First atomset in SCAN330 file ../mddata/s0024/md016.r
-13.06270334 -1.38198417 0.95222931
-0.00004876 0.00007267 0.00019303
-8.80327679 -4.52542648 0.97751785
0.00015032 0.00014637 -0.00002692
-12.61424199 -28.97133155 -7.88579592
-0.00008739 0.00016611 -0.00031009
5.61343583 5.14053468 -14.08689881
0.00032459 0.00039091 0.00007738
16.85952705 0.14371933 13.15562291
-0.00003736 0.00015197 0.00021656
6.14898883 -5.78295120 13.41352487
-0.00054155 -0.00005723 0.00017285
-20.06461403 -10.27392874 -16.89056599
-0.00008487 -0.00016318 -0.00019619
6.25663899 -10.07142381 -12.92870120
-0.00006846 0.00014850 -0.00004767
0.30635867 14.75226532 -8.74610062
0.00017762 0.00015780 0.00026629
2.66005546 0.41457451 -19.63891518
-0.00027028 -0.00021671 0.00013723
-9.33534968 -16.30641222 32.66012755
0.00008175 0.00032660 0.00001371
-2.87170904 -1.54265376 2.18144923
-0.00031647 -0.00013788 -0.00037499
-3.84336443 -20.61818352 5.32190961
-0.00031613 -0.00005274 0.00035247
-21.64829863 0.98889031 15.49564920
0.00001953 -0.00016707 -0.00028860
23.10872444 4.47873494 -26.16258619
-0.00014503 -0.00006361 -0.00000098
3.07839662 19.05204156 18.09808218
-0.00036991 0.00006128 0.00013961
12.75063736 -22.42642065 -4.65558049
-0.00006823 0.00011954 -0.00008684
-26.57339115 31.81473207 5.10921629
0.00035370 -0.00005175 0.00007070
-11.36214635 -1.31124168 11.42584712
-0.00004028 -0.00027386 0.00000095
5.67538528 -32.31017810 1.30170565
-0.00019860 -0.00014222 0.00016436
9.57205977 5.62564982 5.80996923
-0.00011740 -0.00006649 0.00013942
-1.30625527 15.40375188 7.22031703
-0.00025847 -0.00003234 -0.00043694
3.49354915 -14.96711198 6.68474897
-0.00034322 0.00014301 -0.00004642
-3.07260994 23.60760835 9.76551974
-0.00022033 -0.00008041 0.00019091
9.52945388 3.65605366 24.95050498
0.00002483 0.00013614 -0.00003044
8.00721524 4.17782406 13.58619130
-0.00017390 0.00035214 0.00023327
29.55756594 0.16630664 -15.55757850
-0.00005982 -0.00009482 -0.00015887
-2.41025809 13.50040539 -0.99095540
0.00004474 -0.00035095 -0.00014108
5.23360752 6.02008608 -0.85434142
-0.00017584 0.00013736 0.00015808
-14.76723097 -14.30833593 -6.07035794
0.00006351 -0.00028030 -0.00006572
-7.91921913 -8.58791051 13.33750420
0.00001335 0.00024161 0.00019525
2.01724392 -8.95477879 -2.64680952
0.00002957 0.00005327 -0.00022656
4.68798788 -14.16920658 12.90342489
0.00009236 0.00044899 -0.00048448
11.38384333 -14.11430568 26.18957219
0.00017037 0.00001668 0.00007387
1.31709316 5.16954020 2.49709963
-0.00003600 0.00011286 -0.00020988
-3.46959442 -6.66421453 2.65059838
0.00024811 0.00012056 -0.00000909
-19.90324394 23.00305981 -1.82258056
0.00004617 -0.00006255 0.00022412
15.53173093 12.00971845 -5.22093792
0.00007429 0.00012273 -0.00029006
-6.01937457 9.13734440 0.40169519
0.00008762 0.00002174 -0.00012578
3.81568514 5.35955390 -6.13890208
0.00029976 -0.00006507 0.00001594
6.53987067 22.81980968 13.02579934
-0.00015885 0.00017438 -0.00008124
-3.53397559 -10.21207895 -12.16529357
0.00012667 0.00048008 -0.00017598
-8.30193120 5.09739710 -19.25947472
0.00013905 0.00021262 -0.00005979
0.78224424 10.55208304 -6.16832469
-0.00002732 0.00013291 -0.00008639
-3.84700036 8.12512595 -4.92771709
-0.00001376 0.00011060 0.00007110
-3.26308838 23.40161221 -2.71936630
0.00005096 -0.00041584 -0.00000091
2.56875658 -4.41083600 28.86956074
-0.00020787 -0.00016465 0.00034125
-12.62031830 -9.45339995 -4.38300201
0.00018457 -0.00007264 0.00014906
-15.36328662 10.79781258 -1.44281697
0.00012076 -0.00009339 -0.00011235
8.44857791 -3.68603084 -3.73311412
-0.00001509 0.00039105 -0.00005887
-15.55182008 -4.61561160 4.18911125
0.00016744 -0.00008185 0.00005486
17.65577597 6.00749021 -33.15639136
-0.00016024 -0.00006755 0.00016069
-10.56040793 5.47979120 -8.05306348
0.00027628 0.00013590 -0.00009017
7.91763692 -21.91283918 19.28160163
0.00010546 -0.00066814 -0.00036421
12.85389010 -17.95780138 -1.89653434
0.00020183 -0.00020942 -0.00000772
-1.16520716 -3.12411457 -31.21097021
0.00007486 -0.00025488 0.00021137
-7.28306307 -2.40538226 -5.93729479
-0.00036004 0.00029493 -0.00001522
23.44489123 -4.09416324 9.87114588
0.00016271 -0.00002580 0.00003586
-0.08214268 9.13170449 -12.48065329
-0.00012092 0.00012393 -0.00009267
11.25537723 0.86829488 -16.78751323
0.00025791 -0.00027940 -0.00020466
17.10826179 -7.00659678 -3.03963686
-0.00022735 0.00013712 0.00001549
11.56763012 12.31825805 -12.98816483
-0.00002450 0.00021476 -0.00006881
-11.37637630 -8.99064126 24.71589730
-0.00022757 -0.00026139 0.00027173
0.85115350 -19.47344602 10.81538956
-0.00007839 0.00022500 -0.00015981
-14.35163427 -2.58518393 1.59359402
0.00012361 -0.00056802 0.00038868
-13.33314360 -1.65705084 -0.91811017
-0.00111256 0.00053631 -0.00026108
-7.26025113 -3.96225467 1.74453952
0.00016729 0.00066681 -0.00042148
-10.08405418 -3.19768473 1.00236441
-0.00002523 -0.00027366 -0.00036810
-11.26082010 -28.47858348 -9.09172727
0.00022843 -0.00021499 -0.00000850
-14.03563862 -29.42016784 -8.96602242
0.00122065 -0.00009897 0.00037576
6.55843368 5.38836285 -12.52142381
0.00044439 0.00029281 0.00044476
4.87845790 6.75627931 -14.84710805
-0.00057687 -0.00008936 0.00009114
17.01915238 -1.17924325 14.41442693
-0.00063243 -0.00069168 -0.00022969
15.07251219 -0.08304534 12.33650269
0.00073038 0.00067622 0.00084115
5.91059544 -3.90108894 13.08597308
0.00010873 -0.00009698 -0.00002062
5.27664520 -6.20763114 14.91790839
-0.00050454 -0.00008913 0.00010014
-18.83126362 -9.96629673 -15.56034311
0.00063208 -0.00061643 0.00094212
-19.33516844 -9.94094474 -18.46514873
0.00059384 -0.00004811 -0.00020808
6.00283700 -11.35393887 -11.65629603
-0.00004104 -0.00068318 0.00030439
6.33144649 -8.51023882 -12.05686659
-0.00022310 0.00015198 0.00000197
0.47455008 12.98550779 -8.08535666
-0.00010640 0.00024133 -0.00008816
1.26334068 14.85926565 -10.31203473
0.00043381 0.00047304 0.00017503
4.12007145 0.21606697 -18.59029660
-0.00032452 0.00076459 0.00002660
1.39383060 -0.74076372 -19.02050129
0.00043704 0.00000760 0.00047152
-7.63246639 -16.41699382 33.48112207
-0.00016072 0.00009994 -0.00065538
-10.44779989 -17.49071357 33.63629563
0.00041270 0.00027992 -0.00042007
-2.95943874 -3.43449664 2.17166166
0.00021687 -0.00032422 -0.00003824
-4.22182467 -1.04005679 3.25160866
0.00008824 0.00008673 0.00156013
-5.43024586 -19.80154044 4.81271453
-0.00072363 -0.00048046 0.00125814
-4.05475820 -21.30061843 6.97802166
-0.00107962 -0.00027223 0.00013546
-21.27106273 2.54831184 16.54684788
-0.00068167 -0.00072596 -0.00006582
-22.93521244 -0.06202599 16.45300124
0.00021613 0.00018805 0.00007415
21.65005600 3.21685698 -26.29561019
0.00051637 -0.00091175 -0.00076874
23.29404700 4.91251221 -24.33177177
0.00082418 -0.00006977 -0.00005045
2.91690114 20.30820417 19.43905011
0.00068413 0.00007112 -0.00012905
2.39644985 17.49155295 18.83820944
0.00000306 0.00045658 -0.00059212
13.63991639 -21.17738809 -3.83529204
-0.00034292 -0.00096016 -0.00046507
10.93929931 -22.28093716 -3.92578286
-0.00034083 0.00022197 -0.00021346
-26.66773758 30.04760785 5.49028646
-0.00007127 -0.00031718 0.00067910
-26.74763471 32.87745509 6.58905956
-0.00002934 -0.00025289 0.00012909
-12.98895347 -0.75384781 12.04277980
-0.00021606 -0.00015429 -0.00024985
-11.49914946 -1.55900552 9.62909610
-0.00009086 -0.00062023 -0.00000105
4.24416386 -32.19643355 0.22429696
-0.00018070 -0.00074239 0.00010854
6.67991822 -33.62796569 0.51235591
-0.00078913 -0.00001260 -0.00022915
8.44305651 6.04473405 7.15956532
-0.00015717 0.00009208 -0.00041342
9.97204251 7.21751197 4.89384767
0.00074101 0.00023041 0.00007461
0.21698427 14.61463763 6.71852887
-0.00045662 0.00079017 0.00054105
-0.74529770 16.96346433 8.17035549
0.00066643 -0.00012890 -0.00023591
1.83762229 -15.17204454 7.58871257
-0.00016333 0.00079375 -0.00038922
3.63316863 -13.01954250 6.70788080
-0.00056671 -0.00073056 0.00009216
-4.45800266 23.42111689 11.09241030
0.00035944 0.00056399 0.00025283
-1.85032437 24.84310974 10.59045827
0.00040044 -0.00005737 0.00050297
9.02053537 4.01954787 26.66382921
-0.00005765 -0.00068198 0.00022143
9.11436892 1.84439831 24.70345649
0.00077780 -0.00106102 -0.00086274
8.08510147 2.39107113 13.35753371
0.00049953 -0.00053838 -0.00073202
9.78823472 4.79393508 13.82471757
-0.00018347 -0.00030788 0.00032816
31.39208724 0.40541165 -15.95491234
0.00033958 -0.00023791 0.00054675
29.14586093 2.05537250 -15.35976745
-0.00022133 -0.00012307 0.00065569
-3.70977658 14.54715023 -1.87911061
-0.00029020 -0.00042605 -0.00017570
-3.15368981 11.81938497 -0.85595734
0.00097913 0.00012091 -0.00049873
3.69144509 5.37984261 0.24832765
0.00020641 0.00082104 -0.00040781
6.71144231 5.31534820 -0.07659231
0.00046458 -0.00018561 0.00074368
-14.73561045 -12.93534562 -7.20376616
0.00030445 -0.00013886 0.00017598
-13.49312424 -15.44596025 -6.60625060
-0.00049321 0.00070210 0.00010565
-9.43271197 -9.41628387 12.66868005
0.00071902 0.00008185 -0.00081505
-6.58104327 -9.47314198 12.43701454
0.00024748 -0.00045737 -0.00019795
2.32348359 -10.30178601 -3.79523749
-0.00041646 0.00044908 0.00017657
0.16534689 -9.24556543 -2.21719501
0.00026035 0.00057111 0.00002088
2.90415923 -13.99453374 12.75787043
0.00024648 0.00049314 0.00032203
5.10901335 -15.18652863 14.30438350
-0.00094691 -0.00066323 0.00099086
13.13106180 -14.55063108 25.75245486
-0.00023319 -0.00031604 0.00054428
10.54634887 -13.89003526 24.64801471
0.00009534 -0.00031412 0.00057615
1.45107434 3.58070299 3.22092687
0.00045320 -0.00028116 -0.00051144
1.80081632 6.53114462 3.82609505
0.00043703 0.00004072 -0.00008682
-2.98134440 -7.02033781 4.40834438
0.00030748 -0.00030849 0.00001867
-2.86601274 -8.27810765 1.73246521
0.00040889 0.00005900 0.00098276
-20.18801264 22.72859565 0.06413170
0.00025317 -0.00003981 0.00090203
-21.16508957 24.38077193 -1.94098812
0.00107080 -0.00032274 0.00050417
15.65675274 13.11227868 -6.74330591
0.00068529 -0.00013504 -0.00024100
13.68994355 12.18285693 -4.94510066
0.00080535 0.00025333 -0.00027129
-5.36044439 9.11440210 2.12836228
0.00024842 -0.00004498 0.00024818
-6.89793492 7.52707510 0.07308030
-0.00045966 0.00051184 -0.00078128
5.38331479 4.70550431 -6.99510771
-0.00022265 -0.00069750 0.00025953
3.96906273 5.22823182 -4.22910444
-0.00043823 -0.00010863 0.00093683
6.22796569 23.32001177 11.32866613
0.00053429 -0.00043225 0.00090670
4.80119715 23.38167367 13.81743245
0.00013414 -0.00000633 -0.00082427
-2.90571963 -9.52934144 -13.71919808
0.00001405 -0.00084188 0.00048916
-2.62400835 -9.74424145 -10.64097408
-0.00058911 -0.00010373 -0.00135090
-9.80581741 4.43715422 -20.03180306
-0.00027027 0.00071919 -0.00040262
-9.07903462 6.14692959 -17.86509736
0.00017324 -0.00068649 -0.00036834
2.02187772 9.30324479 -6.02614009
0.00032785 -0.00028376 -0.00080984
-0.75637856 9.47237335 -6.14209997
0.00064017 0.00022670 -0.00028423
-5.19664084 9.14255423 -4.07015052
0.00025203 0.00030906 -0.00009224
-2.94823761 7.10997075 -3.76156737
0.00014895 -0.00040844 0.00011895
-3.39437023 22.91910754 -0.91495845
-0.00045661 -0.00033285 -0.00074984
-4.63896589 22.67148811 -3.59798796
0.00012473 -0.00061554 -0.00056874
2.13787037 -4.58771808 30.73930805
-0.00005648 0.00008106 -0.00119066
1.21307708 -5.00467557 27.84363383
-0.00082365 0.00036055 -0.00027632
-12.42008407 -8.05750057 -5.60285458
-0.00022294 -0.00016608 0.00013688
-12.33041644 -8.56411207 -2.84086106
0.00049958 0.00083175 0.00100504
-14.39005778 11.09398753 -2.96231474
0.00099564 -0.00031709 -0.00063679
-16.57416611 9.41701114 -1.87168541
0.00076075 0.00008125 0.00125978
6.94063277 -4.64724814 -4.31303553
0.00051910 -0.00001376 -0.00027152
9.43183540 -3.89888210 -5.36727336
0.00049883 0.00043146 0.00038845
-17.39042047 -4.43850278 4.69726548
0.00080703 0.00097921 0.00023577
-15.57340678 -6.24820321 3.30301355
0.00066888 -0.00100148 -0.00089719
18.41939862 6.87678943 -31.63900694
-0.00055292 -0.00053489 -0.00004543
17.83935943 4.17610780 -32.97956645
0.00114369 0.00045881 0.00058669
-10.24124344 3.93850324 -7.04451246
-0.00095479 -0.00026859 -0.00004554
-8.84936773 6.11618428 -8.34164710
-0.00013485 -0.00006980 0.00110115
7.36342827 -23.63653739 19.43952000
0.00013327 -0.00002604 0.00048572
6.56513428 -21.13528810 20.35943579
0.00055286 -0.00021341 0.00039698
11.32584020 -18.64668665 -0.90070721
0.00089101 0.00040443 0.00010147
12.51073664 -16.06191114 -2.31365896
0.00040893 -0.00038958 0.00003105
-2.38864524 -3.70208422 -30.01587962
-0.00031855 -0.00014126 -0.00067508
0.32149436 -4.20809324 -30.69646657
0.00006096 -0.00059131 0.00047451
-7.60876217 -4.16066065 -5.49929935
0.00013664 -0.00053775 0.00021811
-8.82258095 -1.16348572 -5.46865691
-0.00081037 0.00033824 0.00001035
23.17687205 -4.97001441 11.51414248
-0.00050414 0.00054958 0.00065777
21.98761988 -2.63254256 9.81241208
-0.00076761 0.00032476 -0.00053253
-1.77266777 9.65529619 -11.92992955
0.00030357 -0.00013870 -0.00051944
-0.23139940 7.34724416 -12.99322632
0.00042432 -0.00084307 -0.00032087
11.05701933 0.43925734 -18.57550003
0.00027903 -0.00022070 0.00004986
11.34557887 2.69367343 -16.60038100
0.00024816 -0.00020128 0.00018968
16.40412375 -8.61229186 -3.50023694
0.00011466 -0.00023697 -0.00000148
15.82573044 -6.19022146 -1.92925870
-0.00076954 0.00005265 0.00079809
9.87029926 12.87547130 -13.40363502
-0.00083505 0.00051603 0.00048702
12.14134845 10.98926741 -14.11571504
0.00021513 0.00003533 -0.00028869
-10.86770944 -10.52741643 25.42881177
0.00015584 -0.00002859 -0.00025944
-10.03113997 -7.78320296 25.02241721
0.00067138 -0.00046111 0.00005264
1.05744381 -19.80017285 12.63504406
-0.00031520 -0.00012398 0.00025300
2.70871692 -19.34792435 10.22715716
0.00040040 -0.00118135 0.00051786