First atomset in SCAN330 file ../mddata/s0026/md056.r
9.62065834 -9.12355257 -12.85351115
-0.00021642 -0.00007255 -0.00025481
10.80765060 28.79996130 -22.58743084
0.00018078 0.00008962 0.00011083
10.56757753 9.71517381 -2.45259084
0.00000402 -0.00018893 -0.00005049
-8.97581835 23.62805133 4.10656088
-0.00020795 0.00016669 -0.00008620
-0.78021631 -5.29421384 -12.53897566
0.00013964 0.00019930 0.00019017
17.37665661 -21.49473914 11.56691487
0.00023985 0.00026955 -0.00004664
5.86423083 -12.61443169 3.97032337
-0.00000286 -0.00013655 0.00006347
-1.39411247 -28.07079134 23.26915135
0.00025825 0.00008146 0.00021333
22.39735660 29.32273436 24.79921044
0.00004299 -0.00011979 0.00014726
7.10273104 2.62593302 10.08117947
0.00001147 0.00000986 -0.00004625
2.45131599 9.69340438 -12.05483494
-0.00010439 -0.00003431 0.00041743
-5.64409895 -5.74335446 8.96531466
0.00006966 -0.00003125 0.00029360
5.87661025 -5.53572914 -11.28531437
0.00000815 -0.00005554 -0.00027769
-20.13558694 -8.66580419 8.36045071
0.00000028 0.00009924 -0.00012209
-12.70923177 -17.67122269 -38.31311363
-0.00020052 0.00010158 -0.00016088
9.77520440 -6.57837733 19.26866184
0.00015656 0.00022190 0.00001258
-7.03230885 -8.49210669 -9.79930066
-0.00016792 -0.00021100 0.00020956
-11.16685119 17.70649568 -19.58781940
0.00002391 0.00043628 -0.00009412
6.18663740 10.46600622 -5.42047911
0.00002483 0.00025814 0.00004830
-20.89909245 -4.85257984 -3.21779572
0.00002796 0.00007065 0.00008004
-2.03868469 -10.10265078 -16.15648579
0.00011226 -0.00036628 0.00030441
11.52776813 -26.29137856 14.20507770
0.00028365 0.00000549 0.00024430
7.73466584 9.97334179 -38.46590271
0.00023405 0.00010476 0.00026326
-3.49350099 6.61362821 20.23951191
-0.00039792 -0.00039406 0.00040538
1.08482106 -9.70508590 3.07199691
0.00005749 0.00023794 -0.00000086
-0.18363046 -10.09590562 -8.68879030
-0.00007605 -0.00000696 0.00005839
-9.22419736 -17.02335297 -10.72137443
0.00008781 -0.00000490 0.00013214
6.37230970 6.96107199 -10.02645739
-0.00017341 -0.00014835 0.00013849
3.38083098 -15.11559757 -1.97217444
0.00016404 0.00013200 0.00030409
11.78793078 -9.18755058 -8.10971176
0.00001990 0.00032525 -0.00001044
-28.61941649 -15.48721287 4.06776101
-0.00001374 0.00015754 -0.00016695
5.56255375 3.16158294 -6.50191796
0.00009943 -0.00017808 -0.00010822
4.60809282 -0.51478143 13.44209499
-0.00014529 -0.00023418 0.00018348
-5.24435105 -13.43016846 13.92194858
-0.00020899 -0.00009811 0.00011542
-9.51994081 0.78061809 -1.07158690
-0.00023807 -0.00016337 -0.00003099
9.40706902 -0.70261382 -2.83750087
-0.00038971 0.00016165 -0.00059093
21.69114589 -0.24523995 -3.07549455
-0.00007915 0.00001851 0.00018857
0.15333310 -0.90000455 7.65619269
0.00028850 -0.00015490 0.00010147
8.08419160 -25.19967081 2.15209075
-0.00005227 0.00012613 -0.00016759
-9.45799044 14.69965843 -15.37493786
0.00025216 -0.00010181 -0.00013817
0.63611933 1.99067780 -8.15527638
0.00005989 0.00015008 -0.00032000
-16.63380327 16.85466647 -19.21859943
0.00025329 -0.00002704 -0.00005355
18.03529004 -5.61169113 -3.34321944
-0.00010120 -0.00028242 0.00000908
11.05764299 9.21872343 -7.97265416
-0.00035148 0.00020221 0.00000729
-6.31563503 1.13267662 -4.61042570
0.00021704 -0.00027227 0.00014099
0.29005111 -11.16797088 21.56607614
0.00002477 0.00026000 0.00009044
-9.55484189 16.18402037 -0.69842257
0.00022218 0.00009477 0.00010400
19.74331567 -10.42910186 -4.58085908
-0.00046452 -0.00015774 -0.00015969
2.54228108 27.42307610 8.64951605
0.00026260 -0.00034295 -0.00026485
1.13430769 -4.51287384 -19.51362265
-0.00015034 -0.00003233 -0.00020964
-8.37209969 12.02097965 2.79404114
-0.00014010 0.00003933 -0.00008030
-6.60319591 -3.10601625 13.61165329
-0.00001906 0.00010804 -0.00000375
27.46017335 3.12259205 -25.10862146
-0.00004081 0.00005244 -0.00008413
-20.19534960 -1.17391697 23.98425119
0.00001151 -0.00013946 0.00001197
2.53256508 7.07128028 4.67785486
-0.00015158 0.00001838 0.00020968
-16.84798525 3.57578497 2.50083652
0.00012887 -0.00012311 -0.00002634
21.24123834 5.25704951 -11.01155819
-0.00006095 -0.00004599 -0.00030409
-19.42631965 -8.26070672 16.47181424
0.00029194 -0.00001633 -0.00009138
21.80565534 31.62102403 -15.80281016
-0.00022238 -0.00001882 -0.00038093
35.95180541 2.17745630 -7.02127025
-0.00021468 0.00007982 -0.00007279
18.39442072 -1.04308175 -16.30504814
-0.00002886 0.00003006 0.00004029
15.78299717 9.63839078 -5.08929476
0.00015838 0.00001271 -0.00009683
-32.95792296 28.55963415 -18.57883494
-0.00000142 0.00016962 -0.00006008
7.43564281 -33.18776176 -0.50912438
0.00025686 0.00001948 -0.00012785
11.11044293 -8.83517380 -14.05955426
0.00010025 0.00011999 -0.00026799
10.52544052 -8.68141426 -11.14573140
0.00046208 0.00037351 0.00024895
10.53369535 30.22000721 -23.69238472
0.00087597 0.00008180 0.00009738
9.19137938 28.01680892 -22.17701872
-0.00073706 -0.00026936 -0.00058459
10.18766991 11.14316754 -1.36133171
-0.00049299 0.00054411 0.00000404
9.21658600 10.00671488 -3.77083976
0.00020636 -0.00029980 -0.00048480
-7.55391937 22.84753006 4.86924947
-0.00002267 -0.00002509 0.00049067
-8.47582959 23.78010104 2.28688579
-0.00093324 0.00001597 -0.00005079
-2.64778848 -5.75529555 -13.23044092
-0.00025542 -0.00041265 -0.00070602
-0.62983444 -6.91927852 -11.65923554
-0.00006964 -0.00030352 -0.00040964
18.65944516 -20.20707443 12.09121308
0.00018215 0.00145537 -0.00046450
15.85651068 -20.56578397 11.31848154
-0.00029002 0.00072589 0.00060611
6.83627788 -12.66830574 5.51191715
0.00016167 0.00040856 -0.00045588
7.02858701 -12.59141865 2.62264097
0.00128335 -0.00011708 0.00030414
-2.77870783 -29.23265008 22.88380964
-0.00007692 0.00027442 -0.00031705
0.10493167 -28.57414947 22.28308617
0.00021819 0.00093481 -0.00020650
21.25869371 30.22429925 25.91788580
0.00014284 -0.00062917 -0.00048314
21.70420294 29.79168268 23.10952757
0.00010927 0.00016804 0.00026739
5.54223483 3.11084210 9.24489808
0.00001840 -0.00067888 0.00062339
6.40558682 1.35268626 11.33362682
0.00021474 0.00001461 0.00038032
3.10046395 11.05896388 -13.20424605
0.00017390 0.00082425 -0.00028985
1.09081820 8.91460929 -13.05899491
0.00025580 -0.00033000 -0.00160961
-6.27376175 -4.88518142 10.50585596
-0.00001933 -0.00000021 0.00111152
-5.52439680 -4.03248549 8.01871151
0.00007577 0.00062738 -0.00034579
5.27749253 -6.52588609 -9.84739894
-0.00030891 0.00009063 0.00100967
7.39776121 -6.40704990 -11.96840999
-0.00009972 0.00006584 0.00026468
-19.56521063 -7.42747258 9.71904717
-0.00074119 -0.00088103 -0.00230022
-21.92085041 -8.31832089 8.32033734
0.00092717 0.00076791 0.00014560
-11.70338316 -17.74810132 -39.87459638
-0.00066389 0.00055239 -0.00061737
-13.56165853 -19.24584005 -38.06940162
-0.00045168 0.00054920 0.00046462
9.05756483 -4.97942086 18.66455858
-0.00001823 0.00075361 0.00057173
10.40719751 -7.43559232 17.73365640
0.00020788 -0.00015399 -0.00005764
-5.99847101 -6.95877459 -9.70965303
0.00086214 -0.00013064 -0.00019937
-5.70809604 -9.79222308 -9.81096933
0.00026358 -0.00037546 -0.00030727
-10.57018204 19.47309485 -19.40974978
-0.00081735 0.00039344 0.00048594
-12.97092431 17.74789334 -19.57479881
-0.00081141 0.00007182 0.00028344
6.15445033 9.09159939 -6.66351094
0.00003888 0.00050142 0.00014359
5.18066050 9.75981381 -4.05604557
-0.00015453 -0.00074806 0.00080281
-19.91543360 -3.66837667 -2.25058068
-0.00018782 -0.00088058 0.00063854
-19.96663658 -5.86521217 -4.57191506
-0.00042675 -0.00018790 -0.00009322
-1.92925875 -11.87236726 -15.73046799
0.00023741 -0.00007045 -0.00023385
-3.78786966 -9.66014563 -16.64031033
-0.00015243 0.00003438 0.00031309
11.45381099 -24.70171673 15.07004859
0.00066596 0.00031709 -0.00042396
9.97274212 -26.54932039 13.29416288
0.00037407 0.00000891 -0.00034175
8.32278193 11.45960701 -37.45533705
0.00003433 0.00057376 -0.00060659
8.57033042 8.56381018 -37.69386900
0.00015769 0.00026879 -0.00063874
-3.28392196 5.13905842 19.14087950
0.00031917 -0.00001250 -0.00091625
-5.29107506 7.14215294 20.08085495
-0.00086645 0.00130639 0.00021626
-0.19912270 -10.40103251 4.27074844
0.00089622 0.00002666 0.00013633
2.57843788 -10.90689848 3.30764708
-0.00008405 -0.00025242 0.00002229
-0.09675612 -11.40113005 -10.03008282
-0.00083849 -0.00045044 0.00086675
-1.74230311 -10.26600858 -7.75893757
-0.00033234 -0.00037899 0.00017496
-10.14926096 -16.62498726 -12.27632497
-0.00010877 0.00009648 0.00029558
-7.53369199 -16.28918628 -10.75743801
0.00087650 -0.00051194 -0.00074633
4.90531479 7.82212501 -10.75605091
0.00033632 -0.00053994 0.00009997
6.90095225 5.55533369 -11.22760248
-0.00029929 -0.00058960 0.00053094
3.40430579 -17.00273508 -1.84102237
-0.00028229 0.00000508 -0.00041264
1.66804323 -14.38423894 -2.02901333
-0.00026875 -0.00043246 0.00001645
11.53509229 -11.14638200 -8.09199688
-0.00018891 -0.00049381 -0.00006032
13.59045418 -8.89689810 -8.36544263
-0.00052087 0.00012525 -0.00033586
-30.01684401 -16.53725773 4.37987320
-0.00098875 -0.00051532 0.00022519
-29.43781683 -13.95765336 3.40778126
0.00083837 -0.00071908 0.00044156
5.73440483 1.53965967 -7.37044450
0.00064590 -0.00006964 0.00057014
6.05959592 4.52535231 -7.81906428
0.00053421 0.00092884 -0.00007411
4.71864860 -2.34356987 13.08487342
0.00037274 -0.00024844 -0.00073184
2.81140854 -0.25171071 13.99823262
0.00051457 0.00002304 -0.00022418
-5.64336211 -13.45348669 15.69070325
0.00114259 -0.00032275 0.00025550
-3.92842196 -14.71294994 13.81365590
-0.00021408 -0.00029661 0.00049236
-8.37582104 1.11347726 -2.48946694
0.00016954 0.00098079 -0.00062241
-9.89432339 2.53182955 -0.42245358
0.00028777 0.00051238 0.00031588
11.24125714 -0.15651820 -2.42021740
0.00047340 -0.00090589 -0.00064115
8.70598395 0.80451272 -3.61766080
0.00009302 -0.00008567 0.00000714
21.60017276 -2.04161946 -2.36536971
-0.00010437 -0.00030576 0.00025419
22.35058644 0.49744862 -1.51997941
0.00017067 -0.00013606 0.00059736
0.34113356 -1.83731356 9.23838199
0.00003055 -0.00038994 0.00006465
0.67395631 -2.14849454 6.24710117
0.00037595 0.00002732 0.00034041
8.35666574 -25.02967088 0.24908219
0.00054549 0.00006660 0.00054913
9.19043828 -23.90404635 2.93184863
0.00018767 0.00024351 -0.00083541
-8.15411040 15.43044343 -14.31444888
0.00018128 -0.00040192 0.00052742
-9.51780045 15.82297932 -16.87218019
0.00007768 -0.00005291 -0.00027524
1.99359784 2.87206085 -7.22581918
-0.00067714 0.00019349 0.00088503
-0.25182481 0.86124524 -7.06772012
-0.00062834 0.00028994 0.00106488
-17.55605803 16.02110936 -17.90704683
-0.00004269 -0.00000165 -0.00045028
-16.93803399 18.68149449 -19.31678463
0.00111275 0.00003618 -0.00009034
16.39911201 -5.93936740 -2.45274591
-0.00043759 0.00062715 -0.00111932
17.76860472 -4.86686619 -5.03187964
0.00014602 0.00040973 -0.00117925
12.57364864 8.25821737 -8.50134471
0.00094138 -0.00017282 -0.00116146
10.07928037 9.03673228 -9.49801657
0.00044858 -0.00018203 -0.00014060
-7.24262189 0.49377803 -5.99209922
0.00065495 0.00037274 0.00030474
-4.85622118 0.28895960 -4.02035555
0.00041937 0.00045760 -0.00021696
1.42905999 -10.06132191 20.73152208
-0.00058690 -0.00029977 0.00020583
0.54801521 -10.58481559 23.28275480
-0.00066295 0.00009184 -0.00008424
-10.90494691 16.32048789 -1.91812726
-0.00113158 -0.00005601 0.00029860
-9.86760885 17.30805543 0.60277302
-0.00040251 -0.00065629 0.00040609
20.83672569 -10.91799125 -3.13977192
0.00044456 -0.00017196 0.00025245
18.89616624 -8.87313247 -4.08045030
-0.00005166 0.00006437 -0.00011996
2.54353549 28.47627637 7.16273246
-0.00079034 -0.00073545 0.00062789
1.61057929 25.87825183 8.38973842
-0.00075987 -0.00027418 -0.00000578
-0.16456969 -4.51310724 -20.81016766
-0.00006068 -0.00058358 0.00033225
1.64924858 -6.29758389 -19.30296397
0.00029756 0.00050368 0.00007080
-8.58291176 13.35769226 1.54784758
-0.00017493 -0.00026360 -0.00097353
-8.75322802 12.81577473 4.37314710
-0.00008130 -0.00003822 -0.00080244
-8.44237246 -2.87813599 13.72840827
-0.00055422 0.00032013 0.00040335
-5.97917892 -1.28546064 13.37284961
0.00000432 -0.00036920 0.00066093
28.07217846 2.76865203 -26.77734702
-0.00020072 -0.00014550 -0.00102670
26.61241804 1.52037386 -24.51479326
0.00058559 -0.00117814 -0.00028996
-18.38585038 -1.01288592 24.79273328
-0.00008885 -0.00071678 0.00120776
-20.83060274 -2.53095223 25.22542472
0.00062350 -0.00027041 0.00021075
3.55689786 8.65893987 4.56710654
-0.00010379 -0.00082407 -0.00028771
1.68476557 6.83448168 3.02662822
0.00070078 -0.00031829 0.00001174
-17.83029372 3.57193313 0.90101058
0.00022255 -0.00009904 0.00089682
-17.89470859 4.65405522 3.64174648
0.00043736 -0.00045213 0.00010020
22.79064401 4.22394425 -10.76120777
-0.00016744 0.00023873 -0.00064715
21.43081127 6.02549184 -12.74293137
-0.00062092 -0.00074031 0.00088453
-20.93180475 -9.02955699 15.80699838
-0.00040449 -0.00039753 -0.00002858
-18.61221143 -9.68063889 17.36196419
-0.00026761 0.00028551 -0.00049235
20.30865485 31.70721709 -17.09803372
-0.00031624 0.00074127 -0.00033649
23.21650516 31.44913426 -17.11485757
0.00010869 -0.00013284 0.00076482
36.41254005 3.46436965 -8.31373180
-0.00005586 0.00003583 -0.00049913
34.23131486 2.97326147 -6.65497867
-0.00048165 -0.00052093 0.00055502
20.35640832 -0.70673780 -16.39068844
-0.00031023 -0.00006327 -0.00028897
17.83884142 0.29535206 -15.24271778
-0.00057339 -0.00034479 -0.00027501
14.18459025 9.82405093 -4.22698073
-0.00043199 0.00035745 0.00054971
16.85094959 10.90813665 -4.18233071
0.00006366 0.00011576 0.00003973
-33.81586236 29.18806807 -20.15256961
-0.00017222 -0.00076063 0.00117279
-32.68094451 26.72989013 -18.91521227
-0.00039679 0.00057650 -0.00048239
8.36063542 -32.10427790 -1.71974612
-0.00086750 0.00060508 -0.00012187
6.93640212 -32.12451715 0.82598549
0.00037914 0.00040272 0.00013465