823651
H     3.4918743    2.4583382    3.3877843
H     5.1454645    4.3019674   -0.9562031
H     4.8456684    5.1874555    0.5532520
H     5.9423415    2.4228322    2.8652213
H     5.3159295    4.0829064    2.8006972
H     2.9032463    4.5091044    2.0676232
H     1.8582702    3.1467503    1.6196811
121
 MM_5(MM)
Zr   -0.1473040   -1.1734501    0.1424760
N    -1.8815282   -2.5050532   -0.7980371
N     0.8701011   -3.2254853   -0.6802081
C    -1.5177521   -3.9264853   -0.5407770
H    -2.2671692   -4.6095784   -0.9781701
H    -1.5344031   -4.0743114    0.5526670
C    -0.1474070   -4.2305834   -1.1296161
H    -0.1961590   -4.1970114   -2.2264052
H     0.1663860   -5.2498365   -0.8530541
O     1.6635431   -0.5102940   -0.2128880
O    -1.4660251    0.2386940   -0.2207560
C    -3.1818543   -2.1591052   -0.0912170
H    -2.9665843   -2.3223602    0.9798491
C     1.8263352   -2.9219993   -1.8341232
H     1.1827851   -2.4319122   -2.5902352
C     1.5954181   -3.7332833    0.5210930
H     2.2940102   -2.9656633    0.8817061
H     2.1618112   -4.6506624    0.2927800
H     0.8637621   -3.9662793    1.3087041
C     2.9760503   -2.0260342   -1.4556711
C     5.2717655   -0.6298841   -0.9747341
C     4.1693104   -2.4677482   -2.0302632
C     2.9058813   -0.8625101   -0.6782971
C     4.0901014   -0.1452190   -0.3760270
C     5.3544504   -1.7553582   -1.8109662
H     6.2003596   -0.0942830   -0.7779151
C    -3.6264023   -0.7359411   -0.3403700
C    -4.8151584    1.6811641   -0.7994641
C    -5.0152604   -0.6762991   -0.4749080
C    -2.8183262    0.4093760   -0.4130030
C    -3.4093133    1.6687131   -0.6853111
C    -5.6459835    0.5546580   -0.6900491
C    -0.0753850   -1.1208511    2.3907022
H     0.0478830   -0.0530150    2.6457472
H    -5.3044565    2.6354542   -0.9925941
H     0.8220701   -1.6609411    2.7419922
C    -1.3377901   -1.6911041    2.9452163
C    -1.4484161   -3.0666423    3.2541383
C    -2.4826002   -0.8840751    3.1352643
C    -2.6513422   -3.6138913    3.7142173
H    -0.5633430   -3.7071113    3.1807803
C    -3.6805973   -1.4301211    3.6010133
H    -2.4232282    0.1864850    2.9234123
C    -3.7766523   -2.7994892    3.8833983
H    -2.7022912   -4.6763664    3.9633504
H    -4.5447844   -0.7795021    3.7518873
H    -4.7120084   -3.2223103    4.2548534
C     3.9293743   -3.6895893   -2.8847883
H     4.6925484   -4.4723084   -2.7559952
H     3.9361353   -3.4154543   -3.9546523
C     2.5242692   -4.1675614   -2.4489132
H     2.6317792   -4.9451104   -1.6758871
H     1.9486482   -4.6066694   -3.2757933
C    -5.6225345   -2.0503232   -0.3118570
H    -6.4392276   -2.2576452   -1.0197861
H    -6.0417225   -2.1663472    0.7034691
C    -4.4169924   -2.9965483   -0.5130490
H    -4.5068684   -3.9319823    0.0564500
H    -4.3411724   -3.2544123   -1.5822251
C    -1.9584072   -2.2178302   -2.2597812
H    -2.5128792   -3.0058333   -2.7960792
H    -2.4658372   -1.2554751   -2.4019582
H    -0.9472561   -2.1508702   -2.6882252
C     6.6614046   -2.1792192   -2.4329422
H     6.9293886   -3.2096623   -2.1443132
H     6.6048626   -2.1575692   -3.5344653
H     7.4827107   -1.5174571   -2.1242402
C    -7.1450056    0.6683811   -0.8128371
H    -7.4517077    1.7071181   -0.9995731
H    -7.5292096    0.0478600   -1.6401481
H    -7.6491137    0.3261460    0.1067460
C    -2.5939312    2.9542323   -0.8888751
C    -1.6483921    2.7862552   -2.1132722
C    -3.5038423    4.1778964   -1.1716301
C    -1.7414102    3.2892243    0.3670930
H    -2.2561632    2.5658722   -3.0090593
H    -0.9778231    1.9265902   -1.9495262
C    -0.8141401    4.0621944   -2.3381042
H    -4.1935574    4.3357974   -0.3238050
H    -4.1220184    3.9872723   -2.0663552
C    -2.6726672    5.4544855   -1.3985921
H    -1.0789631    2.4429222    0.6053731
H    -2.4139032    3.4348343    1.2312431
C    -0.9019281    4.5601394    0.1293850
H    -0.1475120    3.9041383   -3.2029183
C    -1.7475592    5.2535315   -2.6114412
C     0.0272660    4.3471294   -1.0809701
H    -3.3624693    6.2924515   -1.5924551
C    -1.8325822    5.7533385   -0.1450250
H    -0.2970090    4.7590794    1.0303841
H    -2.3464002    5.0687864   -3.5207773
H    -1.1553761    6.1668796   -2.7938922
H     0.7129941    3.5040373   -0.8904181
H     0.6520231    5.2434825   -1.2391081
H    -1.2408491    6.6730686   -0.2941800
H    -2.4922742    5.9297805    0.7227591
C     4.1247024    1.0556311    0.5800871
C     3.6314713    0.6158531    1.9889872
C     5.5563695    1.6253421    0.7519441
C     3.2208753    2.2087422    0.0641380
H     4.2903734   -0.1868170    2.3662212
H     2.6151632    0.1985110    1.9130452
C     3.6335513    1.8060212    2.9674193
H     5.9486695    1.9569242   -0.2255520
H     6.2323475    0.8367401    1.1267131
C     5.5699795    2.8120232    1.7348772
H     2.1920302    1.8413532   -0.0731380
H     3.5849063    2.5384652   -0.9249231
C     3.2296083    3.3902123    1.0541101
H     3.2641893    1.4615151    3.9483814
C     5.0654984    2.3487752    3.1128493
C     2.7139102    2.9169433    2.4263862
H     6.6047376    3.1819743    1.8236192
C     4.6612464    3.9325603    1.2019521
H     2.5718052    4.1847874    0.6653791
H     5.7292345    1.5651301    3.5188743
H     5.0842254    3.1904253    3.8265223
H     1.6773341    2.5434062    2.3345832
H     2.6883832    3.7637253    3.1339103
H     4.6741174    4.7932684    1.8928022
H     5.0328334    4.2942674    0.2270710
