45
 1_CNC_tBu_BiCF3_ElimTS
Bi    0.5798526    0.1815268   -0.7061285
F     3.9683850    0.6304024   -1.8171391
F     4.2605248   -0.5928272   -0.1028061
F     2.5558625    1.0519782    0.0377448
N    -1.9648559   -0.3159772   -0.3067276
C     1.6363143   -1.9745536    1.4915916
H     2.6269848   -1.7128290    1.1179709
C     0.4992939   -1.3197261    0.9962716
C     0.4533525    2.8510089    1.2091724
H     1.5405950    2.7539923    1.2102080
C    -0.3170741    1.9075746    0.5136947
C    -1.7202094    2.0260053    0.5065861
C    -0.7730977   -1.6538523    1.4940179
C     3.3139914   -0.1895200   -0.9778676
C    -2.3221714   -0.6799710   -2.7606627
H    -2.8113791    0.2872962   -2.9495160
H    -2.7118686   -1.3924450   -3.5042064
H    -1.2412579   -0.5659486   -2.9409603
C    -2.3349168    3.0748706    1.2095327
H    -3.4263546    3.1574369    1.2191554
C    -0.1657616    3.9024169    1.8964090
H     0.4418635    4.6319466    2.4378347
C    -1.5602832    4.0133515    1.8977029
H    -2.0473731    4.8264693    2.4409703
C     1.5091050   -2.9639181    2.4743759
H     2.4003269   -3.4691462    2.8542396
C    -2.5689409    1.0490974   -0.2846986
H    -3.5934376    1.0205819    0.1297301
H    -2.6520242    1.3948737   -1.3261062
C    -4.1295107   -1.3451638   -1.1584652
H    -4.3970224   -1.7179041   -0.1573616
H    -4.5327720   -2.0593796   -1.8932282
H    -4.6382794   -0.3821996   -1.3187943
C    -2.6030859   -1.2292174   -1.3499513
C     0.2444272   -3.3069916    2.9615604
H     0.1389553   -4.0842601    3.7219799
C    -1.9676115   -2.6258678   -1.2506954
H    -0.8742999   -2.5817373   -1.3745766
H    -2.3770830   -3.2604610   -2.0521769
H    -2.1786553   -3.1179595   -0.2905071
C    -0.8902286   -2.6527332    2.4737031
H    -1.8788982   -2.9154231    2.8632188
C    -2.0060788   -0.8782215    1.0789709
H    -2.9144003   -1.4877433    1.2240163
H    -2.0954304   -0.0135525    1.7561768
45
 1_CNC_tBu_BiCF3
Bi    0.5589100   -0.0980475   -0.8882689
F     3.1965644   -1.7907218   -1.0789114
F     3.2830944   -0.6743616    0.7963455
F     3.6870258    0.3429512   -1.0914153
N    -2.0090780    0.5171883   -0.0488443
C     0.6763626   -2.7824495    0.9152482
H     1.6017510   -2.9573175    0.3623458
C    -0.0601723   -1.6057050    0.7081315
C     1.8049944    2.2534045    1.0001119
H     2.7505325    1.7406185    0.8210913
C     0.6117794    1.7546909    0.4535829
C    -0.5974437    2.4351183    0.6997402
C    -1.2512051   -1.3953818    1.4254452
C     2.8668622   -0.5848506   -0.5003481
C    -2.8602311    0.5756558   -2.3952610
H    -2.9189894    1.6709602   -2.4855843
H    -3.6168499    0.1534301   -3.0749688
H    -1.8683088    0.2493044   -2.7451570
C    -0.5898213    3.5868245    1.5039178
H    -1.5330909    4.1025844    1.7093894
C     1.8026900    3.4119052    1.7860217
H     2.7405775    3.7845360    2.2048606
C     0.6019851    4.0795414    2.0409644
H     0.5899419    4.9775327    2.6629054
C     0.2413001   -3.7438544    1.8351955
H     0.8247839   -4.6551790    1.9867201
C    -1.9121330    1.9883844    0.0845442
H    -2.7468960    2.4027387    0.6828419
H    -1.9979856    2.4229575   -0.9229077
C    -4.5061558    0.6128012   -0.5006379
H    -4.7488041    0.2932713    0.5253996
H    -5.2966033    0.2242292   -1.1621322
H    -4.5509427    1.7123587   -0.5410413
C    -3.1353552    0.0757553   -0.9643054
C    -0.9393897   -3.5339912    2.5530619
H    -1.2883530   -4.2794023    3.2714592
C    -3.1815082   -1.4608663   -1.0083029
H    -2.2146185   -1.8814256   -1.3238133
H    -3.9484392   -1.7734261   -1.7345009
H    -3.4413303   -1.9022498   -0.0353669
C    -1.6786934   -2.3664266    2.3455963
H    -2.6037595   -2.2027482    2.9077856
C    -2.0414813   -0.1053714    1.2989261
H    -3.0794745   -0.2635178    1.6440467
H    -1.5935833    0.6264481    1.9908903
42
 1_CNC_tBu_BiF
Bi   -0.2453437   -0.5788147   -1.1509126
F    -1.0016624   -2.5400143   -1.3132148
N     0.4844028    1.5917521    0.2984409
C    -1.9108374   -0.0342498    0.2862020
C    -2.9287541   -0.9556802    0.5606354
C    -3.9544903   -0.6196785    1.4523374
C    -3.9542213    0.6343463    2.0738911
C    -2.9316816    1.5509151    1.8068056
C    -1.9060414    1.2279592    0.9035911
C    -0.8261038    2.2432157    0.5737907
C     1.0099200    1.0052303    1.5666546
C     1.6297711   -0.3733495    1.4357887
C     2.5845321   -0.7975805    2.3743410
C     3.0597359   -2.1128698    2.3592137
C     2.5734866   -3.0236060    1.4147352
C     1.6263326   -2.6066035    0.4718809
C     1.1674894   -1.2827072    0.4717197
C     1.4744699    2.5131949   -0.3964701
C     0.9457273    2.8792568   -1.7956944
C     1.7173550    3.8130525    0.3988895
C     2.8070647    1.7671629   -0.5780158
H    -2.8961974   -1.9359333    0.0771535
H    -4.7489876   -1.3381190    1.6698983
H    -4.7473196    0.8979583    2.7776475
H    -2.9298779    2.5249365    2.3063214
H    -1.1189410    2.8018068   -0.3280810
H    -0.7448585    2.9796424    1.3957348
H     1.7115760    1.7001778    2.0606077
H     0.1443973    0.9065573    2.2421374
H     2.9510293   -0.0969356    3.1316385
H     3.8060352   -2.4280475    3.0923895
H     2.9321809   -4.0560093    1.4124655
H     1.2195069   -3.3118596   -0.2575973
H     0.0340074    3.4945886   -1.7616550
H     1.7126370    3.4637432   -2.3276052
H     0.7356406    1.9770147   -2.3918300
H     2.0866410    3.6132994    1.4171651
H     2.4798700    4.4197902   -0.1144977
H     0.8038084    4.4230146    0.4747257
H     2.6669339    0.8275955   -1.1346793
H     3.4999816    2.4052824   -1.1486953
H     3.2870772    1.5229317    0.3805666
41
 1_CNC_tBu_Bi+
Bi   -0.0774206   -0.2456575   -1.2418543
N     0.0853251    1.3006733    0.5617476
C    -1.9152576   -0.6594162    0.0003450
C    -2.7425828   -1.7863836   -0.0801916
C    -3.8707003   -1.8767073    0.7436090
C    -4.1670803   -0.8465317    1.6424375
C    -3.3416690    0.2787780    1.7232929
C    -2.2140909    0.3844629    0.8952497
C    -1.3470422    1.6246230    0.9194564
C     0.6742713    0.5021333    1.7163407
C     1.5938844   -0.6249051    1.3108152
C     2.5828221   -1.0889882    2.1901742
C     3.3679325   -2.1935024    1.8442378
C     3.1823968   -2.8377984    0.6166727
C     2.2083921   -2.3741607   -0.2752982
C     1.4102991   -1.2789627    0.0801526
C     0.9125207    2.5694318    0.2079296
C     0.3649215    3.1891543   -1.0868435
C     0.8221147    3.6063022    1.3430365
C     2.3740800    2.1598039   -0.0189999
H    -2.5192563   -2.6022129   -0.7717042
H    -4.5153089   -2.7558088    0.6856962
H    -5.0435719   -0.9211059    2.2883376
H    -3.5777364    1.0774344    2.4314187
H    -1.7135548    2.3638714    0.1930312
H    -1.3651041    2.0964737    1.9138381
H     1.1716224    1.2010785    2.4039992
H    -0.1894167    0.0733015    2.2480389
H     2.7392274   -0.5916845    3.1511122
H     4.1349539   -2.5473650    2.5353310
H     3.8029080   -3.6943550    0.3468925
H     2.0826440   -2.8749751   -1.2383195
H    -0.6728267    3.5417980   -0.9971775
H     0.9820603    4.0626169   -1.3444793
H     0.4300311    2.4893684   -1.9380992
H     1.1648966    3.2086914    2.3100512
H     1.4785398    4.4517540    1.0895196
H    -0.1957182    4.0049458    1.4629793
H     2.4716898    1.4077547   -0.8192318
H     2.9403289    3.0500733   -0.3303571
H     2.8509544    1.7592098    0.8862961
43
 2_CNC_Ph_BiCF3_ElimTS
Bi    0.5462383   -0.1882618   -0.7668963
F     3.1496459   -1.8018825   -2.5862497
F     3.4421896   -2.6219095   -0.6483875
F     2.8134504   -0.3276357   -0.7521684
N    -1.6723444    0.7925177    0.2612652
C     1.2106365   -2.0723393    1.8031548
H     2.0282886   -2.4395517    1.1819895
C     0.3714532   -1.0512162    1.3332861
C     2.2443165    2.4544661    0.2631399
H     3.1173152    1.8200822    0.0988167
C     0.9655520    1.9387244    0.0110138
C    -0.1635418    2.7549710    0.2201008
C    -0.6722284   -0.5759610    2.1501593
C     2.5402797   -1.9641823   -1.4033129
C    -0.0036313    4.0668348    0.6921314
H    -0.8829710    4.6943945    0.8675302
C     2.3993201    3.7691881    0.7220234
H     3.3999671    4.1632621    0.9170373
C     1.2762070    4.5741992    0.9385394
H     1.3941848    5.5963963    1.3053704
C     1.0103293   -2.6255459    3.0737602
H     1.6693768   -3.4213651    3.4288090
C    -1.5433888    2.2255299   -0.1154930
H    -2.3300586    2.8358068    0.3665837
H    -1.7029272    2.2855762   -1.2043324
C    -0.0358886   -2.1661852    3.8790270
H    -0.2042780   -2.6021912    4.8663744
C    -0.8721198   -1.1461394    3.4176821
H    -1.6876546   -0.7830286    4.0504736
C    -1.5299748    0.6042653    1.7407182
H    -2.5319759    0.5365749    2.1966419
H    -1.0500545    1.5212629    2.1188896
C    -2.8240061    0.1082950   -0.2894191
C    -2.9750341   -1.2699975   -0.0425547
C    -3.7870464    0.7640711   -1.0738458
C    -4.0589698   -1.9690050   -0.5752077
C    -4.8651122    0.0499783   -1.6113298
C    -5.0096472   -1.3163277   -1.3678674
H    -4.1525988   -3.0379790   -0.3725019
H    -5.6005289    0.5805162   -2.2200997
H    -5.8526474   -1.8675676   -1.7885514
H    -2.2383128   -1.7967009    0.5657743
H    -3.7190928    1.8337252   -1.2682569
43
 2_CNC_Ph_BiCF3
Bi    0.5187540   -0.1650405   -0.9244948
F     2.6820703   -2.2907063   -1.6874714
F     3.4309435   -1.1975395    0.0472774
F     3.4998319   -0.2741754   -1.9280375
N    -1.6401110    0.9182917    0.4977770
C     0.6740237   -2.7513122    1.0102509
H     1.3727984   -3.1084443    0.2509005
C     0.0946137   -1.4776979    0.8955790
C     2.5653561    1.9047237    0.5959187
H     3.3482815    1.2265625    0.2549820
C     1.2198600    1.6449976    0.2971166
C     0.2273932    2.5358571    0.7546278
C    -0.8092920   -1.0361539    1.8793255
C     2.7211616   -1.0447801   -1.1077828
C     0.5957851    3.6572708    1.5134934
H    -0.1795860    4.3378467    1.8781161
C     2.9246027    3.0351667    1.3415071
H     3.9773109    3.2230681    1.5660239
C     1.9396105    3.9113994    1.8034882
H     2.2135335    4.7886452    2.3938110
C     0.3709963   -3.5800229    2.0965824
H     0.8302213   -4.5685829    2.1712129
C    -1.2288130    2.3320388    0.3865150
H    -1.8763386    2.9944871    0.9932990
H    -1.3635496    2.6242524   -0.6669807
C    -0.5221911   -3.1401764    3.0774891
H    -0.7681719   -3.7806394    3.9275335
C    -1.1090815   -1.8775838    2.9640737
H    -1.8142692   -1.5359052    3.7281451
C    -1.4320448    0.3503333    1.8524270
H    -2.3882486    0.3416682    2.4047364
H    -0.7536421    1.0409870    2.3779958
C    -2.8827671    0.5703438   -0.1231549
C    -3.6244818    1.4885601   -0.8921737
C    -3.3831951   -0.7421667    0.0097280
C    -4.8116442    1.0962651   -1.5203877
C    -4.5729037   -1.1178607   -0.6152024
C    -5.2969737   -0.2057329   -1.3900380
H    -5.3640745    1.8320597   -2.1093475
H    -4.9310748   -2.1428973   -0.4957044
H    -2.8305881   -1.4789023    0.5926397
H    -3.2987125    2.5220939   -1.0010921
H    -6.2253958   -0.5050029   -1.8798568
40
 2_CNC_Ph_BiF
Bi   -0.4772489    0.1616985   -1.2453677
N     1.0096084   -0.8534049    0.7995447
C    -0.8061175    3.0382150    0.1104039
H    -1.3376548    3.2281031   -0.8256910
C    -0.3030364    1.7541541    0.3605146
C    -3.1776660   -1.0522446    0.0254330
H    -3.6350944   -0.3441513   -0.6708963
C    -1.7829364   -1.1502354    0.0723912
C    -1.1615912   -2.0360691    0.9698952
C     0.3288506    1.4690120    1.5815708
C    -1.9532705   -2.8178839    1.8246544
H    -1.4781215   -3.5017445    2.5348288
C    -3.9620010   -1.8448001    0.8735720
H    -5.0519086   -1.7697632    0.8398294
C    -3.3489433   -2.7254424    1.7716490
H    -3.9577454   -3.3383659    2.4403738
C    -0.6528565    4.0534334    1.0615619
H    -1.0433512    5.0545901    0.8626953
C     0.3491410   -2.1719945    0.9612008
H     0.7057274   -2.6929626    1.8703243
H     0.6430958   -2.7871523    0.0960754
C     0.0050681    3.7819522    2.2663684
H     0.1387890    4.5716739    3.0093976
C     0.4871789    2.4958686    2.5273434
H     0.9828686    2.2845836    3.4800431
C     0.7364014    0.0547333    1.9539208
H     1.6124429    0.0660952    2.6248345
H    -0.1002278   -0.3992830    2.5096010
C     2.3941838   -0.8829484    0.4041496
C     3.0930831   -2.0804474    0.1702253
C     3.0743505    0.3387380    0.2245515
C     4.4275984   -2.0507078   -0.2522168
C     4.4074154    0.3550392   -0.1869991
C     5.0945541   -0.8385845   -0.4345691
H     4.9473105   -2.9953518   -0.4276404
H     4.9090760    1.3158767   -0.3215661
H     2.5516262    1.2802159    0.4000170
H     2.6164770   -3.0476641    0.3253737
H     6.1358464   -0.8220763   -0.7615752
F    -2.1767996    1.1457235   -1.9923380
39
 2_CNC_Ph_Bi+
Bi   -0.4150806    0.2211729   -1.2352091
N     0.5777583   -0.8767240    0.6170817
C    -0.0249754    3.3037475   -0.2089776
H    -0.3853564    3.6238169   -1.1896318
C     0.0148179    1.9476483    0.1397496
C    -3.5184088   -0.2786225   -0.2192325
H    -3.8345417    0.5126566   -0.9028884
C    -2.1696222   -0.6319693   -0.0955773
C    -1.7767443   -1.6528897    0.7909296
C     0.5042762    1.5432832    1.3969256
C    -2.7477670   -2.3049809    1.5647508
H    -2.4532330   -3.0907203    2.2652757
C    -4.4809144   -0.9437713    0.5501686
H    -5.5332753   -0.6687058    0.4575282
C    -4.0949903   -1.9525071    1.4388726
H    -4.8460843   -2.4652497    2.0420716
C     0.4040647    4.2680125    0.7112758
H     0.3691656    5.3260874    0.4452362
C    -0.3218950   -2.0643809    0.8582732
H    -0.0793624   -2.5068933    1.8370522
H    -0.0829137   -2.8074059    0.0809619
C     0.8934459    3.8723061    1.9598770
H     1.2433734    4.6223774    2.6712288
C     0.9504564    2.5169544    2.3012681
H     1.3401866    2.2182594    3.2776076
C     0.4623652    0.0885485    1.7963221
H     1.2614123   -0.1681193    2.5070865
H    -0.5109544   -0.1294397    2.2640967
C     1.9922832   -1.2316057    0.3571139
C     2.5000846   -2.4928648    0.6895360
C     2.8329235   -0.2589577   -0.2026313
C     3.8481903   -2.7797572    0.4412571
C     4.1771958   -0.5555550   -0.4402942
C     4.6883171   -1.8182075   -0.1229227
H     4.2355916   -3.7676066    0.6958210
H     4.8232936    0.2067192   -0.8785311
H     2.4516220    0.7377182   -0.4367604
H     1.8729116   -3.2602532    1.1414795
H     5.7369291   -2.0501134   -0.3149540
32
 3_CSC_BiCF3_ElimTS
C    -2.2276358    1.5427568    0.8707131
H    -2.9001080    0.6850263    0.8940893
C    -0.9503926    1.4234603    0.3030783
C     1.5528187   -1.5650958    1.6973330
H     0.5994890   -1.9575755    2.0542864
C     1.5872629   -0.8427593    0.4935466
C     2.8259655   -0.3457685    0.0326963
C    -0.0876791    2.5410495    0.3029946
C     3.9893939   -0.5484837    0.7960052
H     4.9433961   -0.1439765    0.4442967
C     2.7195700   -1.7787102    2.4422234
H     2.6699478   -2.3374559    3.3801094
C     3.9396265   -1.2662116    1.9939493
H     4.8517239   -1.4175031    2.5756532
C    -2.6576991    2.7595748    1.4155404
H    -3.6579282    2.8345750    1.8484524
C    -1.8148852    3.8722476    1.3909231
H    -2.1477692    4.8285870    1.8003107
C    -0.5367557    3.7599365    0.8370634
H     0.1293608    4.6275091    0.8273607
C     1.3454383    2.4578186   -0.1682001
H     1.7644575    3.4562701   -0.3565943
H     1.9679274    1.9433199    0.5829879
S     1.5307189    1.4631473   -1.7164877
C     2.9665070    0.3831412   -1.2867362
H     3.8801479    0.9955313   -1.3155685
H     3.0118197   -0.3151982   -2.1400273
Bi   -0.3567638   -0.5249476   -0.7552617
F    -1.2665377   -1.8256782    0.9040594
C    -2.7216686   -1.7152256   -0.0666801
F    -2.8571590   -3.0172819   -0.3636546
F    -3.6065004   -1.5020615    0.9294247
32
 3_CSC_BiCF3
Bi   -0.1725831   -0.5227187   -0.9313027
F    -2.0792649   -2.8686518   -0.1547499
F    -0.9953147   -2.3215340    1.6606994
F    -0.0033782   -3.5045978    0.1187632
C    -2.8494491    0.2993266    0.6318684
H    -3.1111854   -0.7327019    0.3881468
C    -1.5808010    0.8027718    0.3073954
C     2.0470141   -1.1391508    1.3638197
H     1.3737580   -1.9652478    1.5916775
C     1.7381243   -0.2342845    0.3350560
C     2.6317073    0.8273761    0.0690231
C    -1.2605654    2.1359819    0.6398370
C    -0.8539602   -2.4488898    0.3100649
C     3.7867061    0.9714432    0.8581378
H     4.4646079    1.8075374    0.6620544
C     3.2118721   -0.9968709    2.1279734
H     3.4254073   -1.7116633    2.9261340
C     4.0836248    0.0640401    1.8777686
H     4.9883254    0.1927846    2.4760143
C    -3.8009358    1.1051297    1.2701333
H    -4.7853830    0.6962813    1.5096438
C    -3.4894506    2.4286829    1.5870035
H    -4.2267002    3.0685831    2.0769006
C    -2.2263306    2.9368789    1.2714141
H    -1.9783675    3.9717556    1.5248975
C     0.1129045    2.7205883    0.3975722
H     0.1160776    3.8061191    0.5696303
H     0.8559940    2.2542259    1.0651645
S     0.7007934    2.3960127   -1.3231356
C     2.4345600    1.8289589   -1.0503743
H     3.0777725    2.7078048   -0.8953813
H     2.7028964    1.3951246   -2.0291653
29
 3_CSC_BiF
Bi   -0.1015414   -1.1293158   -0.6201039
C    -2.6761996   -0.4346597    1.0859873
H    -2.5869346   -1.5086653    1.2691912
C    -1.6841276    0.2120163    0.3356106
C     2.0277234   -0.6434114    1.6850234
H     1.4898307   -1.5175036    2.0631449
C     1.6441890   -0.1041303    0.4497279
C     2.3046694    1.0295748   -0.0600475
C    -1.7419741    1.6065938    0.1535077
C     3.3300032    1.6222671    0.6983837
H     3.8375199    2.5139290    0.3177002
C     3.0617950   -0.0558586    2.4236031
H     3.3513953   -0.4769755    3.3896089
C     3.7107867    1.0800203    1.9297564
H     4.5104571    1.5522860    2.5050120
C    -3.7529083    0.2869146    1.6152278
H    -4.5253202   -0.2274052    2.1923137
C    -3.8384254    1.6646345    1.3952024
H    -4.6821644    2.2351099    1.7902075
C    -2.8346417    2.3199035    0.6756778
H    -2.8901964    3.4030200    0.5310556
C    -0.6074558    2.3910709   -0.4696889
H    -0.9464300    3.3780638   -0.8158591
H     0.1972025    2.5367682    0.2707373
S     0.1988524    1.5395033   -1.9001696
C     1.9794918    1.6186673   -1.4177850
H     2.3129100    2.6649433   -1.4907507
H     2.4758874    1.0607664   -2.2304671
F    -0.3150459   -2.4527555    1.0087029
28
 3_CSC_Bi+
Bi   -0.0897452   -1.2779512   -0.1034827
C    -2.7886802   -0.1981840    1.2825163
H    -2.7718866   -1.1575703    1.8057925
C    -1.7589024    0.1629290    0.4037181
C     2.0963439    0.0167636    1.9146949
H     1.6060120   -0.6020394    2.6704430
C     1.6485900    0.0240589    0.5866787
C     2.2965086    0.8275690   -0.3729792
C    -1.8068796    1.3920285   -0.2846240
C     3.3689963    1.6432530    0.0247714
H     3.8701474    2.2794471   -0.7090647
C     3.1754596    0.8229512    2.2963610
H     3.5138548    0.8199709    3.3341078
C     3.8070889    1.6367148    1.3520337
H     4.6431827    2.2726816    1.6473824
C    -3.8668918    0.6710769    1.4909516
H    -4.6684795    0.3871678    2.1751161
C    -3.9243762    1.8852302    0.8028702
H    -4.7723231    2.5568410    0.9467985
C    -2.9050489    2.2420293   -0.0864215
H    -2.9621894    3.1917498   -0.6235841
C    -0.6743626    1.8503964   -1.1684665
H    -1.0037048    2.5698904   -1.9308513
H     0.1488473    2.2863366   -0.5782797
S     0.1138036    0.4450715   -2.1155167
C     1.9123963    0.7931559   -1.8346424
H     2.1256584    1.7388855   -2.3546324
H     2.4174242   -0.0143903   -2.3906697
32
 4_SONCF3C_BiCF3
Bi    0.8606248   -0.4377026   -0.9161558
F     3.4048305   -1.9103147    0.1837356
F     3.0708687   -0.1331297    1.4064121
F     3.9324746    0.0726238   -0.5887510
C     0.3665035   -2.2020089    1.8227637
H     1.2767054   -2.7299226    1.5298003
C    -0.1341960   -1.1609010    1.0297063
C     1.6618474    2.6493935   -0.0708569
H     2.6525547    2.4101658   -0.4634551
C     0.6434099    1.6879707   -0.0936490
C    -0.5926186    2.0526904    0.4496892
C    -1.2846423   -0.5071966    1.4828660
C     2.9849331   -0.6047221    0.1377488
C    -0.8575181    3.3012502    1.0124398
H    -1.8456026    3.5159905    1.4230970
C     1.4224437    3.9190855    0.4750997
H     2.2270066    4.6579439    0.4853863
C     0.1729132    4.2470399    1.0118811
H    -0.0018263    5.2388101    1.4330617
C    -0.2899887   -2.5647879    3.0078164
H     0.1091269   -3.3828686    3.6118091
C    -1.4423346   -1.8907967    3.4271657
H    -1.9456899   -2.1845560    4.3502879
C    -1.9514257   -0.8359826    2.6633304
H    -2.8462984   -0.2842063    2.9553407
S    -1.9303746    0.8479599    0.4656815
O    -3.1643569    1.4110442    1.0915642
N    -1.8465890    0.3764501   -1.0695022
C    -2.7636535   -0.5904838   -1.5161230
F    -2.2159983   -1.2368740   -2.5758471
F    -3.9356817   -0.0633905   -1.9393943
F    -3.0948163   -1.5518264   -0.5995519
29
 4_SONCF3C_BiF
Bi    0.7577996   -1.2880199   -0.4503995
C    -0.4037710   -1.3744651    2.6268596
H     0.1665065   -2.3040649    2.6935663
C    -0.4140109   -0.6480068    1.4308712
C     3.0409534    1.0913499   -0.3006956
H     3.7624289    0.2723651   -0.3508906
C     1.6699576    0.8138673   -0.3238307
C     0.7954753    1.8961129   -0.1999029
C    -1.1012685    0.5676321    1.4235875
C     1.2029644    3.2234971   -0.0722919
H     0.4644661    4.0212962    0.0247055
C     3.4880457    2.4166284   -0.1877170
H     4.5608529    2.6232326   -0.1738905
C     2.5795130    3.4765586   -0.0831541
H     2.9411465    4.5032458   -0.0004347
C    -1.1064569   -0.8965098    3.7431310
H    -1.1025706   -1.4754962    4.6697458
C    -1.8050599    0.3161519    3.6897614
H    -2.3512277    0.6730390    4.5651731
C    -1.7949536    1.0819679    2.5186070
H    -2.3101584    2.0411994    2.4456485
S    -0.9667755    1.5396417   -0.1001514
O    -1.7924683    2.7804878   -0.0249361
N    -1.0614100    0.4785695   -1.3232480
C    -2.3344275   -0.0323677   -1.6412985
F    -2.1610409   -1.1965441   -2.3162385
F    -3.0576464    0.7857337   -2.4374116
F    -3.1337660   -0.3156928   -0.5684945
F     2.2755025   -2.0814767    0.7477691
28
 4_SONCF3C_Bi+
Bi    0.0923069   -1.2775683    0.8461134
C    -1.4497112    1.2061833    2.4955619
H    -1.5084143    0.5562872    3.3714368
C    -0.8510255    0.7698477    1.3100983
C     3.2928256   -0.3314338    0.5947226
H     3.5571508   -1.0787806    1.3459573
C     1.9665826   -0.1467028    0.1950848
C     1.7125516    0.8207998   -0.7825308
C    -0.8229403    1.6607106    0.2320556
C     2.6895383    1.6127428   -1.3817661
H     2.4315681    2.3420693   -2.1515046
C     4.3044037    0.4534794    0.0156177
H     5.3391496    0.3059058    0.3305694
C     4.0105494    1.4106626   -0.9617076
H     4.8123953    2.0005459   -1.4080269
C    -1.9968066    2.4990469    2.5588721
H    -2.4718475    2.8317667    3.4837390
C    -1.9527886    3.3603360    1.4569169
H    -2.3945595    4.3556967    1.5228367
C    -1.3515265    2.9496101    0.2603598
H    -1.3115535    3.5955211   -0.6182433
S    -0.0041112    1.0415449   -1.2510949
O    -0.2194942    1.8698258   -2.4568806
N    -0.4259807   -0.5928599   -1.2740282
C    -1.7317922   -0.9179331   -1.7967635
F    -2.0333692   -2.1519921   -1.3390440
F    -1.7310042   -0.9323646   -3.1259530
F    -2.7057298   -0.0743371   -1.3897301
43
 5_CNC_CH2CH2OMe_BiCF3_ElimTS
N    -0.8229441   -1.8787972   -0.7089761
C     1.9823402    0.0478060    1.9470162
H     2.3082802    1.0744361    1.7745862
C     0.9627391   -0.5084020    1.1604811
C    -2.7011892    1.5316281    0.9280231
H    -2.1002782    2.4002272    1.2065521
C    -2.1098262    0.5037220    0.1786070
C    -2.8863093   -0.6154891   -0.1826760
C     0.5362040   -1.8266572    1.4103741
C    -4.2276084   -0.7049481    0.2206900
H    -4.8223174   -1.5840751   -0.0475190
C    -4.0437834    1.4457561    1.3186641
H    -4.4941134    2.2506232    1.9055422
C    -4.8067034    0.3271770    0.9658401
H    -5.8515905    0.2534100    1.2764161
C     2.5836372   -0.7039511    2.9648513
H     3.3764763   -0.2594890    3.5715293
C    -2.2657032   -1.7090081   -1.0313651
H    -2.8103142   -2.6659642   -0.9078011
H    -2.3211002   -1.4443681   -2.1018282
C     2.1720772   -2.0192302    3.2008053
H     2.6431182   -2.6119182    3.9884753
C     1.1493701   -2.5760482    2.4275332
H     0.8159931   -3.6003863    2.6219862
C    -0.6558471   -2.4028952    0.6749401
H    -0.6173571   -3.5088723    0.6559651
H    -1.5655201   -2.1181662    1.2280421
C    -0.1609980   -2.7374182   -1.7164191
H    -0.5523760   -3.7728523   -1.6515041
H    -0.4193330   -2.3408602   -2.7110522
C     1.3542071   -2.7761902   -1.5894631
H     1.7520662   -3.4918973   -2.3366822
H     1.6696431   -3.1222183   -0.5866740
O     1.8478492   -1.4705901   -1.8421912
C     3.2512263   -1.3537931   -1.6175121
H     3.5089293   -1.6237921   -0.5773730
H     3.8152273   -2.0000612   -2.3161652
H     3.5107913   -0.3020860   -1.7956532
Bi    0.0563610    0.5644190   -0.6335811
F     0.1605590    2.5519362    0.4699620
C     1.7844292    2.7463272   -0.2553540
F     1.5282221    3.8510883   -0.9758561
F     2.4161112    3.2111453    0.8459531
43
 5_CNC_CH2CH2OMe_BiCF3
Bi   -0.1823441    0.4635012   -0.8133692
F    -0.0898054    3.5855394   -0.4071756
F    -1.3396679    2.7704986    1.1884440
F    -2.1448599    2.9593880   -0.8310004
N     0.4648560   -2.1352054   -0.2634678
C     1.8004721    1.5733391    1.4999669
H     1.5624976    2.5425406    1.0558772
C     1.1837873    0.4072814    1.0201709
C    -3.1086281    0.0436572    0.6310645
H    -3.1326401    1.1335584    0.6628865
C    -1.9901442   -0.6258117    0.1096252
C    -1.9892732   -2.0360099    0.0834058
C     1.4977373   -0.8310334    1.6105887
C    -1.0193548    2.6034645   -0.1290353
C    -3.0882103   -2.7454009    0.5928155
H    -3.0719573   -3.8398387    0.5863265
C    -4.2078695   -0.6716014    1.1228069
H    -5.0681905   -0.1324918    1.5271142
C    -4.1982497   -2.0688213    1.1056595
H    -5.0481285   -2.6324432    1.4973738
C     2.7177035    1.5156001    2.5570281
H     3.1875803    2.4329618    2.9202646
C    -0.8267741   -2.8041965   -0.5167585
H    -0.8257916   -3.8485539   -0.1412621
H    -0.9426328   -2.8622156   -1.6133813
C     3.0279746    0.2850164    3.1431643
H     3.7431910    0.2305586    3.9672153
C     2.4190087   -0.8805376    2.6695883
H     2.6579042   -1.8445315    3.1302191
C     0.7892474   -2.1016246    1.1790525
H     1.3799323   -2.9942019    1.4663877
H    -0.1675615   -2.1605289    1.7232359
C     1.5320820   -2.7429133   -1.0784921
H     1.7441992   -3.7767252   -0.7309317
H     1.1608941   -2.8085871   -2.1136302
C     2.8385421   -1.9650102   -1.0916186
H     3.5931993   -2.5626346   -1.6434151
H     3.2246273   -1.8007566   -0.0673669
O     2.6193298   -0.7260284   -1.7456526
C     3.7716295    0.1058034   -1.7227150
H     4.0650793    0.3553180   -0.6859249
H     4.6251114   -0.3813692   -2.2332595
H     3.5095341    1.0279618   -2.2589100
40
 5_CNC_CH2CH2OMe_BiF
Bi    0.1077483   -0.4865647   -1.0670858
N    -0.0034423    1.8190445    0.3074403
C    -1.7406769   -2.0670904    1.0236646
H    -1.5870497   -2.8718405    0.2996329
C    -1.0761569   -0.8476689    0.8365256
C     3.0021243   -1.1546990    0.2005463
H     2.7397081   -2.1569692   -0.1501802
C     2.0853467   -0.1135563    0.0102708
C     2.3860576    1.1825449    0.4651244
C    -1.2044751    0.1743621    1.7922102
C     3.6052850    1.4220695    1.1178095
H     3.8390827    2.4252599    1.4884793
C     4.2224585   -0.9075829    0.8419962
H     4.9371975   -1.7208196    0.9934795
C     4.5228223    0.3810551    1.2986310
H     5.4705013    0.5761881    1.8062747
C    -2.5638316   -2.2610032    2.1400637
H    -3.0815334   -3.2133087    2.2814160
C     1.3958642    2.3073299    0.2243399
H     1.5704477    3.1431183    0.9320142
H     1.5276679    2.7180276   -0.7920713
C    -2.7192574   -1.2321485    3.0758983
H    -3.3655764   -1.3731214    3.9455686
C    -2.0349886   -0.0237339    2.9075687
H    -2.1368725    0.7672473    3.6577417
C    -0.3434076    1.4198835    1.6980478
H    -0.8083500    2.2690474    2.2362260
H     0.6108814    1.2026413    2.2054942
C    -0.9393154    2.8277783   -0.2278914
H    -0.9362642    3.7359497    0.4108978
H    -0.5801266    3.1198531   -1.2275820
C    -2.3721112    2.3349458   -0.3552966
H    -3.0101501    3.1865616   -0.6681202
H    -2.7593007    1.9623448    0.6125791
O    -2.4083333    1.3073954   -1.3322817
C    -3.6894182    0.6968028   -1.4289095
H    -3.9809622    0.2268891   -0.4714173
H    -4.4603005    1.4355262   -1.7215298
H    -3.6152556   -0.0754281   -2.2063906
F     0.5284430   -2.5556120   -1.1424237
39
 5_CNC_CH2CH2OMe_Bi+
Bi   -0.0389033   -0.5634843   -0.9738021
N    -0.1319714   -0.7671473    1.4069480
C     1.9458307    2.0351813   -1.1196421
H     1.9687555    1.8921034   -2.2029655
C     1.1387814    1.2319647   -0.3032535
C    -2.9761430    0.9594324   -1.1509023
H    -2.6830087    1.3039220   -2.1461496
C    -2.1005261    0.1990279   -0.3641064
C    -2.5044197   -0.2331972    0.9130460
C     1.1298427    1.4160108    1.0919889
C    -3.7711240    0.1149230    1.4034062
H    -4.0832945   -0.2088666    2.3999325
C    -4.2436829    1.2968722   -0.6608081
H    -4.9217186    1.8940664   -1.2737568
C    -4.6385946    0.8752672    0.6133004
H    -5.6249202    1.1429866    0.9961691
C     2.7326224    3.0416908   -0.5461407
H     3.3552202    3.6739137   -1.1821202
C    -1.5661824   -1.1046917    1.7193810
H    -1.7296912   -0.9902187    2.8043770
H    -1.7019832   -2.1712871    1.4755314
C     2.7275732    3.2271077    0.8401411
H     3.3480330    4.0045150    1.2894285
C     1.9342042    2.4164276    1.6581981
H     1.9355418    2.5706965    2.7405138
C     0.1852719    0.6108374    1.9528424
H     0.5673151    0.4909041    2.9799305
H    -0.7794042    1.1391424    2.0103808
C     0.7769811   -1.8150296    1.9700279
H     0.7355401   -1.7617000    3.0712334
H     0.3813767   -2.7919554    1.6548713
C     2.2132201   -1.6844004    1.4956650
H     2.8122088   -2.4834645    1.9694560
H     2.6569079   -0.7093531    1.7696748
O     2.1961417   -1.8493115    0.0827610
C     3.4976627   -1.7386001   -0.5146805
H     3.9295451   -0.7399501   -0.3305567
H     4.1660068   -2.5168516   -0.1098326
H     3.3633024   -1.8978300   -1.5920487
37
 6_CNC_OMe_BiCF3_ElimTS
Bi   -0.4421235   -0.3774096   -0.7156128
F    -3.4977963   -2.2223810   -1.1496431
F    -4.0508703   -0.8448218    0.3680560
F    -1.8280514   -1.7163178    0.4777924
N     1.7246946    0.9997626   -0.7196850
C    -2.0399086    1.7432239    1.1697198
H    -2.8891617    1.0766768    1.0145290
C    -0.7751784    1.4030047    0.6685389
C     0.9188577   -2.4465170    1.4736092
H    -0.1173436   -2.7300471    1.6679046
C     1.1840079   -1.4302114    0.5440472
C     2.5231858   -1.0657445    0.2897104
C     0.3130223    2.2694628    0.8882715
C    -3.1243565   -1.0651136   -0.5855802
C     3.5699687   -1.7000327    0.9760693
H     4.6060755   -1.4005233    0.7896005
C     1.9674473   -3.0878811    2.1452935
H     1.7487051   -3.8770709    2.8691763
C     3.2926467   -2.7144556    1.8974541
H     4.1118372   -3.2069599    2.4263645
C    -2.2232867    2.9366592    1.8796295
H    -3.2130142    3.1902553    2.2669114
C     2.8269689    0.0095592   -0.7384127
H     3.8105572    0.4750317   -0.5437328
H     2.8395358   -0.4036952   -1.7605868
C    -1.1460613    3.8036582    2.0825830
H    -1.2875166    4.7416482    2.6243019
C     0.1181539    3.4683332    1.5892312
H     0.9644580    4.1415055    1.7578954
C     1.7119085    1.8633491    0.4816879
H     2.3676091    2.7393246    0.3420293
H     2.1549722    1.2490339    1.2830502
O     1.6386169    1.7611601   -1.9340196
C     2.8069230    2.5269545   -2.2584710
H     3.6806860    1.8841380   -2.4602828
H     2.5249378    3.0566882   -3.1778867
H     3.0567825    3.2675626   -1.4795959
37
 6_CNC_OMe_BiCF3
Bi    0.1064782   -0.5090909   -0.9043304
F    -0.3129148   -3.6072234   -0.5768284
F     0.5845148   -2.8659356    1.2717720
F     1.8241018   -3.1399159   -0.5029871
N    -0.4136958    2.0837230   -0.4178967
C    -2.5091135   -1.4466535    0.7559321
H    -2.2370016   -2.4318153    0.3704361
C    -1.6815128   -0.3399723    0.5150316
C     2.6941660   -0.3078654    1.1077298
H     2.6257007   -1.3961831    1.1267969
C     1.7586693    0.4477642    0.3835358
C     1.8759092    1.8547798    0.3786784
C    -2.0496360    0.9198553    1.0224783
C     0.5948351   -2.6978916   -0.0819112
C     2.9025683    2.4737659    1.1082333
H     2.9741531    3.5658450    1.1161238
C     3.7260439    0.3170615    1.8191326
H     4.4427266   -0.2891789    2.3784606
C     3.8309287    1.7103794    1.8209663
H     4.6273886    2.2043315    2.3820452
C    -3.6893996   -1.3077180    1.4973191
H    -4.3230015   -2.1793745    1.6783708
C     0.9122066    2.7188171   -0.4176600
H     0.9022731    3.7494288   -0.0137048
H     1.2157309    2.7723320   -1.4764508
C    -4.0555334   -0.0549525    1.9962061
H    -4.9787098    0.0629461    2.5681555
C    -3.2362675    1.0524749    1.7577431
H    -3.5193624    2.0336030    2.1519418
C    -1.1288161    2.1119660    0.8653807
H    -1.6721291    3.0624826    1.0125303
H    -0.3426888    2.0672071    1.6376065
O    -1.2341939    2.5071756   -1.5103556
C    -1.5563245    3.9039336   -1.5184065
H    -0.6591965    4.5363148   -1.6366447
H    -2.2017063    4.0222764   -2.3989483
H    -2.1161023    4.2140711   -0.6191217
34
 6_CNC_OMe_BiF
Bi   -0.0220421   -0.7860185   -1.0068746
N     0.0800927    1.7637124   -0.3361142
C    -2.5915579   -1.3726233    0.8141141
H    -2.4461709   -2.3778792    0.4097161
C    -1.6534893   -0.3751536    0.5174946
C     2.3596597   -1.4342781    1.0696448
H     1.9760257   -2.4495002    0.9353809
C     1.7331164   -0.3833232    0.3894157
C     2.1936650    0.9367300    0.5535471
C    -1.7946697    0.9079803    1.0713768
C     3.2740387    1.1915848    1.4119387
H     3.6260973    2.2176495    1.5577745
C     3.4469035   -1.1753576    1.9135996
H     3.9345180   -1.9957389    2.4465057
C     3.9029932    0.1369938    2.0827997
H     4.7457634    0.3437387    2.7465474
C    -3.6866601   -1.0894340    1.6393201
H    -4.4165637   -1.8699047    1.8687252
C     1.5231237    2.0671446   -0.2089911
H     1.7122703    3.0389683    0.2844436
H     1.9058409    2.1277368   -1.2412894
C    -3.8457521    0.1969476    2.1659222
H    -4.7049301    0.4286270    2.7997869
C    -2.8995183    1.1891071    1.8892274
H    -3.0159342    2.1869587    2.3241788
C    -0.6923538    1.9358256    0.9121712
H    -1.0805476    2.9652984    0.9955434
H     0.0349517    1.7986173    1.7301410
O    -0.5336769    2.4377401   -1.4449558
C    -0.4596280    3.8686266   -1.4034026
H     0.5798154    4.2322872   -1.4775589
H    -1.0205697    4.1883446   -2.2916534
H    -0.9400502    4.2917929   -0.5041629
F    -0.0234983   -2.8155546   -0.4455676
33
 6_CNC_OMe_Bi+
Bi   -0.0252685   -0.4677472   -1.1655898
N     0.0714532    1.5353897    0.0599108
C    -2.6916699   -1.7063730    0.2506708
H    -2.6370637   -2.5203728   -0.4761554
C    -1.6908921   -0.7285190    0.3186298
C     2.4329740   -1.8496901    0.5634710
H     2.0812401   -2.8216986    0.2098884
C     1.7626511   -0.6703101    0.2169437
C     2.2333010    0.5755331    0.6844340
C    -1.7878292    0.3316944    1.2406278
C     3.3625816    0.6223017    1.5140333
H     3.7250082    1.5815571    1.8925613
C     3.5677013   -1.7907803    1.3817493
H     4.0880520   -2.7112224    1.6532387
C     4.0297181   -0.5582707    1.8543934
H     4.9111905   -0.5147484    2.4962078
C    -3.7813114   -1.6443153    1.1272401
H    -4.5585802   -2.4092881    1.0819704
C     1.5257994    1.8482976    0.2623215
H     1.6389622    2.6441125    1.0148316
H     1.8902764    2.2248813   -0.7066403
C    -3.8814387   -0.5936376    2.0444484
H    -4.7392426   -0.5360100    2.7165887
C    -2.8932812    0.3948334    2.0988625
H    -2.9833461    1.2138513    2.8170219
C    -0.6622122    1.3287023    1.3586804
H    -1.0039748    2.3071041    1.7260717
H     0.1026612    0.9525625    2.0572442
O    -0.5956332    2.4622970   -0.8111949
C    -0.5833301    3.8400520   -0.3756866
H     0.4402452    4.2423619   -0.3275512
H    -1.1433106    4.3496619   -1.1695354
H    -1.1065090    3.9770537    0.5834828
52
 7_CNC_CH2CH2morpholine_BiCF3_ElimTS
N     0.2040896   -1.8544309   -1.1144703
C     3.4843896    0.3981524    0.3076391
H     3.3210408    1.2701338    0.9431747
C     2.4025536   -0.1896072   -0.3617177
C    -0.7806852   -0.2328181    2.7619537
H    -0.7430078    0.8449771    2.9348119
C    -0.3120153   -0.7488083    1.5442191
C    -0.3220057   -2.1410623    1.3354549
C     2.6192608   -1.3154433   -1.1786798
C    -0.8197543   -2.9939074    2.3347073
H    -0.8251468   -4.0767629    2.1737209
C    -1.2704024   -1.0877634    3.7580628
H    -1.6309208   -0.6750104    4.7037871
C    -1.2979215   -2.4694378    3.5397162
H    -1.6851872   -3.1412357    4.3093649
C     4.7740327   -0.1284495    0.1614115
H     5.6131559    0.3345864    0.6866811
C     0.3109255   -2.7281227    0.0905525
H     1.3876470   -2.8576626    0.2871860
H    -0.1004199   -3.7299850   -0.1373520
C     4.9880298   -1.2484723   -0.6489376
H     5.9923102   -1.6642470   -0.7585833
C     3.9117263   -1.8452644   -1.3129227
H     4.0770324   -2.7286765   -1.9376406
C     1.4513964   -1.9333823   -1.9221214
H     1.2583451   -1.3841658   -2.8602573
H     1.6706477   -2.9822929   -2.2028327
C    -0.9692502   -2.1979748   -1.9508455
H    -0.9138618   -1.5791258   -2.8608422
H    -0.8940560   -3.2557181   -2.2763729
C    -2.3189003   -2.0036794   -1.2591336
H    -2.3256715   -2.5493531   -0.3036283
H    -3.0974968   -2.4715101   -1.9014067
C    -3.1200319    0.1068914   -2.1705814
C    -3.6390539   -0.4977466    0.0996716
C    -3.4632094    1.5529836   -1.8236408
H    -4.0226952   -0.3945858   -2.5865332
H    -2.3373849    0.0930194   -2.9471093
C    -3.9616068    0.9661506    0.3742180
H    -4.5761010   -1.0289274   -0.1794164
H    -3.2258205   -0.9678627    1.0058736
H    -3.8912364    2.0646120   -2.6974697
H    -2.5467600    2.0922660   -1.5088067
H    -4.7582342    1.0495353    1.1267889
H    -3.0596023    1.4873571    0.7537517
N    -2.6354315   -0.6014533   -0.9748671
O    -4.4461581    1.6155831   -0.7981568
Bi    0.2503242    0.5879259   -0.2341556
F     0.8016813    2.0317301    1.4819592
C     1.2164534    3.1247011    0.1770290
F     0.3421457    4.1102726    0.4657329
F     2.3919051    3.5688501    0.6681198
52
 7_CNC_CH2CH2morpholine_BiCF3
Bi    0.2818211    0.4948933   -0.5839739
F     1.6925831    3.3109249   -1.0034883
F     1.7206241    2.8793272    1.1352870
F    -0.1382293    3.5199408    0.1812868
N     0.2292303   -2.1919556   -0.1795190
C     3.5583819    0.4991480   -0.2441158
H     3.4394095    1.5724138   -0.0894159
C     2.4340037   -0.3158117   -0.4492863
C    -0.8387083    1.1134205    2.3982316
H    -0.8899761    2.1399356    2.0288364
C    -0.3074778    0.0977454    1.5877730
C    -0.2398698   -1.2169839    2.0853291
C     2.6187436   -1.7004070   -0.6424015
C     0.9726033    2.7174922    0.0028321
C    -0.7107869   -1.4929082    3.3795887
H    -0.6556478   -2.5158692    3.7655876
C    -1.3033496    0.8303749    3.6891661
H    -1.7132421    1.6324580    4.3079258
C    -1.2421273   -0.4772490    4.1797410
H    -1.6055663   -0.7080088    5.1838077
C     4.8471183   -0.0492385   -0.2273902
H     5.7106710    0.6002012   -0.0637426
C     0.4175649   -2.3240755    1.2820209
H     1.5027535   -2.2801277    1.4704701
H     0.0703606   -3.3171149    1.6298759
C     5.0253714   -1.4235320   -0.4080482
H     6.0272192   -1.8584752   -0.3852374
C     3.9122290   -2.2445785   -0.6082863
H     4.0468368   -3.3227780   -0.7405559
C     1.4373207   -2.6110813   -0.9202565
H     1.1796865   -2.5714564   -1.9934746
H     1.7057434   -3.6643593   -0.6970210
C    -0.9562488   -2.9189289   -0.6721728
H    -0.9443886   -2.8528736   -1.7720561
H    -0.8715054   -3.9973252   -0.4177954
C    -2.2951437   -2.4122079   -0.1323092
H    -2.2634333   -2.3827541    0.9671866
H    -3.0716266   -3.1605312   -0.4092432
C    -3.1628537   -1.0938075   -1.9838466
C    -3.6658531   -0.4619885    0.2776596
C    -3.5469761    0.3155011   -2.4249663
H    -4.0511904   -1.7602232   -2.0717978
H    -2.3800198   -1.4838474   -2.6547865
C    -4.0270629    0.9291623   -0.2293899
H    -4.5898630   -1.0816581    0.3213210
H    -3.2439569   -0.3929640    1.2927238
H    -3.9917603    0.2948862   -3.4303099
H    -2.6438810    0.9589499   -2.4469017
H    -4.8264304    1.3678814    0.3844541
H    -3.1388362    1.5916385   -0.1820203
N    -2.6579819   -1.0733616   -0.6036408
O    -4.5284153    0.8776336   -1.5628600
49
 7_CNC_CH2CH2morpholine_BiF
Bi    0.2487009   -0.6272147   -0.7822311
N     0.5213654   -0.1703687    1.8363006
C     3.4384375   -0.3068262   -1.2262868
H     3.1198147   -0.1888339   -2.2660094
C     2.4643379   -0.5016868   -0.2393526
C    -0.6404091    2.3803441   -1.4473447
H    -0.7098972    1.9636003   -2.4558155
C    -0.1513367    1.5731749   -0.4116369
C     0.0121902    2.1064674    0.8777887
C     2.8443903   -0.6424366    1.1069545
C    -0.3602681    3.4380787    1.1251209
H    -0.2340749    3.8619624    2.1266647
C    -1.0059454    3.7090219   -1.1959791
H    -1.3891660    4.3356247   -2.0055101
C    -0.8768986    4.2324229    0.0956169
H    -1.1676296    5.2653439    0.3015448
C     4.7933121   -0.2523442   -0.8751190
H     5.5537890   -0.0969331   -1.6449721
C     0.7133596    1.2995454    1.9542715
H     1.7953872    1.4852015    1.8541668
H     0.4207100    1.6419282    2.9659926
C     5.1733459   -0.3872338    0.4653216
H     6.2286660   -0.3372045    0.7439796
C     4.2023492   -0.5752211    1.4552863
H     4.5035352   -0.6683835    2.5036560
C     1.7796520   -0.8903892    2.1595033
H     1.5283504   -1.9650280    2.1976991
H     2.1493146   -0.6132877    3.1675007
C    -0.5843535   -0.6583062    2.6870106
H    -0.5990795   -1.7574206    2.6080931
H    -0.3764023   -0.4170421    3.7508190
C    -1.9570650   -0.0843151    2.3320932
H    -1.9042190    1.0148814    2.3205075
H    -2.6603345   -0.3617880    3.1487030
C    -3.0120091   -1.8811066    1.0735120
C    -3.4873285    0.4104020    0.5244136
C    -3.5375391   -2.2807928   -0.3020898
H    -3.8381672   -1.9496542    1.8171631
H    -2.2212456   -2.5853302    1.3805971
C    -3.9957351   -0.0589974   -0.8332755
H    -4.3455737    0.4776401    1.2300455
H    -3.0334872    1.4094700    0.4290940
H    -4.0117246   -3.2718225   -0.2593515
H    -2.6969994   -2.3168068   -1.0248010
H    -4.8102182    0.5896393   -1.1853582
H    -3.1715322   -0.0280416   -1.5741955
N    -2.4610577   -0.5187050    1.0266671
O    -4.5363681   -1.3758121   -0.7554566
F     0.6913200   -0.1530766   -2.7952232
48
7_CNC_CH2CH2morpholine_Bi+
Bi    0.1133739   -0.5173693   -0.7214769
N     0.6185305   -0.2053219    1.6169406
C     3.3157851   -0.4396853   -1.5790114
H     2.9761312   -0.2405246   -2.5993123
C     2.3989784   -0.5667328   -0.5261568
C    -0.6787075    2.5795177   -1.4207692
H    -0.9708984    2.2222721   -2.4116301
C    -0.1154682    1.7079972   -0.4784910
C     0.2498528    2.1770846    0.7967542
C     2.8663571   -0.8266305    0.7740197
C     0.0392254    3.5269732    1.1174650
H     0.3173276    3.9043825    2.1051322
C    -0.8684233    3.9285659   -1.0966825
H    -1.2996714    4.6098002   -1.8327583
C    -0.5147527    4.3968883    0.1730111
H    -0.6723729    5.4453899    0.4319256
C     4.6891852   -0.5571630   -1.3320128
H     5.4005673   -0.4509660   -2.1535850
C     0.9572582    1.2627483    1.7697263
H     2.0419961    1.3405802    1.5957350
H     0.7617475    1.5512400    2.8157424
C     5.1499879   -0.8043743   -0.0342459
H     6.2207906   -0.8913114    0.1582062
C     4.2423562   -0.9359411    1.0210860
H     4.6070031   -1.1261714    2.0342694
C     1.8534432   -1.0226853    1.8804247
H     1.5317120   -2.0753584    1.9441662
H     2.2624899   -0.7431956    2.8664425
C    -0.4806208   -0.6210430    2.5380977
H    -0.5033892   -1.7209654    2.5393546
H    -0.2209920   -0.2963420    3.5603177
C    -1.8431221   -0.0537033    2.1516136
H    -1.7932986    1.0436422    2.0881218
H    -2.5613764   -0.3034193    2.9573488
C    -2.8512575   -1.9401525    0.9679671
C    -3.3514578    0.3269311    0.2914543
C    -3.4033127   -2.4146497   -0.3735516
H    -3.6627188   -1.9538637    1.7232825
H    -2.0577185   -2.6254261    1.3071291
C    -3.8829855   -0.2316079   -1.0236923
H    -4.1886883    0.4178769    1.0121240
H    -2.9121172    1.3247834    0.1377920
H    -3.8719084   -3.4012727   -0.2583071
H    -2.5841935   -2.5005845   -1.1178667
H    -4.7057420    0.3942607   -1.3946222
H    -3.0800464   -0.2419459   -1.7913519
N    -2.3032737   -0.5645874    0.8513681
O    -4.4106741   -1.5382359   -0.8519093
34
 A_CCC_BiCF3_ElimTS
Bi   -0.2308455   -0.5581059   -0.7175363
F    -2.2476971   -3.4103922   -0.3338305
F    -3.0177740   -2.1198322    1.1612822
F    -0.6273962   -2.0882370    0.8549374
C    -2.6172754    1.1649922    0.5569394
H    -3.1250903    0.2027406    0.4881861
C    -1.2572588    1.2710906    0.2225886
C     2.1276965   -1.3138863    1.3535008
H     1.3326992   -1.9620644    1.7241281
C     1.8527800   -0.4132634    0.3086958
C     2.8865384    0.4263418   -0.1710207
C    -0.6079311    2.5252148    0.3254476
C    -2.2646052   -2.1383351    0.0609740
C     4.1576074    0.3398709    0.4253236
H     4.9537974    1.0010779    0.0692133
C     3.4019294   -1.3904685    1.9270350
H     3.5896356   -2.0947548    2.7412378
C     4.4228606   -0.5610528    1.4588221
H     5.4213388   -0.6061148    1.9000484
C    -3.3400635    2.2814414    0.9944476
H    -4.3961375    2.1764018    1.2536181
C    -2.7063017    3.5210537    1.0902332
H    -3.2605733    4.4016679    1.4231018
C    -1.3535292    3.6342498    0.7569090
H    -0.8559378    4.6052330    0.8369020
C     0.8696253    2.6899384    0.0368828
H     1.1402711    3.7541205    0.1193083
H     1.4258228    2.1624193    0.8311162
C     1.3374289    2.1420402   -1.3296570
H     0.5648541    1.4613527   -1.7548630
H     1.3669610    2.9502382   -2.0794602
C     2.7023374    1.4360089   -1.2947423
H     3.4937612    2.1982955   -1.2012896
H     2.8735431    0.9469049   -2.2715126
34
 A_CCC_BiCF3
Bi   -0.1034356   -0.5535752   -0.8955984
F    -1.6801063   -2.9885965    0.1683736
F    -0.5415794   -2.1601859    1.8370286
F     0.4658278   -3.3693532    0.3268067
C    -2.9362166    0.0729692    0.3921467
H    -3.0691452   -0.9829948    0.1440005
C    -1.6976097    0.7007977    0.1860217
C     2.4086782   -0.7770033    1.0769484
H     1.9283941   -1.7286431    1.3051742
C     1.8101385    0.1294899    0.1836773
C     2.4573527    1.3551254   -0.1031413
C    -1.5348519    2.0628179    0.5229923
C    -0.4881874   -2.4058272    0.5067030
C     3.6779087    1.6291983    0.5415240
H     4.1737568    2.5833436    0.3388078
C     3.6296233   -0.4870641    1.6952915
H     4.0706714   -1.2071353    2.3883933
C     4.2677667    0.7242502    1.4259856
H     5.2179311    0.9703946    1.9054818
C    -4.0184794    0.7791049    0.9314230
H    -4.9744130    0.2736575    1.0874187
C    -3.8658480    2.1268526    1.2615547
H    -4.7032130    2.6919164    1.6774895
C    -2.6338175    2.7551963    1.0581560
H    -2.5137744    3.8095943    1.3243492
C    -0.2036510    2.7704455    0.3684728
H    -0.3180105    3.8276673    0.6542242
H     0.4991475    2.3272687    1.0954250
C     0.4129020    2.6674471   -1.0455550
H    -0.1117642    1.8822520   -1.6232842
H     0.2051199    3.5856925   -1.6195490
C     1.9309436    2.4097907   -1.0674029
H     2.4573667    3.3520520   -0.8425663
H     2.2258971    2.1433486   -2.0993644
31
 A_CCC_BiF
Bi   -0.0935685   -1.1166897   -0.5650643
C    -2.8137214   -0.4055148    0.8367919
H    -2.7751980   -1.4892660    0.9802919
C    -1.7292213    0.2569736    0.2412937
C     2.2548598   -0.5478520    1.4286263
H     1.7851925   -1.4347992    1.8634872
C     1.6908158    0.0263698    0.2790888
C     2.2590173    1.1819442   -0.2977871
C    -1.7446627    1.6623537    0.1055963
C     3.3954418    1.7361789    0.3186137
H     3.8396155    2.6420968   -0.1053822
C     3.3913701    0.0149790    2.0193959
H     3.8219007   -0.4360463    2.9167638
C     3.9634038    1.1599524    1.4584541
H     4.8480449    1.6134326    1.9117900
C    -3.9361994    0.3071649    1.2738748
H    -4.7744911   -0.2199383    1.7356861
C    -3.9745586    1.6939621    1.1100843
H    -4.8490827    2.2631409    1.4340480
C    -2.8855498    2.3594084    0.5388072
H    -2.9117320    3.4486239    0.4372440
C    -0.5369276    2.4441440   -0.3800611
H    -0.8284899    3.4949251   -0.5342033
H     0.1968487    2.4468657    0.4461989
C     0.1678647    1.9102229   -1.6481999
H    -0.2364390    0.9121353   -1.9221393
H    -0.1033492    2.5233056   -2.5237237
C     1.7038446    1.8564960   -1.5440099
H     2.0957684    2.8869363   -1.5769220
H     2.1019782    1.3566859   -2.4465062
F    -0.1865607   -2.3626164    1.0933653
30
 A_CCC_Bi+
Bi   -0.0630225   -1.1666122   -0.2525694
C    -3.0256203   -0.7621447    0.2501608
H    -2.9639842   -1.8460516    0.1070992
C    -1.8650992    0.0467181    0.1526448
C     2.7092014   -0.9113355    0.6132845
H     2.4293671   -1.9665249    0.7286908
C     1.8190918    0.0060254   -0.0099270
C     2.2333344    1.3493721   -0.2392616
C    -1.9466779    1.4547892    0.3389282
C     3.4888298    1.7258371    0.2616008
H     3.8261038    2.7534886    0.1041274
C     3.9459667   -0.5033300    1.1074883
H     4.6050121   -1.2170401    1.6035645
C     4.3289711    0.8300901    0.9329593
H     5.3000913    1.1723008    1.2958466
C    -4.2621683   -0.1866821    0.5345324
H    -5.1555502   -0.8083455    0.6089827
C    -4.3422120    1.1995256    0.7202284
H    -5.3069025    1.6617156    0.9392899
C    -3.1982144    2.0067231    0.6234713
H    -3.2862499    3.0853560    0.7722129
C    -0.7094013    2.3028741    0.2243062
H    -0.9480918    3.3522493    0.4515102
H     0.0090026    1.9700587    0.9965392
C    -0.0270920    2.2035286   -1.1598612
H    -0.2701437    1.2293068   -1.6296448
H    -0.4430128    2.9552843   -1.8483061
C     1.4843979    2.3688931   -1.0784608
H     1.7312505    3.3742943   -0.6991055
H     1.9041321    2.3274143   -2.1001093
33
 B_pTol2_BiCF3_ElimTS
Bi   -0.0929583   -0.9779653   -0.7462327
F    -1.7140027   -3.6338309    1.0551630
F    -2.3406656   -1.8196124    1.9398142
F     0.0203465   -1.9000593    1.2446174
C    -2.7529974    0.7596121   -0.3865198
H    -3.2288803   -0.1853119   -0.6641780
C    -1.3562928    0.8344085   -0.2358419
C     2.3725774   -0.0108575    1.1712384
H     1.7986220   -0.5152178    1.9510605
C     1.8791847    0.0175756   -0.1448516
C     2.6426541    0.6577435   -1.1333756
C    -0.7822354    2.0590720    0.1364182
C    -1.7828322   -2.3240860    0.8502269
C     3.8643424    1.2656506   -0.8144287
H     4.4419910    1.7627632   -1.5994981
C     3.5935882    0.5939891    1.4818883
H     3.9611898    0.5609686    2.5122935
C     4.3594649    1.2431381    0.4972198
C    -3.5517181    1.8836839   -0.1685507
H    -4.6364910    1.8047608   -0.2875724
C    -2.9837452    3.1144220    0.2067144
C    -1.5905396    3.1816621    0.3541254
H    -1.1270062    4.1283807    0.6467437
H     0.3000606    2.1434450    0.2629050
H     2.2981336    0.6970306   -2.1734082
C    -3.8571881    4.3198804    0.4579327
H    -4.4753516    4.1771567    1.3607997
H    -3.2545706    5.2285957    0.6027407
H    -4.5473497    4.4950699   -0.3834801
C     5.6802208    1.8865571    0.8473848
H     5.5619115    2.6229619    1.6595268
H     6.4080245    1.1341336    1.1955832
H     6.1172507    2.4032014   -0.0200337
33
 B_pTol2_BiCF3
Bi    0.0052051   -1.0253275   -0.8138392
F    -1.3306100   -2.7529641    1.3781373
F    -0.1786269   -1.1743954    2.3503435
F     0.8442124   -2.9130669    1.5207003
C    -2.8620234    0.0233047    0.2223886
H    -3.0104550   -1.0285284    0.4792253
C    -1.6374088    0.4643310   -0.3077837
C     1.6901002    1.1365049    0.9394591
H     0.8216826    1.1176450    1.6008212
C     1.7185206    0.3365479   -0.2163249
C     2.8531843    0.3804714   -1.0400424
C    -1.4851704    1.8247617   -0.6119159
C    -0.1676150   -2.0329321    1.2992838
C     3.9364001    1.2084265   -0.7179215
H     4.8116035    1.2305503   -1.3737470
C     2.7758785    1.9566068    1.2548950
H     2.7376281    2.5695929    2.1604938
C     3.9162278    2.0081975    0.4331284
C    -3.9012528    0.9291957    0.4512367
H    -4.8433368    0.5667481    0.8735751
C    -3.7569851    2.2945955    0.1510453
C    -2.5340280    2.7247233   -0.3833632
H    -2.3951539    3.7828619   -0.6241728
H     2.9093098   -0.2318218   -1.9456010
H    -0.5428816    2.2014175   -1.0194647
C    -4.8852734    3.2645637    0.4090384
H    -5.8155964    2.9338686   -0.0815189
H    -5.0986320    3.3461302    1.4884297
H    -4.6418196    4.2705059    0.0363064
C     5.0824864    2.8982218    0.7903632
H     5.5236779    2.6033132    1.7573101
H     5.8734337    2.8485531    0.0275710
H     4.7654919    3.9500636    0.8858717
30
 B_pTol2_BiF
Bi    0.0000572   -1.4418800   -0.1902788
C    -2.1658569    0.4916437    1.1178400
H    -1.7083224    0.0922868    2.0267182
C    -1.6882635    0.0772718   -0.1345593
C     2.1656761    0.4919805    1.1172234
H     1.7083800    0.0926533    2.0262330
C     1.6875432    0.0781918   -0.1352706
C     2.2854486    0.5815157   -1.2976799
C    -2.2878627    0.5785669   -1.2970889
C     3.3400291    1.4993577   -1.2071682
H     3.7951481    1.8895518   -2.1223695
C     3.2207540    1.4046511    1.1972758
H     3.5838336    1.7204699    2.1802391
C     3.8239388    1.9249779    0.0386485
C    -3.2216628    1.4035950    1.1978152
H    -3.5853079    1.7188161    2.1807567
C    -3.8254960    1.9230015    0.0392290
C    -3.3430464    1.4955914   -1.2066496
H    -3.8005209    1.8830743   -2.1218342
H     1.9406721    0.2735285   -2.2905506
H    -1.9449331    0.2683737   -2.2899111
C    -4.9585595    2.9165527    0.1402656
H    -5.7751417    2.5279119    0.7709118
H    -4.6173953    3.8613469    0.5966631
H    -5.3752139    3.1519289   -0.8503595
C     4.9635716    2.9109510    0.1401212
H     5.8254604    2.4696754    0.6684640
H     5.3049245    3.2331112   -0.8548482
H     4.6627536    3.8095827    0.7041931
F     0.0004042   -1.5537073    1.8787576
29
 B_pTol2_Bi+
Bi    0.0000694   -1.3281254    0.0001192
C     1.6913273    1.3978051    0.4498948
H     0.7634395    1.8526258    0.8004636
C     1.7148846    0.0502956    0.0105715
C    -1.6916773    1.3970198   -0.4511428
H    -0.7639076    1.8515327   -0.8023948
C    -1.7151071    0.0499124   -0.0104869
C    -2.9531382   -0.5191002    0.3813785
C     2.9529419   -0.5187781   -0.3813173
C    -4.1159263    0.2460234    0.3724062
H    -5.0596581   -0.2019178    0.6907604
C    -2.8636321    2.1420286   -0.4749716
H    -2.8360957    3.1746262   -0.8313413
C    -4.0949301    1.5879738   -0.0550358
C     2.8631343    2.1431224    0.4725432
H     2.8353448    3.1763819    0.8269661
C     4.0944685    1.5888062    0.0531927
C     4.1155285    0.2465669   -0.3734848
H     5.0590795   -0.2012084   -0.6926355
H    -3.0113064   -1.5628333    0.7046097
H     3.0110426   -1.5625927   -0.7043282
C     5.3486327    2.4147425    0.0878048
H     5.2099807    3.3556297   -0.4692546
H     5.5961216    2.6919425    1.1266027
H     6.2043902    1.8754861   -0.3393291
C    -5.3480193    2.4157326   -0.0852021
H    -5.5600616    2.7570849   -1.1121826
H    -6.2171919    1.8542004    0.2818133
H    -5.2278603    3.3205457    0.5334579
3
 CF2_carbene
C    -0.0000000   -0.0000000    0.6091744
F    -0.0000000    1.0395575   -0.2030581
F     0.0000000   -1.0395575   -0.2030581
81
 C_supermesityl_BiCF3_ElimTS
Bi    0.0442891   -1.3090509   -0.8585335
C    -3.0249348   -0.5925710    0.3216338
C    -1.8904613   -0.0763815   -0.3459970
C     1.5241917    0.6668217    1.3526613
C     1.6290935    0.0920015    0.0641302
C     2.7720508    0.3420139   -0.7364066
C    -1.9269191    1.2439705   -0.8601109
C     3.7888525    1.1693935   -0.2377557
H     4.6704921    1.3545768   -0.8578010
C     2.5725614    1.4909150    1.8007161
H     2.5013904    1.9371173    2.7974735
C     3.7075410    1.7586790    1.0304238
C    -4.1141619    0.2636466    0.5648909
H    -4.9862491   -0.1254127    1.1005412
C    -4.1362703    1.5949775    0.1373549
C    -3.0394184    2.0589613   -0.6005271
H    -3.0530195    3.0795975   -0.9950050
C    -5.3301802    2.4901297    0.4405005
H    -6.0447369    1.8831082    1.0236280
C     4.8138982    2.6592447    1.5625467
H     4.5063788    2.9798477    2.5731923
C    -3.1574711   -2.0546201    0.7442935
H    -2.2445245   -2.5822172    0.4348301
C    -0.8342490    1.7919904   -1.7795035
H    -0.0111933    1.0492575   -1.8216459
C     0.3600070    0.4142886    2.3064692
H    -0.3916096   -0.1778335    1.7684673
C     2.9762350   -0.2920630   -2.1131571
H     2.0184020   -0.7532485   -2.4255910
C    -0.1985084    3.0953570   -1.2707835
H    -0.9498674    3.8989244   -1.1969231
H     0.2556785    2.9536106   -0.2791338
H     0.5884583    3.4361408   -1.9636238
C    -1.3605915    1.9518755   -3.2188433
H    -1.7826120    1.0071918   -3.5975275
H    -2.1566401    2.7134804   -3.2613714
H    -0.5511842    2.2702662   -3.8971687
C    -3.2624625   -2.2141814    2.2708859
H    -3.3369936   -3.2807048    2.5404309
H    -2.3746772   -1.7997584    2.7710789
H    -4.1561409   -1.7025163    2.6670033
C    -4.3448053   -2.7315596    0.0338788
H    -5.3072722   -2.2849499    0.3347198
H    -4.2599627   -2.6395160   -1.0610462
H    -4.3800222   -3.8040879    0.2880227
C    -6.0466142    2.9449057   -0.8438105
H    -6.3651308    2.0809106   -1.4483057
H    -6.9397890    3.5434465   -0.5985216
H    -5.3863888    3.5697201   -1.4688258
C    -4.9282191    3.6972968    1.3067949
H    -4.4470154    3.3717856    2.2425891
H    -4.2186358    4.3514531    0.7725049
H    -5.8135416    4.3021413    1.5647766
C     3.3341367    0.7314335   -3.2040892
H     4.3161796    1.1949658   -3.0156288
H     3.3855394    0.2383121   -4.1886135
H     2.5859170    1.5382000   -3.2588544
C     4.0146472   -1.4273052   -2.0441009
H     3.7250058   -2.1797539   -1.2944908
H     4.1140666   -1.9269668   -3.0221606
H     5.0039567   -1.0302793   -1.7614930
C     4.9793169    3.9249864    0.7022342
H     5.2972492    3.6708772   -0.3230752
H     4.0333808    4.4852076    0.6332243
H     5.7444506    4.5905107    1.1353526
C     6.1479617    1.9037437    1.6991211
H     6.9189650    2.5569745    2.1404190
H     6.0378696    1.0159321    2.3414695
H     6.5175590    1.5661134    0.7161713
C    -0.3241777    1.7161246    2.7580972
H    -1.1812799    1.4815520    3.4105426
H     0.3620386    2.3633622    3.3301719
H    -0.7026109    2.2896234    1.8980784
C     0.8189782   -0.4161113    3.5198633
H    -0.0410333   -0.6384811    4.1735710
H     1.2622717   -1.3689477    3.1991541
H     1.5654661    0.1320520    4.1198882
F    -0.2119948   -2.4233490    1.1257013
C     1.1613517   -3.2789094    0.4681217
F     1.9868074   -3.2219974    1.5162232
F     0.6593152   -4.5185080    0.4736968
81
 C_supermesityl_BiCF3
Bi    0.0072000   -1.3360452   -0.8565762
F    -0.5316443   -4.1101419    0.4036728
F    -0.4519749   -2.7367070    2.0908689
F     1.3876892   -3.3009040    1.0656884
C    -2.9799714   -0.4038313    0.2378816
C    -1.7962615    0.0479194   -0.3863042
C     1.6100945    0.5549216    1.3624960
C     1.6962193   -0.0542843    0.0914142
C     2.8490060    0.1454997   -0.7143148
C    -1.7180662    1.3770265   -0.8734487
C     0.0792136   -2.9724537    0.8605852
C     3.8765447    0.9738112   -0.2421562
H     4.7616904    1.1251344   -0.8641359
C     2.6687352    1.3815256    1.7855337
H     2.6053139    1.8584383    2.7687278
C     3.8022333    1.6118697    1.0042657
C    -4.0206675    0.5157239    0.4592837
H    -4.9332730    0.1737149    0.9576057
C    -3.9406459    1.8509441    0.0540976
C    -2.7875886    2.2535453   -0.6321571
H    -2.7183672    3.2801459   -1.0034768
C    -5.0835414    2.8184635    0.3299570
H    -5.8618284    2.2488470    0.8674570
C     4.9185911    2.5209836    1.4998209
H     4.6169726    2.8821482    2.4986286
C    -3.2181905   -1.8603650    0.6200256
H    -2.2903056   -2.4175951    0.4242138
C    -0.5618354    1.8806184   -1.7375863
H     0.2367496    1.1179164   -1.7227141
C     0.4581154    0.3281270    2.3360831
H    -0.2782775   -0.3177356    1.8359818
C     3.0340901   -0.5767463   -2.0505679
H     2.0325644   -0.7052524   -2.5029195
C     0.0791341    3.1758932   -1.2135525
H    -0.6415677    4.0105005   -1.2112307
H     0.4604122    3.0439231   -0.1901692
H     0.9244027    3.4682248   -1.8578572
C    -1.0151697    2.0382532   -3.2021325
H    -1.4342264    1.0976869   -3.5944482
H    -1.7937049    2.8141755   -3.2915769
H    -0.1663652    2.3340688   -3.8412876
C    -3.5585591   -2.0429334    2.1085778
H    -3.6343228   -3.1147905    2.3530805
H    -2.7851888   -1.6003184    2.7531818
H    -4.5249130   -1.5730780    2.3572176
C    -4.3066711   -2.4869442   -0.2731916
H    -5.2806974   -1.9932082   -0.1188685
H    -4.0482749   -2.3952221   -1.3403084
H    -4.4273824   -3.5572203   -0.0373452
C    -5.7113959    3.3504185   -0.9708384
H    -6.0614805    2.5245425   -1.6101199
H    -6.5716777    4.0029214   -0.7469391
H    -4.9844179    3.9427648   -1.5516786
C    -4.6377015    3.9747903    1.2430246
H    -4.2200744    3.5954844    2.1890329
H    -3.8633199    4.5905599    0.7552448
H    -5.4902526    4.6328315    1.4800880
C     3.8734232    0.1926028   -3.0813931
H     4.9333067    0.2552207   -2.7845819
H     3.8398038   -0.3266605   -4.0526894
H     3.4973767    1.2179426   -3.2254512
C     3.6162026   -1.9844803   -1.8137683
H     2.9993753   -2.5634394   -1.1076360
H     3.6850876   -2.5466418   -2.7601387
H     4.6278613   -1.9101083   -1.3809692
C     5.0932235    3.7520479    0.5922541
H     5.4050996    3.4564413   -0.4237207
H     4.1522143    4.3180597    0.5050174
H     5.8659736    4.4263086    0.9976253
C     6.2464684    1.7595681    1.6614399
H     7.0247678    2.4219641    2.0755838
H     6.1304779    0.8977006    2.3373209
H     6.6100026    1.3814958    0.6910509
C    -0.2650834    1.6307463    2.7189585
H    -1.0967807    1.4116973    3.4088820
H     0.4138102    2.3359447    3.2276848
H    -0.6836834    2.1310985    1.8328894
C     0.9520862   -0.4128867    3.5936167
H     0.1026001   -0.6546700    4.2533750
H     1.4589827   -1.3522710    3.3289528
H     1.6591159    0.2095859    4.1677488
78
 C_supermesityl_BiF
Bi    0.0142482   -1.5656751   -0.7108639
C    -2.9133634   -0.6256866    0.5275341
C    -1.8064221   -0.2024236   -0.2438779
C     1.7284759    0.2084221    1.4591752
C     1.7095518   -0.2403620    0.1193779
C     2.8079443    0.0249976   -0.7357094
C    -1.8334977    1.0590706   -0.8843569
C     3.9078165    0.7372634   -0.2357834
H     4.7555074    0.9371377   -0.8970206
C     2.8535496    0.9216687    1.9104969
H     2.8776579    1.2719717    2.9471437
C     3.9502552    1.1959283    1.0880930
C    -3.9999877    0.2529246    0.6817198
H    -4.8580250   -0.0661347    1.2814107
C    -4.0325615    1.5213803    0.0934521
C    -2.9392087    1.9024457   -0.6946835
H    -2.9469329    2.8812538   -1.1837905
C    -5.2264461    2.4439518    0.2995459
H    -5.9414377    1.9021257    0.9431449
C     5.1486921    1.9677972    1.6236226
H     4.9288931    2.2071686    2.6787215
C    -3.0026422   -2.0150701    1.1551985
H    -2.0086254   -2.4809354    1.0962019
C    -0.7177715    1.5357127   -1.8123813
H     0.0703817    0.7571155   -1.8313608
C     0.6003711   -0.0667618    2.4484041
H    -0.2282294   -0.5261379    1.8913043
C     2.8598951   -0.4802239   -2.1791640
H     1.8309058   -0.7599816   -2.4781548
C    -0.0382279    2.8174117   -1.3020229
H    -0.7585884    3.6507144   -1.2511202
H     0.3854077    2.6648439   -0.2981076
H     0.7779800    3.1198240   -1.9786680
C    -1.2172070    1.7007411   -3.2595832
H    -1.6746814    0.7705816   -3.6329957
H    -1.9765406    2.4971909   -3.3266436
H    -0.3844436    1.9728971   -3.9293781
C    -3.3751667   -1.9728401    2.6474923
H    -3.3434155   -2.9894127    3.0724559
H    -2.6710043   -1.3445149    3.2153449
H    -4.3920919   -1.5772247    2.8100661
C    -3.9912691   -2.8975490    0.3687027
H    -5.0143162   -2.4857194    0.4090102
H    -3.7034050   -2.9723377   -0.6928449
H    -4.0177196   -3.9168812    0.7888660
C    -5.9413360    2.7604417   -1.0263007
H    -6.2597247    1.8375377   -1.5363847
H    -6.8344098    3.3818401   -0.8463777
H    -5.2803239    3.3153837   -1.7132962
C    -4.8250455    3.7358139    1.0340719
H    -4.3451961    3.5108594    1.9996300
H    -4.1148357    4.3299915    0.4345632
H    -5.7105953    4.3644992    1.2256860
C     3.3220349    0.5860941   -3.1863030
H     4.3763522    0.8647845   -3.0265706
H     3.2373567    0.1996282   -4.2151262
H     2.7150383    1.5016718   -3.1082911
C     3.7235014   -1.7510247   -2.2834171
H     3.3504976   -2.5428907   -1.6141070
H     3.7273149   -2.1412003   -3.3149585
H     4.7652198   -1.5339578   -1.9943016
C     5.3501368    3.2984192    0.8764766
H     5.5848624    3.1263277   -0.1875625
H     4.4439468    3.9227419    0.9254059
H     6.1861261    3.8673359    1.3163965
C     6.4317674    1.1178326    1.5966478
H     7.2740794    1.6735147    2.0413841
H     6.2994572    0.1810489    2.1605603
H     6.7130781    0.8533816    0.5632833
C     0.0602498    1.2229354    3.0894027
H    -0.7967173    0.9894702    3.7426445
H     0.8222690    1.7243237    3.7097117
H    -0.2814443    1.9367996    2.3232277
C     1.0423383   -1.0862660    3.5141252
H     0.2163283   -1.2831862    4.2181230
H     1.3177779   -2.0373015    3.0369103
H     1.9022108   -0.7120526    4.0958867
F    -0.0019014   -2.7701478    0.9991050
77
 C_supermesityl_Bi+
Bi    0.0475264   -1.5989292    0.2254907
C    -2.7710213   -0.1782406    1.1527110
C    -1.8783199   -0.4148529    0.0880684
C     1.6371031    1.2191557    0.8811635
C     1.6848421   -0.0405987    0.2227242
C     2.8786172   -0.4675873   -0.4333043
C    -2.1455017    0.0617397   -1.2122076
C     3.9936784    0.3752318   -0.4145063
H     4.9045675    0.0550525   -0.9260951
C     2.7878443    2.0185448    0.8597631
H     2.7661086    2.9880904    1.3647396
C     3.9742549    1.6240472    0.2267115
C    -3.8997597    0.6166871    0.8833350
H    -4.5921415    0.8439701    1.6991806
C    -4.1775974    1.1359561   -0.3871600
C    -3.2922691    0.8321400   -1.4338534
H    -3.5023231    1.2046779   -2.4397390
C    -5.4129831    1.9936629   -0.6204832
H    -5.9276713    2.0835211    0.3513041
C     5.1948039    2.5285830    0.2329034
H     4.9241971    3.4285335    0.8105755
C    -2.5982400   -0.7043016    2.5799450
H    -2.5513292    0.1767198    3.2452604
C    -1.2176450   -0.2747144   -2.3758452
H    -0.3886716   -0.9330812   -1.9618386
C     0.4212695    1.7302032    1.6422924
H    -0.3932999    1.0055213    1.4897367
C     2.9946870   -1.7857934   -1.1990948
H     2.0192599   -2.3176485   -1.1384231
C    -0.5175856    0.9567145   -2.9646245
H    -1.2668742    1.6488181   -3.3824486
H     0.0564045    1.4975605   -2.1974635
H     0.1640098    0.6677700   -3.7799488
C    -1.9091001   -1.1260209   -3.4524238
H    -2.3680898   -2.0282123   -3.0206253
H    -2.7070655   -0.5409417   -3.9375918
H    -1.1927680   -1.4277726   -4.2322502
C    -3.8083690   -1.5588908    3.0141864
H    -3.6937782   -1.8854749    4.0596816
H    -4.7470668   -0.9922904    2.9398152
H    -3.9006778   -2.4534474    2.3769716
C    -1.3237657   -1.5199378    2.8159724
H    -1.3677508   -2.4972009    2.2977850
H    -0.4018003   -0.9467729    2.5478013
H    -1.1776756   -1.7571583    3.8818380
C    -6.3879050    1.3240172   -1.6063812
H    -6.6820191    0.3208920   -1.2602389
H    -7.2996443    1.9328466   -1.7117102
H    -5.9376899    1.2213724   -2.6079884
C    -5.0357932    3.4123965   -1.0844466
H    -4.3624723    3.9039337   -0.3646583
H    -4.5317476    3.3928201   -2.0652884
H    -5.9405322    4.0320264   -1.1872453
C     3.2496386   -1.5530179   -2.7003669
H     4.2258259   -1.0683797   -2.8608335
H     3.2574591   -2.5124856   -3.2409555
H     2.4768965   -0.9057693   -3.1442624
C     4.0455824   -2.7246153   -0.5829925
H     5.0524506   -2.2814214   -0.6438158
H     3.8313429   -2.9268158    0.4781520
H     4.0686650   -3.6837904   -1.1236353
C     5.5663675    2.9798129   -1.1927104
H     5.8669416    2.1231507   -1.8186384
H     4.7216946    3.4850495   -1.6865012
H     6.4141469    3.6818455   -1.1571479
C     6.3905035    1.8590242    0.9360095
H     7.2408024    2.5574542    0.9806655
H     6.1354192    1.5610629    1.9648635
H     6.7249174    0.9600796    0.3919457
C    -0.0807692    3.0798270    1.0985744
H    -0.9953770    3.3839580    1.6317919
H     0.6674578    3.8765948    1.2383294
H    -0.3158744    3.0154673    0.0252106
C     0.7094664    1.8159033    3.1542673
H    -0.1970391    2.1225347    3.7008017
H     1.0508470    0.8495232    3.5604358
H     1.4950729    2.5584895    3.3673721
