First atomset in SCAN330 file ../mddata/s0000/md016.r
-8.15609490 6.97487761 13.43312746
0.00014736 -0.00038232 0.00031873
20.50465571 3.70624458 27.78229034
-0.00034066 0.00022604 0.00008847
-29.25665883 25.58524228 -34.71983484
0.00008475 0.00016395 -0.00003655
15.65910045 -9.35388071 -3.01922666
-0.00003936 0.00011289 0.00008146
6.59058482 -20.00536817 -4.75642571
0.00005564 -0.00006809 -0.00002391
10.78403389 12.49391759 0.86467284
-0.00001291 0.00014887 0.00038338
-2.58312665 -27.69741118 -19.26659853
0.00030423 0.00009277 -0.00008728
3.41557216 -16.19139682 10.03010793
-0.00025215 0.00021201 -0.00030390
3.68848851 6.86031666 -8.09103663
0.00007495 0.00037936 0.00028899
0.59748233 11.11953783 7.90551961
0.00002987 0.00020216 0.00022914
14.26953358 -13.42166848 8.97901445
0.00019474 0.00025521 -0.00028826
-15.50259389 -6.37834233 9.15010104
0.00001281 -0.00026777 -0.00016796
3.61768088 -9.50194245 -21.55491467
0.00025429 -0.00028944 0.00016781
-6.57444204 -4.65489224 -5.18503268
0.00001910 -0.00013426 -0.00010286
14.38214072 -13.89169766 -0.50089138
-0.00009851 -0.00037578 -0.00020718
-4.41636299 10.79165325 -7.08952300
-0.00003384 -0.00007936 0.00020999
-12.70984158 -15.11290179 -30.21032130
-0.00013958 -0.00028238 0.00008887
-18.17079896 -0.16989986 14.77971190
-0.00007517 -0.00019676 -0.00005735
6.77586953 -14.27307953 -1.86023626
-0.00021559 0.00005475 -0.00022447
5.35989479 19.78256684 -26.77877405
-0.00014887 -0.00019698 0.00004877
3.30286945 1.59892580 9.77798997
-0.00022958 0.00010436 -0.00010465
-6.92604157 -6.60523857 1.36659725
0.00009947 0.00009571 0.00002569
-13.34034127 -11.11015839 6.35890339
0.00005022 0.00013407 -0.00006890
19.12186484 -11.99864243 1.67655986
0.00007772 -0.00001803 -0.00028513
22.58680339 16.04779364 0.12233290
0.00019432 -0.00025516 -0.00003980
7.59900807 16.05331472 -30.45068079
0.00019884 -0.00002896 0.00021765
12.26145703 -22.53085058 -12.02223547
0.00030880 -0.00010526 -0.00010894
10.52125735 5.01205914 -15.07252301
0.00001673 0.00008286 -0.00019119
-1.47667795 7.12472132 -5.57609558
0.00013445 0.00001722 0.00017259
-11.19843595 -3.81785032 24.27871131
-0.00006066 -0.00001968 -0.00002727
2.17176173 2.80414993 -0.99438691
-0.00020655 0.00002270 0.00000663
24.82461395 -0.60954549 -5.05347016
0.00003465 0.00010450 -0.00031954
-2.52732815 23.45196637 8.87548892
-0.00018294 -0.00007702 -0.00007798
-12.62583514 -1.57096172 15.55126546
0.00012675 -0.00013054 -0.00044018
7.05372407 -2.44634324 -18.50570572
-0.00004513 -0.00014223 0.00004053
7.76398413 8.12911022 -42.72075782
-0.00022083 -0.00051804 -0.00010580
-12.08022535 -2.31900973 7.29813024
-0.00007473 -0.00013625 0.00003770
4.62427038 11.85435937 17.71294556
0.00014773 -0.00036335 -0.00001340
8.14717718 8.35996965 -11.88645311
0.00003294 0.00032492 0.00015040
-14.07119034 -10.23143901 12.26291399
0.00004598 -0.00005372 0.00019703
12.98344424 0.02804241 -3.19401816
-0.00009116 -0.00008620 -0.00017892
-10.92798015 17.34838389 13.00254567
0.00004987 0.00019145 -0.00005182
-5.58616423 -7.62194333 -9.87050959
0.00023582 -0.00029279 0.00015105
-9.47899551 -11.48409540 14.30198690
-0.00006477 0.00048513 -0.00012390
-9.35932766 24.57932122 3.89312694
0.00002201 0.00021265 0.00024059
13.94294053 -7.05119381 -15.65537267
-0.00027795 -0.00032875 -0.00035645
-4.74900427 -0.58677169 2.07238895
-0.00029807 0.00002707 0.00011936
-21.12212148 -18.38570032 -18.16312127
-0.00012415 0.00013694 0.00010513
-39.34246702 -5.76715846 -22.22833787
-0.00003252 -0.00002927 -0.00010500
34.22798250 15.98150592 -2.92967309
0.00005554 0.00015202 0.00036702
11.21727081 4.68325880 -3.46888638
0.00024171 0.00014001 -0.00000442
-2.92010389 2.13265319 16.33585787
-0.00000318 0.00022172 -0.00028071
23.02661222 -9.27460459 -8.19670206
0.00016389 0.00020455 0.00008783
1.06016857 -7.49286128 10.80970513
0.00008225 -0.00011738 -0.00021158
18.08597162 -0.40499833 -3.20131373
-0.00041827 0.00032734 -0.00004324
22.14528938 -6.24760829 18.89331334
0.00019554 -0.00013111 0.00021680
3.03295438 32.04526074 -21.87505932
-0.00007454 -0.00045727 -0.00005175
6.80750378 2.48450789 -17.49876142
0.00000813 0.00014384 -0.00021628
-1.38832712 -16.19530959 -22.82796042
0.00014667 -0.00007834 0.00011199
-28.31920010 -12.15586839 6.79961416
-0.00009152 -0.00001276 0.00001707
-7.20465898 4.82761181 -15.90251992
-0.00009034 -0.00009423 0.00013726
-4.43837815 -7.18987575 31.67336283
0.00000977 0.00012502 0.00012653
-20.02244256 -6.22526346 29.91285428
0.00010624 -0.00002729 -0.00028145
11.15700201 5.76822115 24.85833382
-0.00008921 0.00029561 -0.00004465
-7.30616964 5.65121595 12.46903985
0.00034054 0.00049079 0.00158504
-9.82784686 6.35482486 14.04355031
0.00075530 0.00030185 0.00025020
22.33330445 3.38853775 27.87331178
-0.00027116 0.00076162 0.00015934
19.84078830 2.28843090 26.78950290
0.00000868 -0.00018397 0.00091172
-28.31311792 25.62801685 -33.13963685
0.00018253 -0.00040699 -0.00046857
-28.03284787 24.90941409 -36.01845751
0.00017844 0.00013823 -0.00055340
16.24611776 -11.13358787 -3.10011591
0.00040343 -0.00035789 -0.00012009
13.87528094 -9.47090660 -2.65499039
-0.00001714 -0.00054259 -0.00029804
5.57858840 -18.65391631 -5.65413436
0.00022249 -0.00031204 -0.00066994
6.29640183 -21.34379261 -6.10844646
0.00027632 0.00130763 -0.00065500
10.25784021 12.91847730 2.54557338
0.00075571 -0.00029863 0.00007460
10.61599251 14.15153138 -0.18296186
0.00014596 0.00009583 -0.00084133
-3.52525202 -26.58067983 -20.47314368
-0.00013755 -0.00000332 0.00051284
-1.61550818 -28.73331313 -20.42475893
0.00079888 0.00051630 0.00076719
2.44877019 -14.69657400 9.32856040
0.00004859 0.00035141 -0.00017922
5.12409510 -15.41846678 10.64427518
-0.00008755 -0.00037898 0.00035260
3.28203910 6.90039903 -9.96817259
0.00068317 -0.00035628 0.00059906
1.95345486 7.00788847 -7.23960628
0.00019050 0.00020640 -0.00035403
-1.11409207 10.76158385 7.18778902
-0.00018206 0.00018800 0.00036228
-0.11667701 12.50627072 8.96458948
0.00023804 -0.00011639 -0.00001333
14.29175383 -15.19313717 8.34475166
-0.00041917 0.00004646 -0.00019282
14.53969892 -13.34971164 10.79772394
0.00120975 -0.00013090 0.00004017
-16.91489384 -6.34393610 7.94124414
0.00105340 -0.00010596 0.00016059
-14.48758448 -4.93506905 8.94262675
-0.00050156 0.00072321 -0.00059160
2.09495642 -8.52431986 -21.96616160
0.00166090 0.00021140 0.00018054
5.05630298 -8.77430103 -22.44876555
-0.00075260 0.00009166 0.00035512
-7.21348573 -6.27569663 -4.58785688
0.00060417 -0.00011869 0.00042615
-4.69411041 -4.65814398 -5.06098821
-0.00069918 0.00024440 -0.00020810
13.85358662 -15.42725274 0.44794772
-0.00084953 -0.00028819 0.00005442
13.18749267 -12.62231138 0.33066929
0.00042899 0.00063810 0.00035310
-3.87301203 12.44839991 -7.69450439
-0.00058460 -0.00011776 0.00000587
-4.76513784 9.85524553 -8.66765305
0.00144448 0.00019733 0.00047172
-13.51999063 -13.83194472 -29.03357026
-0.00002278 0.00110820 -0.00071294
-12.04510249 -16.43722120 -28.92437689
-0.00089783 0.00040980 0.00030230
-18.12378570 0.65490810 13.06576542
-0.00015482 -0.00044185 0.00009513
-16.64692428 -1.29386012 14.71804475
0.00013296 0.00000277 -0.00006830
5.37120022 -14.82149204 -0.80939229
-0.00014971 -0.00002947 0.00101486
7.98027169 -13.67807216 -0.59840864
-0.00020057 -0.00047337 0.00117872
4.70894131 21.36172039 -27.36651143
-0.00043033 0.00105275 0.00028439
5.86857938 18.78993479 -28.34708952
-0.00076539 0.00007270 0.00070571
4.50012631 1.73264203 8.43022616
0.00034594 0.00011796 0.00015137
2.99104068 3.27980415 10.31524849
0.00043704 0.00030975 0.00026106
-5.79276096 -6.80535010 2.67163453
0.00063365 0.00016220 0.00032728
-6.33771653 -7.93473175 0.08461595
0.00022893 -0.00069501 -0.00004622
-12.51935198 -11.98463629 7.85959014
-0.00126541 0.00004318 -0.00075192
-14.50623611 -9.94483581 7.04308748
0.00021255 -0.00052846 0.00001899
17.38603300 -12.53248921 1.28211366
-0.00063276 0.00028444 0.00024603
19.15716472 -12.00752124 3.49481711
0.00039352 -0.00019188 -0.00059311
21.77035281 14.44376540 0.42921420
0.00048814 -0.00008311 0.00070054
22.23427398 16.56029393 -1.67145095
-0.00044456 -0.00024842 0.00004992
8.61166802 15.41229090 -31.77337820
0.00005075 0.00032761 0.00039651
6.25538817 14.75054538 -30.39316848
-0.00024698 0.00110424 -0.00080832
14.07910271 -22.63468272 -11.86503170
-0.00007479 0.00020325 0.00106320
12.11916780 -23.59727130 -13.64117924
-0.00026097 -0.00008565 0.00000303
11.38703956 4.01480819 -13.82334424
0.00056941 0.00012147 0.00020392
9.82397864 6.38694642 -13.94371780
0.00018789 -0.00028084 0.00070562
-1.12608570 7.24610823 -3.82919827
0.00011892 -0.00090055 -0.00046474
-2.23608446 8.73206093 -6.22011081
-0.00005661 0.00061709 0.00056214
-9.55305865 -4.61620926 24.19775075
-0.00052381 0.00002862 0.00079485
-11.06882560 -2.15828385 23.39250409
-0.00044842 -0.00018667 0.00107874
3.66865964 3.00181227 -2.09284783
0.00011954 0.00059011 0.00001139
1.32725696 4.35356117 -0.95310828
0.00077916 0.00031023 -0.00081186
24.74422737 0.51680448 -3.57837714
-0.00064180 0.00102118 0.00038323
26.10191144 0.07866548 -6.27123632
-0.00038505 0.00067497 0.00047057
-2.42990157 21.86951370 7.90162075
-0.00001154 0.00013794 0.00071847
-0.77379118 23.64758667 9.18602142
-0.00067807 -0.00008666 0.00044923
-11.70960485 -0.92764566 17.13406515
-0.00064067 0.00040735 0.00000181
-11.97723832 -0.54213644 14.13480208
-0.00039671 0.00081778 0.00023375
6.69719434 -0.61353103 -18.45407449
0.00032031 0.00073960 0.00021936
6.73200107 -3.17772597 -20.14623664
-0.00031704 0.00105774 -0.00028973
6.15759638 8.80726807 -43.00849942
-0.00084793 -0.00019581 -0.00013215
8.79990543 9.55451555 -42.07303611
0.00006533 0.00089685 0.00007442
-10.88045057 -3.70078688 6.83141418
-0.00095694 0.00030695 -0.00010685
-13.61259878 -2.49411777 6.12747155
-0.00005835 0.00034935 -0.00090994
5.63123411 11.03778379 19.18350818
0.00056811 0.00037838 0.00015447
3.91570952 10.32652255 16.97861736
0.00118724 -0.00010742 -0.00021000
8.95832760 7.82075556 -10.26372043
0.00025653 0.00097001 -0.00153783
8.51002490 10.08839663 -11.82196904
-0.00026314 -0.00010001 0.00014648
-14.36607739 -8.64606393 11.30790555
0.00065302 -0.00004479 -0.00025447
-12.44785270 -10.11116986 13.12342252
0.00009537 0.00062079 -0.00095799
14.83181935 -0.14153415 -3.20893374
-0.00039078 0.00095726 -0.00002111
12.54403932 2.00826190 -3.20435783
-0.00024759 0.00079611 0.00108264
-9.25033122 16.70105674 13.51086784
-0.00156118 0.00037641 -0.00023360
-11.05601879 18.99943681 13.85754879
0.00031629 -0.00034775 0.00018956
-4.99165150 -7.19276394 -11.65825019
0.00020494 -0.00084769 0.00000228
-5.02046087 -6.27666079 -8.69652335
0.00025429 -0.00072920 -0.00091263
-9.94128320 -12.94302040 15.36226705
0.00052664 -0.00014733 0.00068241
-7.62780999 -11.23319965 14.52817867
0.00020698 -0.00071698 -0.00004016
-10.38966230 23.21472650 4.81264470
0.00059033 -0.00055817 -0.00024212
-8.65035052 25.83902962 5.05285050
-0.00000513 -0.00024826 0.00137847
13.38202485 -6.89729642 -13.91480514
-0.00003268 0.00054250 -0.00025697
12.71777992 -8.12516507 -16.38150305
0.00063427 0.00005431 0.00046462
-5.17685027 -0.28179614 0.22234963
0.00065165 0.00013231 -0.00045771
-6.42856322 0.06564864 2.90233139
0.00014014 -0.00125884 -0.00012209
-21.25787547 -16.84546293 -19.13142664
0.00014965 -0.00092110 -0.00031336
-20.62081439 -17.79160467 -16.50108368
-0.00078716 0.00003589 0.00000498
-40.00581397 -5.12329624 -23.70531506
0.00026759 0.00001024 -0.00015580
-37.55794168 -5.46105432 -22.41998864
0.00009779 -0.00101222 -0.00071327
34.76577951 17.75078223 -2.65350101
-0.00126022 -0.00072572 0.00018698
32.96600226 16.03634355 -4.33306665
0.00001581 -0.00023759 0.00039976
9.37956177 4.32214886 -3.69215229
-0.00084531 -0.00108563 0.00004441
11.28438543 5.28805344 -1.76972343
0.00037770 -0.00053664 -0.00032389
-2.50831901 3.80110484 17.01996793
-0.00039964 -0.00066201 -0.00036186
-1.36114312 1.15191323 16.64898743
0.00009946 -0.00053029 -0.00031130
24.06717632 -10.75402900 -7.90936860
-0.00054824 -0.00004426 0.00055435
23.90406993 -8.41856220 -9.63013128
0.00014090 -0.00061859 -0.00029020
2.14915914 -6.69086297 9.59691021
0.00004492 -0.00060197 0.00031373
-0.58789706 -6.84638994 10.47530912
-0.00098715 0.00031087 0.00007953
17.19730942 -1.92121401 -3.79256142
0.00003395 -0.00018807 -0.00054221
18.79581474 0.61415660 -4.52858263
0.00002198 -0.00037749 0.00021258
23.58515390 -5.16525263 18.66962529
-0.00008801 -0.00044874 -0.00042455
22.63411120 -7.68951209 17.73123732
0.00003696 0.00070719 -0.00006214
3.27472304 33.83097692 -21.78930298
-0.00011283 0.00070179 0.00006390
1.25613284 31.77681688 -22.57580967
0.00008871 -0.00077893 -0.00036672
8.10372111 3.77784729 -16.71013883
0.00024144 -0.00061059 -0.00008302
5.63870295 3.57380380 -18.30736603
-0.00061329 0.00069064 -0.00034866
-2.46176850 -14.64438141 -22.54232729
-0.00031905 0.00089275 0.00171420
-1.54432799 -17.37437101 -21.47069368
-0.00075235 0.00034129 -0.00057737
-29.75172398 -12.97532877 7.58974864
-0.00030501 -0.00069298 -0.00033504
-28.47644478 -10.32069856 7.16691538
0.00017744 0.00016229 -0.00005408
-5.48317139 5.05836991 -16.63343025
0.00033411 -0.00017065 -0.00001279
-6.89828635 4.15008245 -14.17809089
-0.00040688 -0.00005620 0.00010086
-6.18433998 -6.99995714 31.37933240
-0.00045833 -0.00040095 0.00051130
-3.40092919 -6.01741416 30.46980478
0.00068116 0.00001691 -0.00020326
-19.97288138 -7.52578956 28.60506740
0.00088916 -0.00055365 -0.00012130
-18.81231805 -4.96374959 29.27960902
0.00010920 -0.00069478 -0.00010843
9.87484541 6.94658252 25.68316020
-0.00029769 0.00004875 -0.00006148
11.20401662 4.24923994 26.05459634
0.00043346 -0.00032013 -0.00041684