First atomset in SCAN330 file ../mddata/s0008/md038.r
16.21510804 18.79171899 7.05993400
-0.00010228 0.00019630 0.00002547
17.65827035 -0.77803651 -33.99106240
-0.00008699 0.00014446 0.00040351
-1.53103294 -15.92850147 15.66330783
-0.00001353 -0.00024272 -0.00003924
9.65081971 11.95651802 20.43897506
0.00013427 -0.00016101 0.00031674
16.36856439 6.29702319 11.72528482
-0.00016449 0.00011176 -0.00030947
-4.95141862 21.70004555 -4.37900577
0.00008089 0.00001646 0.00022250
-20.43273901 -8.38294560 -1.66494066
-0.00007999 -0.00022732 -0.00008889
-0.37674379 -15.10976486 -13.07696055
0.00024794 -0.00018005 0.00004407
29.93380100 -5.15179498 -11.29117160
0.00007993 0.00020182 -0.00007089
-9.61334499 9.05895340 -18.79631540
-0.00031347 -0.00001741 0.00005953
-4.72059103 7.54561189 -19.57052951
-0.00022146 -0.00013203 -0.00001450
0.82802962 3.13169826 4.74337554
0.00019072 0.00032678 0.00024557
19.34237652 -18.75662236 -15.36909508
0.00011899 -0.00037415 0.00012775
-19.71084519 -25.68764596 8.88698125
-0.00010230 -0.00031950 -0.00023209
12.74402696 23.79461363 17.19905649
0.00021072 0.00025328 -0.00006692
-5.99404312 -3.30803372 -22.93132474
-0.00021525 -0.00032136 -0.00012086
2.57837480 7.96522840 26.92121605
0.00013975 0.00015476 0.00004713
7.51787454 17.14208758 -27.15176215
0.00005167 -0.00056947 -0.00013066
-25.73019894 7.07750964 -1.10734686
-0.00018836 0.00008987 -0.00013954
-14.56551313 3.35597595 0.66972221
0.00014717 -0.00003852 -0.00016400
0.22469912 -2.95367722 -2.55326566
-0.00020160 0.00032984 0.00004081
14.69586694 10.49721231 9.66830651
0.00021793 0.00010954 -0.00006340
-26.55135029 -24.28543741 -19.06533156
-0.00001884 -0.00013147 0.00020499
-6.75634800 -9.04120239 -8.66295873
0.00002525 -0.00006728 -0.00032814
25.47109691 6.37064627 19.40094082
0.00034202 0.00014627 -0.00029073
-25.00491863 -0.38606868 9.15956936
0.00001258 0.00005059 -0.00019125
1.61118445 -4.53619794 2.15210569
-0.00002285 -0.00004123 0.00003855
-16.91170392 12.64093961 -14.42514683
0.00035306 0.00001148 0.00029581
3.93471933 -9.38473197 13.27124887
-0.00007694 0.00007873 0.00023166
-23.43108070 1.29637327 13.99764785
0.00026394 0.00005194 -0.00007374
0.85996113 -7.46671036 -29.54848338
-0.00000306 0.00033235 -0.00012696
11.10353624 -10.24889889 11.19594183
0.00002851 0.00010420 0.00000118
15.22000874 5.65034370 19.99268893
-0.00050761 0.00008150 0.00015653
-14.18486160 -9.24604117 4.58919531
-0.00001312 -0.00018655 -0.00009947
-1.55095681 -3.32452165 -8.46149730
0.00010067 -0.00022917 -0.00015420
-15.19132841 5.86410651 15.98297353
0.00005026 0.00002600 -0.00027799
-14.95186593 1.01656165 8.44296962
-0.00027996 -0.00010127 -0.00001023
-9.28729177 -11.22867964 0.59069024
0.00009229 -0.00009451 -0.00006131
20.62883942 -10.81542252 -6.20095377
-0.00009989 0.00016433 0.00016604
18.28158104 25.99776220 16.41957400
0.00023963 0.00023083 -0.00009600
28.07337892 -13.26599156 -0.95092595
-0.00008152 0.00000950 -0.00015010
27.52671284 0.00413935 25.66601205
-0.00006722 0.00005479 -0.00004227
-12.04820380 -4.47414799 -1.04881716
-0.00007555 0.00034660 0.00026722
-1.34450107 34.99954121 4.47223572
-0.00019736 -0.00018901 0.00040565
-0.78111848 -10.47830329 9.46764657
-0.00015301 -0.00042457 0.00001627
-9.47630728 16.49052263 -20.14228204
-0.00002030 0.00023416 -0.00014978
37.94344997 -28.61177571 -5.65835421
0.00060049 0.00032009 -0.00035712
3.36348599 4.22339942 9.23810868
-0.00028141 -0.00015738 -0.00017124
5.19967317 25.85168135 -9.69937754
0.00022735 -0.00003372 0.00009070
35.30043178 2.99573952 -10.48774350
-0.00018302 0.00005883 0.00023530
-8.93250567 9.18166664 -7.95031256
0.00002781 0.00027647 0.00000675
-13.17601882 -18.71751923 5.13898136
-0.00001337 0.00019992 0.00006266
-4.44496972 12.49128235 -1.38861359
-0.00017000 0.00034953 0.00006945
-28.72709036 -8.64229028 9.74147429
-0.00015235 -0.00036476 -0.00005122
2.64472055 -30.45631560 6.74506975
0.00006160 0.00048499 -0.00019895
13.03369188 0.51826464 -0.78193078
-0.00006438 -0.00006563 -0.00011738
-13.80946076 6.78297327 -2.72576295
-0.00003776 0.00017021 -0.00004277
-26.21342264 -7.62356616 -21.59927985
-0.00006684 -0.00032320 0.00001897
8.21924744 -11.89878649 15.34191121
0.00006611 -0.00016281 0.00008755
13.27103820 -1.97100731 9.87102517
0.00005407 -0.00012959 0.00040926
-40.66842866 -2.16700713 16.72206637
-0.00031264 -0.00017514 0.00025937
-35.21613508 17.95472182 13.04567517
-0.00003047 -0.00004309 -0.00030892
-16.88374546 -15.86178671 6.50353666
0.00003107 0.00033342 0.00008535
4.07633894 1.18359519 -3.09523162
0.00002983 -0.00018537 -0.00009610
17.84487339 19.43501505 6.73380508
0.00004509 0.00054250 -0.00000843
15.04030448 19.91664533 8.01930936
0.00013915 -0.00081923 0.00000359
16.09753304 -1.17691197 -34.78468327
0.00084987 0.00004352 0.00053849
18.46188730 -2.25033086 -33.24055877
0.00042324 0.00026413 -0.00066345
0.20347183 -16.14079817 16.49815669
0.00030396 -0.00007905 0.00017373
-1.17213984 -15.60260572 13.92700545
0.00065761 -0.00126803 0.00072201
9.11318791 10.27962551 20.82619625
-0.00082199 0.00006727 0.00029342
8.14663983 12.97621287 20.78023922
0.00040869 -0.00041452 -0.00130162
16.35282460 7.09623196 13.49254351
0.00035028 -0.00009294 -0.00000673
14.79222956 5.33061863 11.80162126
0.00017277 -0.00075441 0.00072160
-3.17915231 21.34329549 -4.47924478
-0.00053812 -0.00032389 -0.00111387
-5.00935845 23.41593343 -5.15243268
-0.00025648 0.00029770 -0.00048493
-20.37565145 -7.10593111 -0.28362511
-0.00075283 0.00021986 0.00049093
-19.77659156 -10.01390252 -1.15612736
0.00020618 0.00014962 -0.00039526
-0.84048602 -13.35634583 -13.34390512
-0.00033356 0.00000537 0.00033591
-1.64793703 -16.09439347 -14.01509185
-0.00038273 -0.00007843 0.00068725
28.74107155 -3.96063898 -12.17527796
0.00095025 0.00023639 -0.00011471
31.46438726 -5.14491086 -12.32229392
0.00026372 -0.00013471 -0.00047531
-9.84545161 10.14619973 -20.30144388
-0.00008838 0.00029745 0.00038727
-9.40942949 10.04309123 -17.28988642
-0.00016170 0.00025838 -0.00056677
-6.51300496 7.87572130 -19.11142162
-0.00049764 0.00000205 -0.00067561
-4.38549229 6.15594154 -18.14379412
-0.00035989 -0.00005225 0.00039322
1.62403355 2.92856274 6.41119850
-0.00023703 -0.00020379 -0.00058569
1.25128660 4.85111653 4.05722362
-0.00012821 0.00036642 -0.00063836
18.26663042 -18.31576722 -13.89109800
-0.00042083 -0.00006804 -0.00086620
20.16478290 -20.53766470 -14.96602304
-0.00019948 0.00040284 0.00010122
-18.44111678 -24.49400868 8.43514883
-0.00000174 0.00009431 -0.00014488
-21.47713596 -24.84542080 8.83703971
-0.00024934 0.00032615 -0.00078476
13.01262889 21.97373380 16.95699134
-0.00018672 -0.00022918 -0.00030568
13.36248820 24.20506163 18.88459677
0.00022465 0.00010226 -0.00078012
-5.49937965 -2.85201291 -24.80525729
0.00022130 -0.00024298 -0.00001967
-4.86147202 -4.67970948 -22.60096338
0.00008837 -0.00021380 0.00027980
3.79501108 8.09900438 28.25103850
-0.00016538 -0.00017902 -0.00039137
1.18769272 9.17767054 27.21273916
-0.00046586 0.00021947 -0.00083479
8.56983362 18.05713624 -25.94544759
0.00080080 -0.00064030 0.00004809
5.92618940 16.61485182 -26.28397225
-0.00015488 0.00004420 -0.00072893
-26.40182121 7.21463198 0.59141603
0.00066378 -0.00007559 -0.00021471
-26.19843486 8.78247328 -1.67102233
-0.00052004 -0.00056364 -0.00075162
-15.91047328 2.11643100 0.59937293
-0.00036228 -0.00044258 -0.00027373
-14.68590673 3.81164147 2.47473145
-0.00058847 0.00116599 -0.00026485
0.82506097 -4.54431547 -3.45153984
0.00075788 -0.00057260 0.00064867
0.24381506 -3.26105105 -0.79283416
-0.00065906 0.00001344 0.00057940
15.37538532 8.94934002 10.56795422
-0.00034047 -0.00123464 0.00074295
16.02504175 11.74575273 9.65308136
-0.00055274 -0.00036794 0.00011927
-27.57933122 -25.14173696 -20.44678441
0.00020445 -0.00019295 -0.00007014
-26.03725201 -22.67362313 -19.89036779
0.00061059 -0.00068161 0.00001620
-5.22557657 -9.85986435 -7.83401679
0.00016654 0.00006743 0.00117820
-7.57889520 -8.24088236 -7.26243275
-0.00071774 0.00043651 -0.00061692
24.07103838 6.45971725 20.74250163
-0.00013918 0.00027893 0.00094577
26.53325077 4.83580077 19.80972861
0.00016264 -0.00035520 0.00090488
-26.27754828 -0.87950988 10.46232788
-0.00000416 -0.00021819 0.00069032
-25.39515358 -1.25990942 7.50756817
0.00019089 -0.00068249 -0.00031399
2.67469820 -3.08379303 2.26710806
-0.00045399 -0.00026957 0.00037399
2.06953406 -5.40900304 3.69633326
-0.00030175 0.00021316 -0.00018769
-18.04306833 12.43987752 -12.88288660
-0.00175160 -0.00060484 0.00037530
-15.14910126 12.87137853 -13.50241985
0.00000226 -0.00001963 0.00043320
4.89380408 -7.91150975 12.69984808
-0.00040592 -0.00058017 -0.00025258
2.81906222 -8.56256626 14.63631090
0.00051122 0.00047027 0.00106972
-23.06606325 1.23315859 12.16856877
0.00044105 -0.00094381 0.00029015
-21.88700612 2.16108354 14.74532022
0.00044854 -0.00049295 -0.00094103
-0.48436897 -8.71651144 -29.55746502
-0.00034336 -0.00036042 0.00021488
1.66902793 -7.79373521 -27.92647914
0.00019461 -0.00029608 -0.00030774
10.22186759 -11.31106600 12.48488827
0.00023706 0.00001056 0.00027078
12.45718757 -11.47074992 10.52836235
0.00055485 -0.00029750 -0.00052131
16.66438113 6.63860422 20.39302025
0.00017801 -0.00019807 -0.00006039
15.96630897 4.34942501 18.98430933
-0.00012938 0.00072567 0.00074414
-13.69227028 -10.89146739 4.75894477
-0.00019760 -0.00037726 -0.00036853
-14.87099884 -8.83179768 6.19370229
-0.00017814 0.00009947 -0.00028806
-0.42472073 -4.72063277 -7.79356832
-0.00026920 -0.00091533 -0.00071707
-0.44417378 -1.88458931 -8.44683450
0.00003351 0.00020674 -0.00091792
-15.77251439 7.44772415 15.33569900
0.00075164 0.00023735 -0.00081928
-14.86031869 5.83488849 17.82117518
0.00076036 -0.00017521 -0.00035984
-14.33637855 2.05632515 9.84833619
-0.00007384 0.00006064 0.00013976
-14.30259320 1.94475380 6.91460064
0.00009126 -0.00014114 0.00044230
-10.56913339 -10.95338625 -0.63664937
0.00054049 -0.00020770 0.00103037
-9.24418025 -9.66362102 1.77308266
0.00082345 -0.00099984 0.00033393
19.78840478 -10.98714779 -4.58950032
0.00059165 0.00071908 -0.00014371
21.11579322 -12.53499726 -6.71871266
0.00012402 0.00047075 -0.00041910
19.46682676 27.25542626 15.74228043
0.00023029 -0.00015716 0.00081053
17.57582957 25.02137304 15.00334225
0.00000539 -0.00052277 0.00006709
27.57589222 -13.69450367 0.69988647
-0.00049778 -0.00029012 0.00023472
27.61097316 -14.57641152 -2.12652497
0.00054714 0.00114853 0.00052690
27.15022597 0.51016236 23.97957624
-0.00092164 0.00015270 -0.00015460
26.17047381 1.06751639 26.53002895
0.00090905 -0.00009109 0.00076220
-10.54143611 -4.67479563 0.06856759
-0.00004509 0.00043211 -0.00078099
-11.97494876 -2.57223432 -1.04993872
-0.00022133 -0.00057451 -0.00001900
-0.82919375 35.37012455 6.24420937
-0.00025787 -0.00008037 -0.00052758
-2.87261786 33.87032762 4.51759990
-0.00081813 -0.00009109 -0.00026818
0.48842592 -9.10905561 9.38006469
0.00017923 0.00055575 0.00037054
-2.43082479 -9.47235244 9.47207638
-0.00091660 0.00036438 0.00020820
-11.13058260 16.50485456 -19.38701060
0.00022457 0.00042711 -0.00013784
-8.29063621 17.54311707 -19.26852479
0.00011645 -0.00071920 0.00047699
39.58150246 -27.87583477 -5.43478026
0.00051812 -0.00024300 0.00015865
37.08012480 -28.36813878 -3.94809453
-0.00004045 0.00002185 -0.00016181
2.27335580 5.55220413 9.97324969
0.00069761 0.00014446 0.00066037
4.02371415 3.20582551 10.82754131
0.00026300 0.00050017 0.00102042
5.91701552 27.07509164 -8.46093880
0.00066800 -0.00108336 -0.00052598
5.64781669 24.15864035 -8.98662405
-0.00004899 0.00114115 -0.00059250
35.83874764 1.99248794 -8.96122484
-0.00001693 0.00033783 0.00014093
34.25479410 4.06519573 -9.49463400
-0.00014873 -0.00094926 -0.00001217
-9.03498163 8.49040770 -6.27377852
0.00048181 -0.00017417 0.00029737
-8.05556993 10.87813318 -7.93006398
-0.00088152 0.00046338 0.00020666
-11.60341523 -17.67180386 5.13762992
0.00027086 0.00060250 0.00086071
-14.34294178 -17.35362010 5.74563013
-0.00009604 -0.00020732 -0.00083835
-6.30099220 12.19959655 -0.73457039
0.00047709 0.00070077 0.00038337
-3.93394946 13.86282308 -0.21771197
-0.00067470 0.00031910 -0.00054360
-29.62292191 -7.38690389 8.70636834
0.00082061 -0.00035452 -0.00026411
-29.38939685 -8.28778909 11.52998825
0.00076140 -0.00011832 -0.00035338
3.28342781 -29.09252608 7.82144240
0.00007963 -0.00076293 0.00028754
3.95031707 -31.75538037 6.80628361
-0.00036071 0.00012836 -0.00007783
14.55475100 0.44276781 0.37017501
0.00048764 0.00001298 0.00023147
12.02317260 1.74362457 -0.04634630
0.00069522 0.00069155 0.00005347
-14.08002200 5.55352964 -1.34589741
-0.00090898 0.00013250 0.00050438
-12.02244953 6.84432434 -3.11743049
-0.00052803 0.00012484 -0.00027111
-24.67066216 -6.78997270 -21.32214741
0.00004378 0.00104601 -0.00069511
-26.00062464 -9.05886151 -20.46970589
-0.00008568 0.00047728 0.00116070
6.88284879 -10.52979055 14.94436074
0.00093984 -0.00001389 -0.00041529
8.98788485 -11.71006513 17.15023152
-0.00000155 0.00066470 0.00047483
12.35988370 -3.10322943 11.10391320
0.00040226 0.00004940 0.00014574
12.05640956 -0.68142060 9.34951429
0.00039213 0.00112478 -0.00023966
-39.80293461 -3.11045616 15.40588715
0.00040974 -0.00014034 0.00067731
-40.29609675 -3.27125685 18.23509710
0.00030071 0.00049243 0.00023029
-35.15020444 16.12545338 12.68551981
-0.00023518 -0.00067680 -0.00002609
-34.52059734 18.31561383 14.75296990
0.00044340 0.00075604 -0.00003828
-16.76218866 -14.28893497 7.56502632
-0.00123667 0.00094496 0.00066015
-17.48599876 -17.28638720 7.50163413
-0.00022376 0.00002918 0.00066524
2.38976109 0.52518069 -3.26921844
-0.00018031 -0.00059045 0.00055080
4.97046294 0.07657525 -4.21384677
0.00034564 -0.00007852 -0.00036643