First atomset in SCAN330 file ../mddata/s0010/md017.r
-8.78388562 -4.82636654 11.43455410
-0.00000838 0.00006012 0.00001352
26.48469486 -2.91405293 0.41498405
-0.00002366 -0.00005402 0.00004583
7.64675335 -1.12366792 9.94822478
-0.00010987 -0.00009760 -0.00013081
-0.44401421 15.54162909 -12.37323315
0.00023416 -0.00033704 0.00004950
7.34753126 8.14724165 -8.97543651
-0.00024588 0.00001179 -0.00003249
-15.96119283 5.77680957 -1.06467143
-0.00017310 -0.00015814 0.00010932
-7.77386161 0.68204359 12.98904945
-0.00016177 -0.00003619 -0.00023757
-4.63730751 -0.07999793 9.36731105
0.00006706 0.00003577 0.00005681
-4.70304798 9.35625091 -8.25408190
-0.00025773 -0.00017668 -0.00008646
1.16803936 -10.31542110 27.89452304
-0.00005121 0.00011547 -0.00002519
11.72180236 5.96007809 6.83382019
0.00010292 0.00013341 0.00012808
-30.97468336 -6.57934824 21.26652183
0.00013455 -0.00010492 0.00014004
-4.53481412 -6.14032242 9.03932591
0.00010762 -0.00032365 -0.00001531
-18.27356073 6.04430652 -19.97425866
-0.00010523 -0.00000939 -0.00006340
-28.73978519 2.09060686 -0.40013340
-0.00021985 -0.00009021 0.00031412
15.29240008 6.32831665 -5.64730436
-0.00001060 -0.00015029 0.00036609
5.70546379 1.35830469 -1.56458398
-0.00005039 0.00004825 0.00001234
6.25569924 -10.18993172 12.63726438
0.00021284 -0.00004132 -0.00015338
0.68117823 9.87446987 -11.70763988
-0.00001669 -0.00005390 0.00042369
-4.09861260 2.26119332 4.89318976
0.00023393 0.00013018 -0.00018330
14.58620349 13.07735773 3.17942095
-0.00012551 0.00009601 -0.00006592
35.01304334 -33.05413427 11.52587815
0.00006395 0.00004512 -0.00032512
24.67518637 -14.76076582 2.25616352
-0.00007823 -0.00018129 0.00004553
16.65646308 -11.15458426 -12.52494902
-0.00022398 -0.00006413 -0.00025986
3.79193604 14.93164279 8.60970336
-0.00033382 -0.00004811 0.00004836
-27.92309181 -5.49205004 -19.38742224
0.00000030 0.00001822 0.00007278
-2.96294224 -10.85694415 -3.11596875
-0.00022709 -0.00004258 0.00011424
-11.59981263 11.62318410 -28.37400321
0.00004216 0.00038955 -0.00024268
-12.77498439 13.15381661 29.64093396
0.00018550 -0.00001103 -0.00010063
2.50503364 15.42999923 -23.39898584
0.00008480 0.00008411 0.00007744
-11.02674177 -13.94962429 13.66763802
-0.00007686 -0.00023670 0.00003919
7.70821372 -7.28490192 2.29487101
-0.00007415 0.00007495 -0.00033656
22.73844922 -1.52060129 -19.03434530
-0.00000695 -0.00017956 -0.00009340
-6.20258313 1.25200273 17.74620912
-0.00012954 0.00029566 -0.00002728
4.84534005 -7.37808048 17.41853105
-0.00021964 -0.00009041 0.00005572
-2.14783383 -4.03575156 -6.85678473
0.00036049 0.00006909 0.00024268
-0.87282176 22.56415565 -2.70097156
0.00008717 0.00014803 0.00025749
4.76835593 6.98307530 10.29354736
0.00004044 0.00032511 -0.00026998
-11.41598433 -2.68910882 7.59709664
-0.00032857 -0.00022856 -0.00028467
-7.71655309 -4.64408666 16.63483676
0.00021974 0.00013837 0.00006568
-2.83985028 -17.20023399 -13.78177586
0.00025470 0.00002874 -0.00003063
6.13454323 20.95792028 14.83704116
0.00025690 0.00004814 -0.00007086
-27.16661369 -10.46909640 2.42399695
0.00005346 -0.00007728 0.00000021
8.93386944 -1.49198642 -4.33567424
-0.00012406 -0.00005792 -0.00037161
-14.08552856 -6.77353167 -3.03675478
0.00018939 -0.00010725 0.00018608
0.06523165 1.09353851 10.41332231
0.00035342 0.00011932 -0.00038759
13.20065176 -1.06627881 -0.21276811
0.00005176 0.00001915 0.00035556
-12.02387384 -16.48980857 -21.76270799
0.00004036 -0.00019482 0.00015529
1.40350338 26.30189826 -4.60865131
-0.00017662 0.00039795 0.00001132
0.57489589 31.34781368 -5.97359800
-0.00015920 0.00014069 -0.00010710
7.56308728 -1.94395120 2.86684005
0.00023456 -0.00005714 0.00024404
-8.58604519 -17.52742151 11.16625725
-0.00008793 0.00019734 -0.00007772
19.93039733 -15.80068678 4.89607293
0.00030025 0.00017857 -0.00000184
-16.38006915 -13.72658253 -27.36971066
-0.00011777 -0.00007658 -0.00007352
1.32744122 -0.42482899 14.97006071
-0.00013551 -0.00000279 0.00002720
4.39768223 2.72420692 7.70953531
-0.00004295 0.00023406 -0.00011691
-11.84381859 1.36980427 4.37595161
0.00002634 0.00007114 0.00033092
7.83583952 8.92359670 7.35775110
-0.00000017 0.00017062 -0.00023886
-8.32614575 9.70520230 -0.84138378
0.00017946 -0.00026444 -0.00010297
-0.33771472 -8.61576844 -7.43409103
0.00007787 -0.00006011 -0.00001630
19.70410979 -16.40259117 -1.55079356
-0.00000052 -0.00008661 0.00028608
4.16268613 -3.55191245 6.84892176
-0.00008103 -0.00008329 -0.00017094
-20.89837649 -12.40890732 21.15503770
-0.00000772 0.00026673 0.00006631
13.37655987 17.91252270 3.25754159
-0.00009217 0.00006060 0.00015475
-6.99703807 -5.21102745 10.92838011
-0.00004252 -0.00024911 -0.00024205
-8.88160880 -3.25829441 12.39226739
0.00019503 0.00042061 0.00091578
25.41606223 -2.21178779 -0.83538832
-0.00013352 0.00068114 0.00021902
28.06679073 -2.06554856 0.24118613
0.00083838 -0.00002733 0.00109705
9.41381059 -1.38977911 9.48883317
-0.00105928 0.00046055 0.00007524
7.44896176 -1.74813301 11.68099109
0.00012107 -0.00061404 -0.00024282
-0.47663046 15.21502487 -10.45060179
-0.00028767 0.00088479 0.00001486
1.32811698 15.70096427 -13.03561961
0.00001424 -0.00011591 0.00083012
9.14034007 8.52386607 -9.36435503
0.00022544 0.00007420 -0.00112416
6.80930195 7.00984281 -10.38796240
-0.00061700 -0.00051706 0.00071081
-14.24919556 5.65101550 -0.26466242
0.00036900 -0.00046030 0.00001075
-16.84244767 4.18059513 -1.37578146
-0.00004445 -0.00047237 0.00021615
-6.94188436 0.71130435 14.74767959
-0.00057744 0.00048456 -0.00028637
-8.47082325 2.39245121 13.17595352
-0.00061374 -0.00021991 -0.00072313
-5.92757997 0.15098235 10.82770759
-0.00036684 -0.00033836 0.00031732
-4.70649531 -1.81509757 9.08970625
-0.00040962 -0.00052507 -0.00016734
-3.28587635 8.21978686 -8.75998916
-0.00039639 0.00076862 -0.00054056
-5.30867214 9.87598593 -9.87627872
-0.00033727 0.00058821 0.00011433
1.98017996 -9.91059378 29.46701756
0.00004741 0.00084666 -0.00009778
1.52602434 -12.08932456 27.55114765
0.00093245 0.00002614 0.00108996
12.90700549 5.88924646 8.27356993
-0.00049103 0.00097777 -0.00005758
10.19147366 6.87693879 7.49903651
-0.00086513 0.00010626 0.00000488
-30.31868261 -8.29302110 21.39839193
-0.00024571 0.00091641 0.00048913
-30.43348205 -5.79169868 22.88080544
0.00061841 0.00025301 0.00041265
-2.91339000 -6.80825228 9.87584307
0.00045773 0.00003287 0.00021635
-4.46003208 -6.27962354 7.13213795
0.00026293 -0.00088039 0.00005772
-17.30667554 6.21341524 -21.55848746
0.00120428 0.00032749 -0.00021768
-17.68430917 4.39160300 -19.57479357
0.00024702 0.00042363 -0.00046824
-30.40652646 1.32289533 -0.48489039
-0.00008646 0.00085645 0.00105182
-28.04646625 1.81196837 1.35843691
-0.00073931 0.00041319 0.00008194
16.40955910 7.70134778 -6.19633160
-0.00046566 0.00040179 0.00031675
13.83278189 6.93339418 -4.71355975
-0.00057494 -0.00019199 0.00022098
4.07268468 1.52098081 -2.43662116
-0.00013985 -0.00075153 0.00036334
6.95217604 0.27554187 -2.49269826
0.00006458 -0.00078804 -0.00018334
6.22048986 -11.96902366 13.01592940
-0.00001945 0.00087825 -0.00015590
8.03239307 -9.90149451 12.02434271
-0.00014937 -0.00066789 0.00100557
-0.81997232 9.10804031 -12.45627633
0.00013116 0.00028388 -0.00081864
0.71682496 11.65312067 -11.93553823
0.00041598 0.00007220 -0.00079558
-4.14451295 4.01358773 5.10628890
0.00017010 -0.00014583 -0.00046073
-4.57795443 1.35820102 6.57921712
0.00051284 0.00054318 -0.00052187
14.49660075 14.88813363 2.70244601
-0.00001249 0.00058182 -0.00100043
16.43267398 13.02279201 3.46610072
0.00017320 0.00046700 -0.00022269
34.83280631 -33.66035696 9.87079442
-0.00019580 -0.00062286 0.00005534
35.82593937 -31.40797150 11.45215260
-0.00041580 -0.00078082 0.00080654
25.12237407 -14.41706454 0.48439692
0.00069404 0.00020350 -0.00111392
26.02141781 -15.90547068 3.10652960
-0.00022211 0.00022227 -0.00080110
17.11892645 -9.61027296 -13.25349389
0.00007631 0.00015198 -0.00000385
14.68232871 -11.23284094 -12.45103278
0.00007306 0.00002207 -0.00013080
4.42962173 16.58494414 8.11948386
-0.00037372 0.00002560 -0.00038718
4.70986685 14.01951866 9.92740638
0.00085207 0.00064980 0.00000430
-27.81129288 -6.86870286 -20.68673622
-0.00016502 -0.00032245 -0.00092721
-26.71216823 -4.09615146 -19.55982252
0.00002446 0.00000309 0.00011075
-2.46789421 -9.74464393 -4.55311376
0.00028112 -0.00020553 -0.00060442
-3.02753501 -12.49318424 -3.90157820
0.00026613 -0.00030557 -0.00013167
-13.02907583 11.36319669 -27.27947231
-0.00030385 0.00003917 -0.00026881
-10.18139609 11.62109611 -27.25868158
-0.00006340 0.00076354 -0.00040594
-13.71856410 14.43607702 28.63614916
0.00050552 -0.00028211 -0.00044757
-11.12871765 12.82123114 28.62986013
0.00027919 -0.00008823 -0.00039415
1.99750515 14.92328842 -21.70447054
-0.00055183 -0.00020280 0.00019422
2.66922480 17.26237348 -23.47446268
-0.00038407 -0.00066221 -0.00027863
-11.56500012 -12.14825602 13.42485111
0.00000446 0.00124666 -0.00021672
-10.47756607 -13.96333469 15.44846020
-0.00027803 -0.00019250 0.00036745
5.90944837 -7.84987006 1.72041971
0.00101367 0.00087009 -0.00051617
7.39429067 -5.50447784 2.49189635
0.00080614 -0.00050265 0.00020064
22.04694735 0.26258839 -18.84541070
0.00021377 -0.00023501 -0.00067584
24.13838302 -1.49931234 -20.20519363
-0.00000397 -0.00142087 0.00049094
-7.03166745 2.83769039 18.24229401
0.00036487 0.00049946 -0.00016098
-4.41976550 1.56847767 18.33160196
0.00001318 -0.00053573 0.00006003
5.96114730 -7.79115977 18.79693391
-0.00006271 0.00064423 -0.00029856
5.13640547 -8.64582322 16.06884580
0.00021273 -0.00030096 0.00023467
-4.03908719 -3.95211539 -6.96147127
-0.00083379 0.00022433 0.00043991
-1.54726394 -3.27623299 -5.14827072
-0.00069062 -0.00055165 0.00004322
-2.49763934 22.79016846 -1.91424416
0.00070144 0.00031342 -0.00036937
-0.26378494 24.34027359 -3.17726648
0.00028340 0.00028534 0.00014360
5.56581876 8.30520290 9.30053173
-0.00067927 -0.00020219 -0.00004371
3.11895795 7.81353810 11.09585058
0.00003806 0.00100416 -0.00027060
-10.29618467 -3.65314679 8.87203658
-0.00060154 0.00002091 0.00000654
-11.91175725 -4.05279970 6.41192712
-0.00045832 -0.00018111 -0.00032634
-7.69053900 -5.21080952 18.54621200
-0.00097331 -0.00052110 -0.00031318
-7.90215216 -6.34289279 15.85064436
0.00053387 -0.00006298 0.00061505
-2.29438179 -18.87570504 -13.73554310
-0.00035094 -0.00099924 0.00000829
-3.27670041 -16.62959837 -15.49114684
-0.00040149 -0.00069100 0.00087762
4.44465975 21.59449567 15.24234699
-0.00022785 0.00063134 -0.00026627
6.08055329 19.39469788 15.79253248
-0.00045661 -0.00037951 -0.00037044
-25.59108221 -10.32529993 3.50763379
-0.00077579 -0.00021348 -0.00016899
-26.50507268 -10.68187687 0.74237325
0.00025476 0.00035740 0.00001524
8.15444219 -1.14608846 -6.06535149
0.00097804 -0.00072057 -0.00049323
8.92952315 -3.24940687 -4.17394895
-0.00078822 0.00031587 0.00051867
-14.85178889 -6.60328612 -1.22372767
-0.00009515 -0.00009221 0.00070479
-12.90698672 -8.14692804 -2.79514605
0.00058609 0.00011688 0.00094747
-1.62164439 0.38644248 9.61849486
0.00039162 -0.00059526 0.00069589
1.19836530 1.39578427 8.99990204
0.00014325 -0.00014801 -0.00000528
12.04279023 0.00780146 0.78666391
0.00017704 -0.00012623 -0.00042029
12.39174800 -1.40071620 -1.79430343
-0.00014157 0.00137518 0.00101661
-11.65040203 -17.04875274 -20.01856123
0.00025126 -0.00052826 0.00047895
-10.46968291 -15.96970507 -22.58363681
0.00058333 -0.00078611 0.00072692
1.27794215 28.05616568 -5.17052053
-0.00016176 0.00034924 -0.00021130
1.19867282 25.26978501 -6.11523499
-0.00101715 0.00025223 -0.00066029
1.10558650 32.70934843 -4.74856771
0.00056665 -0.00031742 0.00085963
1.47763434 31.70143705 -7.50105426
0.00007318 -0.00035406 0.00061174
6.55007041 -2.05340232 4.44010427
-0.00007641 -0.00018589 -0.00054371
8.91103649 -0.75102697 3.36890029
-0.00043582 -0.00012639 -0.00025493
-9.42126581 -16.13673832 12.05985249
0.00015993 -0.00067495 -0.00013225
-6.88579081 -17.07126646 10.67151832
-0.00062937 -0.00049156 -0.00016078
21.65486176 -15.70385992 4.08565325
0.00091202 -0.00044329 0.00069647
19.16301724 -14.25174533 4.70915040
-0.00001252 -0.00051044 0.00040553
-16.40855047 -14.11057069 -29.25027431
0.00039243 -0.00029678 -0.00019029
-16.45291380 -15.48968305 -26.61816966
-0.00013927 -0.00027465 -0.00026865
-0.13542756 -1.45164724 15.26933951
-0.00041846 0.00058448 0.00087096
0.83278398 0.29703311 13.30437314
0.00061600 0.00033100 0.00053792
5.74805540 1.70326569 8.32792095
0.00000485 -0.00039898 0.00037463
4.57663257 4.30677852 8.84218649
0.00137022 0.00015163 -0.00054369
-11.98559353 2.90227767 5.46541937
0.00008854 0.00017179 -0.00002239
-11.31147038 -0.15344041 5.24727288
0.00040110 -0.00083900 -0.00067711
7.29059238 8.17821999 5.66502917
0.00094540 -0.00005104 -0.00047825
8.46057093 10.61029064 6.82979944
-0.00015660 -0.00040881 -0.00065352
-8.57562557 11.03192494 0.57112948
-0.00013662 -0.00014269 0.00091728
-6.61168640 8.99272872 -0.97606141
-0.00016463 0.00009807 0.00036487
-1.12411976 -6.93893421 -7.11579423
0.00027728 -0.00026781 -0.00122250
1.26470739 -8.40981787 -6.61942361
0.00052447 -0.00023586 0.00041846
19.34825023 -18.13466922 -1.37073489
-0.00033911 -0.00003186 0.00050645
20.76004668 -15.80427316 -0.17708115
-0.00005824 -0.00028771 -0.00026590
4.93644115 -2.29636077 8.05217832
0.00035476 0.00054131 0.00008131
2.45780565 -2.86347211 6.75934403
0.00074218 -0.00139912 0.00039149
-19.30304524 -12.69430288 20.27049884
-0.00046419 0.00070240 0.00102896
-21.15112463 -10.61428068 21.27323940
-0.00070692 -0.00087155 -0.00144611
14.92137739 18.51533955 4.14501865
0.00021949 0.00007857 0.00015528
13.09508338 19.09698132 1.95362175
-0.00046477 0.00009056 0.00067824