First atomset in SCAN330 file ../mddata/s0016/md053.r
-11.65721165 -2.61522019 -18.39683924
0.00002224 -0.00024469 -0.00047083
-18.02587732 -1.10812053 5.69939833
-0.00013525 -0.00019420 0.00021829
-7.06060699 -2.27832734 16.00364426
-0.00008280 0.00012889 -0.00005025
-0.18346421 15.44532872 18.97702349
0.00001395 -0.00025512 0.00016139
12.48572485 27.00123443 -7.11983428
0.00039164 0.00014884 0.00006570
8.96083205 32.19083420 0.09200733
0.00014892 0.00048441 0.00036150
-22.46549676 21.92361659 -10.97539251
-0.00005654 0.00017178 0.00031863
4.50363184 11.15374672 -21.95345092
-0.00032454 0.00012886 -0.00028097
6.70854128 -14.75733508 9.45225785
0.00007201 0.00028838 0.00003404
0.57792533 -4.16695270 22.50334248
0.00027586 -0.00030937 -0.00005958
-15.61867806 -6.48713017 13.82330205
0.00042842 0.00033520 0.00010198
10.17572518 1.03089211 -11.48109856
-0.00014182 -0.00021495 -0.00015140
-10.30272102 -32.77603207 -7.01887898
-0.00000994 -0.00019565 0.00009868
20.55208806 -20.02963711 24.35422838
-0.00014614 -0.00002720 0.00023908
0.67321682 -39.52187792 24.05358534
-0.00023147 0.00027193 0.00008601
-3.64151577 -1.71606298 1.31919742
-0.00018383 -0.00007135 -0.00037423
0.48120442 -6.20924435 13.75746822
-0.00011442 -0.00000469 -0.00000432
0.99113829 1.10003789 7.92377757
0.00025716 -0.00011333 0.00007995
-7.36366612 -1.98644811 21.40006694
0.00005691 -0.00013481 -0.00007885
-16.00683322 5.03510260 -20.40034703
-0.00005402 -0.00032696 0.00016872
18.93543043 7.01160334 -6.71054029
-0.00009035 -0.00010678 -0.00005263
-16.16743749 20.32155169 -5.88137449
-0.00008835 -0.00026912 -0.00006264
-4.00743860 -10.57776393 4.84530242
0.00008677 -0.00041918 0.00007704
0.74215517 -13.27850025 -3.31327794
0.00023379 -0.00014490 -0.00029350
1.81700925 -13.00879842 15.02691208
0.00016196 -0.00005582 -0.00002529
32.64509615 14.01088680 7.83450011
-0.00006877 -0.00002838 -0.00011455
1.39787545 -15.34265102 29.98493634
-0.00013657 -0.00003055 -0.00012020
-8.38269912 -7.83837375 -0.61420683
-0.00003713 -0.00014495 0.00011670
-3.54282775 -0.94119508 6.51372629
-0.00024216 -0.00007883 -0.00009621
-17.80644863 0.58684240 -9.03474877
0.00019140 -0.00014246 0.00009162
-3.39347031 11.33343360 -10.13470230
0.00003173 0.00014250 0.00005314
13.43039189 2.23737454 -17.74390668
-0.00003581 -0.00011823 -0.00033687
3.68655777 -5.35448433 2.97775418
0.00005832 0.00040949 0.00004222
-28.82015155 -5.75928907 7.93300820
0.00015529 -0.00001454 -0.00008314
21.01283836 0.67541404 15.53309615
-0.00013231 0.00029629 -0.00024580
-14.20966916 4.33724402 -3.40235666
0.00014501 -0.00004128 0.00032950
-15.02019786 19.13896181 8.45645536
-0.00026026 0.00020240 0.00025239
8.67603690 14.56120315 -4.04999858
0.00000772 -0.00011293 0.00006482
-5.05873466 -6.70754936 -10.55179956
-0.00006291 -0.00012243 0.00031428
4.45728493 -33.46445384 12.37419022
0.00034588 0.00007867 -0.00021739
-10.03587481 4.07469109 0.77301824
-0.00021116 -0.00001980 -0.00026280
-9.09463233 9.02863878 24.26259751
0.00003065 -0.00002149 -0.00005726
1.13195512 13.63614975 4.45178015
-0.00010703 0.00013178 -0.00006001
14.48884528 15.54074022 4.45159915
-0.00005103 -0.00028668 -0.00027992
-33.60672808 13.82069283 -11.79357909
0.00014552 -0.00015226 -0.00005232
-5.94869394 16.15743705 -28.30220638
0.00007675 0.00005321 -0.00028864
7.16451871 6.27145415 -8.94014079
0.00015326 0.00036065 -0.00004462
18.58880247 -19.68595060 12.82894695
-0.00009538 0.00032633 0.00025201
17.87264120 9.85456341 -26.24792555
-0.00007861 0.00006892 0.00002428
16.30867848 3.39828415 -3.53033061
-0.00023477 0.00024810 0.00016320
-19.95181984 22.84687915 -2.54252102
0.00026310 0.00030065 0.00014738
-12.03417607 6.79154699 -15.62176049
-0.00019089 -0.00021396 0.00017635
-12.82423154 -3.39679771 -24.03952893
-0.00037477 0.00018799 0.00022411
7.34114985 0.39973183 0.91245196
-0.00006531 0.00007484 -0.00004977
-22.86801777 4.92684475 -6.58451559
-0.00012406 0.00013738 -0.00041700
17.86807417 -19.31923465 5.76478376
0.00009300 0.00029471 0.00013114
8.36357652 -7.67977532 0.92568726
0.00011069 0.00045175 -0.00018568
-9.64624607 10.65391380 -17.73611659
-0.00006037 0.00009218 0.00017062
14.03663574 -16.60407765 -10.80696027
0.00015218 -0.00004145 -0.00020443
-23.45325836 5.04408475 -12.29997573
-0.00002588 -0.00027471 0.00015720
-8.05954029 -0.28425891 -12.86144489
-0.00036176 0.00008258 0.00016415
6.06491037 10.09971902 18.73834944
0.00011128 -0.00021981 0.00008883
-5.61839527 -14.34018745 8.10998356
0.00044995 0.00004726 0.00025718
4.02909712 5.05600089 -2.71285476
0.00029442 -0.00023588 0.00018293
-12.02960899 -2.99702580 -20.16600044
-0.00054813 0.00082219 0.00005043
-13.19951237 -3.18304160 -17.42589503
-0.00008526 0.00054768 -0.00020505
-18.82016308 -2.69332021 4.89966829
-0.00031840 -0.00004971 0.00044659
-16.73024061 -1.95162570 6.85094217
-0.00000410 -0.00075447 0.00028912
-7.68931742 -1.72481816 14.26399103
-0.00009885 -0.00016229 -0.00021171
-6.97585833 -4.05701320 15.67963340
0.00007287 0.00062081 0.00015817
0.07296702 16.68418366 20.27764658
-0.00071868 0.00038871 0.00076099
0.40651597 15.99366084 17.33100013
0.00082278 0.00076599 0.00060177
11.05015441 27.62049589 -6.11878589
0.00032833 0.00001251 0.00062431
13.07834700 28.34967409 -8.20303574
0.00063694 0.00033244 0.00053441
10.64295170 32.83850708 0.31782417
0.00033378 -0.00055158 -0.00045101
8.67913313 30.90121025 1.46604937
-0.00019013 -0.00135521 0.00056888
-22.35981731 22.79349083 -12.65651561
-0.00033435 -0.00066727 -0.00074938
-20.85839407 22.55846828 -10.21100210
0.00001256 -0.00012865 -0.00029040
6.05823558 11.17207011 -22.88958638
-0.00022172 0.00018565 -0.00001052
3.45448266 9.56301004 -22.24990758
0.00069815 -0.00082195 -0.00012770
8.16904998 -15.57831004 8.92871918
-0.00078117 0.00088286 -0.00023346
5.31168255 -15.46200845 8.34932820
0.00085102 -0.00002623 -0.00004807
1.63951976 -2.72217938 21.66328289
0.00009485 -0.00011040 0.00003167
-1.08170045 -3.31877914 23.00983155
-0.00041620 0.00028274 -0.00074133
-16.87168636 -7.86902093 13.62228032
0.00014391 -0.00007688 0.00022856
-13.95995965 -7.17846541 13.98798064
0.00056521 -0.00053249 -0.00062898
10.74924781 1.65053846 -9.77707193
-0.00003072 -0.00012700 -0.00034950
11.65141138 0.58401622 -12.47388853
-0.00049256 -0.00001823 -0.00005533
-11.60723437 -32.15244578 -5.94221047
-0.00088392 0.00142198 -0.00023384
-8.65197053 -32.04902435 -6.60924142
-0.00047111 -0.00008700 0.00036292
22.01209380 -19.05417727 24.74646382
-0.00042558 0.00017765 -0.00019693
19.33454459 -19.29463093 25.45065270
0.00013935 0.00047412 -0.00056016
1.98599974 -40.19089261 22.95441100
-0.00017550 -0.00007917 0.00060469
-0.18950283 -38.19148625 23.08207194
0.00036226 0.00017295 0.00012856
-2.76649037 -0.18399480 0.75044314
0.00044560 0.00016370 0.00044327
-5.19881383 -1.72497295 0.36239961
-0.00045922 -0.00065676 0.00016771
0.91408248 -4.68231959 12.97137956
0.00033639 -0.00032052 -0.00019845
1.42851780 -7.35963387 12.78457118
-0.00057940 -0.00032402 -0.00014937
-0.36288421 -0.14604842 7.27790550
0.00082810 -0.00016530 0.00048827
2.55875613 0.39854836 7.27315560
-0.00019064 0.00041688 0.00039541
-7.58273478 -0.14058695 21.11330214
0.00045808 -0.00069703 -0.00058116
-6.98674617 -2.61376055 19.65339406
0.00046141 0.00000509 -0.00019465
-16.34193860 3.45535491 -21.30456549
0.00067323 0.00034872 0.00028193
-16.17403342 4.61077004 -18.75005656
-0.00112847 0.00043025 0.00047984
18.50602300 5.94191483 -8.15603569
-0.00031713 0.00029804 -0.00001212
20.36251274 6.09700523 -6.04880875
0.00076997 -0.00026140 0.00006265
-15.98234857 19.06255991 -7.31405065
0.00027402 -0.00120087 0.00031268
-14.59822564 20.55155793 -5.16967251
-0.00012504 -0.00014953 0.00076749
-4.86796537 -9.45307027 6.07573274
-0.00028939 -0.00006213 0.00007693
-5.33630322 -10.52483738 3.52999695
-0.00057881 -0.00061029 -0.00039615
2.56265050 -13.29391773 -3.49463263
-0.00044247 0.00002249 0.00014631
0.31652094 -11.56874508 -3.83180423
-0.00026449 -0.00027879 0.00072829
1.43069981 -13.62096675 16.69532158
-0.00011149 -0.00151161 -0.00029080
0.18094194 -12.92875924 14.23618874
-0.00028094 0.00025475 -0.00054178
33.82827214 13.20263208 9.11174056
-0.00018525 0.00115291 -0.00042331
31.66921648 12.48877143 7.40894593
-0.00032270 0.00014573 0.00030407
1.39830042 -13.53005003 30.15906084
-0.00011514 -0.00032852 -0.00000891
1.62448076 -15.79826966 28.20055649
0.00024194 0.00014605 0.00017406
-9.19758773 -9.27045132 -1.42366336
-0.00038423 -0.00049587 -0.00012243
-8.96185454 -7.84436043 1.07085762
-0.00006153 -0.00021053 -0.00042181
-3.45485755 -1.04578181 4.61621598
0.00028486 0.00027401 -0.00020408
-3.74076049 -2.68369534 7.05141017
-0.00082699 -0.00073534 -0.00064206
-16.93851941 -0.56227439 -7.75048579
-0.00019644 -0.00011533 0.00020092
-16.50836605 0.46259378 -10.29568337
0.00040709 -0.00096945 0.00038361
-3.92752494 10.22505645 -11.59776470
0.00063743 0.00066915 0.00096425
-3.75958151 10.33472054 -8.65776938
0.00015215 0.00000405 -0.00025493
12.87132798 2.52053448 -19.51217735
-0.00090929 0.00031571 0.00076016
12.97929023 0.44119781 -17.43714970
-0.00131518 0.00018628 -0.00007121
2.45683191 -4.77305116 1.68239110
-0.00043170 -0.00012798 -0.00103394
2.78413860 -6.71728623 3.80031519
0.00024564 -0.00004502 -0.00014765
-29.38546726 -6.16565915 9.73151041
-0.00015652 0.00069991 -0.00004115
-30.24996485 -5.33058605 6.85542198
0.00027192 0.00008359 -0.00027085
22.14449511 -0.34905142 14.40997448
0.00049520 -0.00101331 0.00008894
19.75234959 -0.49610729 16.25205320
0.00033627 0.00040360 0.00076613
-13.88453070 5.92814595 -2.55247296
0.00081854 -0.00039637 -0.00052911
-16.08594228 4.21846611 -3.49758795
-0.00029221 0.00098108 0.00029285
-14.09708509 19.37893869 10.01325686
0.00119346 -0.00017367 0.00043033
-15.03005725 17.19509721 8.38549291
-0.00023930 -0.00005433 -0.00064705
7.73841736 12.96001096 -4.41332358
-0.00082249 0.00003844 0.00030445
7.54704934 15.81882979 -4.60185188
0.00034141 -0.00027327 0.00002419
-5.31025792 -8.57985872 -10.55396584
-0.00025582 -0.00044762 -0.00018837
-3.16666773 -6.48740772 -10.58196504
0.00094389 -0.00013475 -0.00050414
4.13538233 -34.92578212 13.47734860
0.00056629 -0.00035937 0.00022458
5.83604763 -33.93858689 11.09976396
-0.00040513 -0.00088926 0.00017676
-11.69949710 3.90431675 -0.17340583
0.00008517 -0.00034852 -0.00040095
-8.79683624 3.89795128 -0.55729225
-0.00001242 -0.00014767 -0.00040213
-9.11527405 7.16948258 24.59218362
0.00067542 -0.00002880 0.00016317
-7.73229207 9.41451025 23.04351176
-0.00080685 0.00134746 -0.00102295
1.99657172 13.35159012 2.96614329
-0.00002961 -0.00086481 -0.00034668
-0.66023270 13.81829476 4.15495148
-0.00018279 0.00074238 -0.00005334
13.34337672 17.02098739 4.99293225
0.00004482 0.00008001 -0.00007333
13.42540491 14.09567453 4.82399522
0.00083068 -0.00000299 0.00124313
-33.13141930 12.31677594 -12.71161549
0.00041206 -0.00013208 -0.00042450
-33.64730660 13.50861759 -9.92346554
0.00039085 -0.00142844 -0.00046817
-6.15000248 16.73928293 -26.59604567
-0.00039276 0.00099287 -0.00006605
-4.08178588 16.11103363 -28.44561676
0.00001574 -0.00044002 -0.00017516
6.98694269 4.46073502 -8.86965504
-0.00115940 0.00023758 -0.00019726
6.47095031 6.97635955 -10.51429068
0.00010820 -0.00061716 -0.00010406
20.01397840 -18.97485571 11.78639365
-0.00068514 0.00039286 0.00054418
19.54519664 -21.07829744 13.66566704
0.00032118 0.00004256 -0.00020829
17.07496294 11.23802942 -27.17879228
0.00009151 -0.00063803 -0.00018902
18.00480892 8.58637681 -27.56505615
0.00055179 0.00002896 -0.00023902
15.13928735 3.41479320 -4.98684161
0.00023581 0.00023003 -0.00026326
17.57874007 4.48304189 -4.15442260
-0.00058054 0.00016272 -0.00006759
-18.80636859 22.78450323 -1.09084875
0.00003855 -0.00117531 0.00009387
-18.95689373 21.99843907 -3.82775169
0.00057478 0.00139871 -0.00035817
-11.49999809 8.16357989 -16.63089635
0.00026699 0.00048016 -0.00056851
-11.38803328 5.30789436 -16.55731017
-0.00032454 0.00021646 0.00044610
-13.24588294 -5.16590651 -23.64397774
0.00036646 -0.00017439 -0.00066023
-11.07647566 -3.53082737 -24.37964059
-0.00085908 0.00013973 -0.00005658
6.96376720 -0.38183468 2.47830684
-0.00038590 0.00033775 -0.00063103
9.03341204 -0.22941371 0.29102652
-0.00017644 0.00061303 -0.00013253
-23.73966623 3.21426826 -6.62267607
-0.00036849 0.00058679 0.00077151
-22.36227652 5.12897123 -8.36628133
-0.00124591 0.00136929 -0.00003820
19.22669622 -20.53163270 5.90422185
0.00043028 -0.00037440 0.00011635
16.20937870 -20.27680925 5.68736739
-0.00046153 -0.00056780 0.00078586
6.63123801 -7.58407135 1.55041505
-0.00079154 0.00096407 0.00036228
8.24708712 -8.55238515 -0.77081155
-0.00012419 -0.00059447 0.00017880
-8.02228992 10.13187993 -16.72012229
0.00076933 -0.00090915 0.00022211
-9.20762911 10.16166716 -19.47758617
0.00035235 -0.00089776 -0.00002222
12.59543242 -16.68126725 -11.98239809
-0.00041557 -0.00066991 -0.00128209
15.25862317 -17.64933698 -11.72912067
0.00041445 0.00073979 -0.00054222
-22.92604362 3.20220009 -12.70557036
-0.00062111 0.00039659 -0.00007481
-22.85448189 6.02193217 -13.69443691
0.00015513 -0.00037461 -0.00082273
-6.76987429 -0.34577813 -14.21232780
-0.00000653 -0.00068554 -0.00003933
-7.48631609 1.32676902 -12.18489826
0.00056096 -0.00046146 0.00078503
6.08624031 8.75573952 17.44054748
0.00110271 0.00017596 -0.00105403
7.20996910 9.43393955 20.02202440
-0.00018092 0.00014427 0.00066279
-4.61969659 -13.49987370 6.77478970
0.00020655 0.00064709 -0.00039945
-5.60889842 -16.09097218 7.53351610
-0.00028086 0.00045053 -0.00040344
2.88767428 5.27603438 -4.11513723
-0.00110964 -0.00075443 0.00035462
3.79280348 3.25830237 -2.26072240
0.00106328 -0.00062842 0.00005958