378
Impuretés_bleu.log
C         17.18221        7.86285       -0.99656
C         18.19601        7.84831       -0.03750
C         19.34546        8.61901       -0.17753
C         19.47776        9.45103       -1.31180
C         18.43964        9.50027       -2.24553
C         17.29057        8.70410       -2.12142
C         20.67493       10.30929       -1.59065
C         21.88465        9.68058       -2.00019
C         21.87812        8.35984       -2.53972
C         23.02133        7.74846       -2.99458
H         22.96278        6.75859       -3.43161
C         24.28018        8.40757       -2.89079
C         24.31456        9.70359       -2.29423
C         23.16136       10.31435       -1.87538
H         18.08012        7.24382        0.85480
H         18.51197       10.15531       -3.10777
H         25.27370       10.19424       -2.15405
H         23.22943       11.27555       -1.37903
O         16.35409        8.80692       -3.08581
H         15.56096        8.29009       -2.78997
S         15.79320        6.74246       -0.79460
O         15.46979        6.70550        0.66406
O         14.70232        7.32546       -1.64177
O         16.24563        5.39334       -1.26220
Na        15.99095        4.35802        0.87096
N         25.42221        7.83595       -3.31870
C         25.54073        6.50697       -3.91761
H         25.17654        5.75341       -3.20746
H         24.90080        6.45271       -4.80750
C         26.99023        6.21909       -4.29430
H         27.63999        6.24605       -3.41274
H         27.06468        5.22335       -4.74040
H         27.36069        6.94759       -5.02367
S         20.57979        8.53314        1.15116
O         21.64507        7.61111        0.66652
O         19.82991        7.99596        2.32263
O         21.03834        9.93982        1.33498
C         20.48864       11.72273       -1.53681
C         19.47874       12.29622       -0.70945
C         21.24924       12.63838       -2.32234
C         19.27997       13.65192       -0.62679
H         18.88514       11.64392       -0.07908
C         21.04196       13.99535       -2.27161
H         21.97027       12.25604       -3.03588
C         20.05071       14.56709       -1.41294
H         18.53114       14.01897        0.06214
H         21.62923       14.62700       -2.92462
H         26.27793        8.36528       -3.20598
N         19.83352       15.90744       -1.36895
C         18.77430       16.48810       -0.52517
H         18.48273       17.43370       -0.98874
H         17.89397       15.84187       -0.57180
C         19.19093       16.72967        0.93000
H         18.34335       17.14061        1.48926
H         19.50442       15.80123        1.41776
H         20.01716       17.44447        0.99178
C         20.68731       16.84739       -2.11765
H         20.80976       16.47854       -3.14077
H         20.13119       17.78392       -2.19603
C         22.05317       17.10961       -1.47292
H         21.94223       17.55703       -0.48060
H         22.63497       16.18852       -1.36963
H         22.62360       17.80413       -2.09922
H         20.93313        7.83773       -2.63954
C        -19.42863        8.11196        0.54501
C        -18.47748        8.32179       -0.47180
C        -17.38472        9.17556       -0.34899
C        -17.23439        9.88052        0.87001
C        -18.13338        9.70120        1.90562
C        -19.22942        8.81840        1.75545
C        -16.08796       10.82145        1.11719
C        -16.31980       12.23055        0.79082
C        -17.59589       12.73716        0.50992
C        -17.78331       14.07482        0.20896
H        -18.80076       14.42853       -0.01706
C        -16.68313       14.97827        0.17034
C        -15.39642       14.45360        0.46962
C        -15.22748       13.11132        0.76731
H        -18.60688        7.76172       -1.42787
H        -18.01358       10.23151        2.86484
H        -14.51202       15.10772        0.48690
H        -14.22116       12.71755        0.99322
O        -20.02818        8.73736        2.84685
H        -20.73651        8.07453        2.73463
S        -20.71171        7.13585        0.21914
O        -20.54456        6.37517       -0.91241
O        -21.18621        6.57218        1.39191
O        -21.92610        8.46173       -0.17827
Na       -22.41210        9.08861       -0.34228
O        -15.04067       10.39064        1.60922
N        -16.87147       16.31496       -0.15133
C        -15.74080       17.15393       -0.47650
H        -15.33678       17.61127        0.47490
H        -14.92878       16.50805       -0.92207
C        -16.02236       18.27073       -1.47063
H        -16.77545       18.99581       -1.08035
H        -15.06739       18.82034       -1.65637
H        -16.39265       17.86244       -2.44154
C        -18.16018       16.93598        0.04408
H        -17.98817       17.99753        0.38881
H        -18.70212       16.40267        0.87909
C        -19.06479       16.96557       -1.18040
H        -20.03542       17.43874       -0.89590
H        -18.60390       17.56208       -2.00405
H        -19.26677       15.93679       -1.56303
S        -16.34483        9.28538       -1.65391
O        -17.19618       10.28497       -2.66378
O        -16.29240        8.08308       -2.32405
O        -15.21579       10.03325       -1.39516
H        -18.47014       12.06523        0.52816
Na       -16.36087       12.11053       -3.12551
C          0.82814       12.24823        0.59067
C          1.69206       11.64548        1.50193
C          1.79221       10.25826        1.59724
C          0.99759        9.44092        0.76184
C          0.12526       10.05559       -0.13911
C          0.03493       11.44969       -0.25820
C          1.00447        7.93761        0.78208
C         -0.18946        7.31276        1.33122
C         -0.91761        7.92247        2.38186
C         -2.06088        7.35858        2.91285
H         -2.55428        7.87540        3.72587
C         -2.58837        6.13377        2.41063
C         -1.89489        5.55193        1.31220
C         -0.73946        6.11813        0.80639
H          2.29418       12.26620        2.15503
H         -0.49890        9.44844       -0.78714
H         -2.27881        4.66272        0.82935
H         -0.27899        5.65467       -0.05973
O         -0.81368       11.94890       -1.17866
H         -0.64731       12.92737       -1.23546
S          0.66971       14.03909        0.59137
O          2.00020       14.60127        0.91314
O          0.18327       14.36694       -0.79405
O         -0.36835       14.34784        1.63140
Na        -0.72643       16.39962        2.47033
N         -3.70496        5.55088        2.95391
C         -4.45475        6.20443        4.03428
H         -5.03578        5.42564        4.53516
H         -3.74778        6.58240        4.78075
C         -5.39322        7.32829        3.57597
H         -6.16575        6.94686        2.90098
H         -5.88988        7.77269        4.44595
H         -4.84728        8.12106        3.05476
C         -4.23505        4.28704        2.42724
H         -4.79399        3.81119        3.23794
H         -3.39725        3.61883        2.20389
C         -5.14068        4.43395        1.19759
H         -5.46757        3.44451        0.85816
H         -6.03221        5.02407        1.43199
H         -4.61756        4.92237        0.36917
S          2.94945        9.60394        2.82445
O          2.23269        8.48190        3.52070
O          3.17552       10.73492        3.78918
O          4.17725        9.18630        2.10587
C          2.06227        7.24212        0.19813
C          2.28082        5.82591        0.41808
C          3.01594        7.90809       -0.66574
C          3.28865        5.14720       -0.19034
H          1.65118        5.31238        1.13691
C          4.00735        7.23414       -1.30459
H          2.89591        8.97253       -0.83910
C          4.21137        5.79717       -1.12192
H          3.46009        4.09453        0.01892
H          4.68760        7.74656       -1.97987
O          5.12201        5.17288       -1.70178
H         -0.55068        8.84869        2.81076
Na         2.18248        9.58052        5.61718
C        -26.90937       -7.38474       -0.90701
C        -25.99589       -7.08739        0.10230
C        -24.62175       -7.12774       -0.12322
C        -24.13661       -7.49413       -1.39918
C        -25.05581       -7.81070       -2.40239
C        -26.44141       -7.74549       -2.18662
C        -22.68480       -7.55606       -1.76422
C        -21.96478       -6.33459       -1.89095
C        -22.64145       -5.09979       -2.11527
C        -21.97041       -3.91595       -2.29425
H        -22.54851       -3.02902       -2.51271
C        -20.54253       -3.84764       -2.20756
C        -19.85985       -5.07702       -1.93349
C        -20.54270       -6.25824       -1.78810
H        -26.36169       -6.82588        1.08849
H        -24.70596       -8.09598       -3.38932
H        -18.78499       -5.09252       -1.81394
H        -19.98138       -7.14782       -1.52574
O        -27.25349       -8.03601       -3.22031
H        -28.18263       -7.81144       -2.93001
S        -28.66969       -7.42190       -0.51120
O        -28.90853       -6.30250        0.43138
O        -29.33154       -7.21720       -1.85349
O        -28.93942       -8.76760        0.05766
N        -19.87857       -2.67189       -2.35706
C        -18.40775       -2.63821       -2.40564
H        -18.08800       -1.63397       -2.13312
H        -18.01653       -3.29332       -1.62424
C        -17.83453       -3.01961       -3.77482
H        -18.18206       -2.33089       -4.55206
H        -16.74053       -2.97519       -3.74252
H        -18.12827       -4.03429       -4.06211
S        -23.53934       -6.77107        1.28049
O        -22.46643       -7.82288        1.23877
O        -24.39992       -6.96872        2.49625
O        -23.03627       -5.38494        1.13027
C        -22.13950       -8.84181       -2.05320
C        -21.03091       -9.04058       -2.92949
C        -22.71211      -10.02181       -1.49415
C        -20.52240      -10.28733       -3.19766
H        -20.60895       -8.19135       -3.45462
C        -22.19896      -11.27308       -1.73352
H        -23.55129       -9.92717       -0.81418
C        -21.07792      -11.46578       -2.60393
H        -19.69975      -10.36078       -3.89596
H        -22.65709      -12.11646       -1.23582
N        -20.58736      -12.70609       -2.86612
C        -19.34271      -12.87543       -3.63340
H        -19.34217      -13.88097       -4.05032
H        -19.36607      -12.20127       -4.49239
C        -18.07713      -12.65155       -2.79850
H        -17.19060      -12.79254       -3.42623
H        -18.04615      -11.63890       -2.38379
H        -18.02423      -13.36253       -1.96724
C        -21.19859      -13.87632       -2.19112
H        -21.03625      -13.78557       -1.10866
H        -22.27896      -13.82735       -2.35907
C        -20.71011      -15.24422       -2.65835
H        -20.89974      -15.40875       -3.72368
H        -19.64763      -15.40869       -2.45646
H        -21.27146      -16.00134       -2.10148
C        -20.65355       -1.44628       -2.66915
H        -21.44479       -1.35481       -1.91832
H        -21.14593       -1.57942       -3.64151
C        -19.86131       -0.14258       -2.68425
H        -20.56535        0.66664       -2.90313
H        -19.40056        0.07338       -1.71534
H        -19.08828       -0.12390       -3.45804
H        -23.72241       -5.09955       -2.20209
Na       -23.20073       -8.87662        3.24510
C         -3.03288       -4.13506        0.72173
C         -3.41117       -5.12194       -0.18339
C         -2.91238       -6.41419       -0.06508
C         -2.01288       -6.74141        0.96343
C         -1.67797       -5.76897        1.92444
C         -2.17146       -4.45265        1.79169
C         -1.41097       -8.11206        0.88946
C         -2.27568       -9.22274        1.10484
C         -3.44680       -9.08982        1.90731
C         -4.29599      -10.14106        2.14980
H         -5.13837       -9.97662        2.80708
C         -4.07395      -11.42896        1.56334
C         -2.91828      -11.55873        0.72769
C         -2.06441      -10.50525        0.51536
H         -4.09874       -4.87009       -0.98409
H         -2.70800      -12.49271        0.22459
H         -1.23934      -10.64516       -0.17348
O         -1.81377       -3.51235        2.69789
H         -2.41493       -2.71707        2.55121
S         -3.59556       -2.43742        0.45352
O         -4.95319       -2.53777       -0.12927
O         -3.59391       -1.84924        1.84849
O         -2.58770       -1.80106       -0.43052
N         -4.93120      -12.46168        1.77428
C         -4.62191      -13.81080        1.27331
H         -5.55869      -14.35944        1.19307
H         -4.24234      -13.72648        0.25248
C         -3.63655      -14.58039        2.15974
H         -4.03886      -14.71553        3.16923
H         -3.44991      -15.57074        1.73045
H         -2.67898      -14.05631        2.24188
S         -0.70788       -6.16294        3.41073
O         -0.49657       -7.62732        3.40754
O         -1.54105       -5.68297        4.55902
O          0.54800       -5.35067        3.29652
C         -0.05039       -8.22058        0.46969
C          0.75609       -9.35849        0.76487
C          0.59394       -7.16634       -0.23761
C          2.06706       -9.45184        0.36737
H          0.34834      -10.15131        1.38124
C          1.89868       -7.25505       -0.66277
H          0.02681       -6.28012       -0.50070
C          2.70085       -8.40376       -0.37329
H          2.62320      -10.33428        0.65354
H          2.30342       -6.43508       -1.23954
N          4.00189       -8.48080       -0.76477
C          4.76386       -9.72845       -0.59805
H          5.82279       -9.47586       -0.60206
H          4.56240      -10.13205        0.39691
C          4.46955      -10.77424       -1.67924
H          5.06544      -11.67471       -1.49472
H          3.41222      -11.05792       -1.68333
H          4.72435      -10.39365       -2.67401
C          4.57854       -7.36573       -1.55250
H          4.04771       -7.29669       -2.51164
H          4.37778       -6.43776       -1.00768
C          6.07944       -7.44324       -1.81566
H          6.66114       -7.45760       -0.88864
H          6.36056       -8.30709       -2.42517
H          6.36321       -6.54326       -2.37064
C         -6.08763      -12.25941        2.68070
H         -6.62406      -11.36822        2.33960
H         -5.71076      -12.04240        3.68892
C         -7.08442      -13.41190        2.75661
H         -7.88552      -13.10852        3.43823
H         -7.54098      -13.62907        1.78597
H         -6.64346      -14.32996        3.15585
H         -3.65300       -8.13745        2.38381
Na        -0.36090       -3.56648        4.60239
H         -3.18653       -7.17140       -0.79170
C         18.77533       -8.09777       -0.49978
C         19.86843       -8.77901        0.08347
C         19.87615      -10.16918        0.17560
C         18.78296      -10.93377       -0.27115
C         17.68946      -10.27029       -0.82745
C         17.67287       -8.87502       -0.95330
C         18.79140      -12.40753       -0.14608
C         19.97841      -13.12303       -0.49912
C         20.90403      -12.61068       -1.45494
C         22.03276      -13.29993       -1.82758
H         22.65863      -12.87355       -2.59905
C         22.36636      -14.56110       -1.23800
C         21.45093      -15.07036       -0.26193
C         20.31281      -14.38320        0.08076
H         20.72293      -10.65364        0.64174
H         16.83361      -10.81893       -1.20472
H         21.65138      -16.00562        0.24299
H         19.68030      -14.79047        0.86177
O         16.56321       -8.35695       -1.51522
H         16.74881       -7.38892       -1.70376
S         18.60116       -6.27426       -0.58940
O         19.92065       -5.68532       -0.88578
O         17.64805       -6.08073       -1.74979
O         17.98740       -5.87968        0.70217
N         23.50044      -15.22777       -1.58146
C         23.74553      -16.59516       -1.09528
H         24.81730      -16.77974       -1.14461
H         23.48810      -16.64142       -0.03488
C         22.99013      -17.66822       -1.88706
H         23.28648      -17.66006       -2.94129
H         23.21562      -18.65822       -1.47606
H         21.90748      -17.51420       -1.83584
S         21.39624       -8.00488        0.75070
O         22.21817       -7.58958       -0.40746
O         22.04045       -9.10029        1.55869
O         20.97290       -6.90818        1.67909
C         17.60740      -13.06452        0.31857
C         17.27565      -14.39927       -0.06007
C         16.67970      -12.41228        1.18240
C         16.13293      -15.02385        0.37590
H         17.91220      -14.92292       -0.76469
C         15.54773      -13.03508        1.65024
H         16.89762      -11.40861        1.53042
C         15.21085      -14.36843        1.25304
H         15.93365      -16.02539        0.01950
H         14.91926      -12.49521        2.34473
N         14.06685      -14.96838        1.67763
C         13.80795      -16.38696        1.38425
H         12.73323      -16.54938        1.44569
H         14.07555      -16.58349        0.34362
C         14.53929      -17.34929        2.32660
H         14.30381      -18.38374        2.05386
H         15.62461      -17.21813        2.26863
H         14.23173      -17.19123        3.36569
C         13.17940      -14.23752        2.61369
H         13.71698      -14.07426        3.55742
H         12.98359      -13.25141        2.18109
C         11.83646      -14.89832        2.91009
H         11.23362      -15.03245        2.00649
H         11.93921      -15.86299        3.41565
H         11.28362      -14.23293        3.58098
C         24.38187      -14.65135       -2.62506
H         24.58882      -13.61371       -2.34545
H         23.83477      -14.62569       -3.57710
C         25.71707      -15.35976       -2.83323
H         26.26861      -14.80362       -3.59804
H         26.32704      -15.36668       -1.92446
H         25.60238      -16.38651       -3.19283
H         20.68499      -11.67214       -1.95200
Na        21.79468       -7.96455        3.62350
