First atomset in SCAN330 file ../mddata/s0002/md014.r
2.10798618 -35.76863478 11.77956155
0.00008448 0.00011219 0.00026151
13.08934019 11.96884818 10.28303513
-0.00048869 -0.00007157 0.00018745
19.03557351 5.01691779 -4.81567438
-0.00014186 0.00008276 -0.00014994
-3.78558487 10.31907699 20.63765949
0.00022119 -0.00002879 -0.00014880
-9.07621677 -3.52061797 2.94065499
0.00005134 -0.00003530 0.00000098
16.43311289 -13.33093230 1.45129345
-0.00004601 0.00004614 -0.00003399
-8.80392080 6.85856970 11.95527252
0.00018140 0.00030034 -0.00016334
-9.46128962 7.89784376 -17.07074043
0.00022658 -0.00019522 -0.00002122
17.46440727 20.72506517 -14.85695631
-0.00004180 -0.00027750 0.00019082
-22.89653959 -26.11310629 -5.81694498
0.00001929 0.00004487 -0.00036211
16.05505661 1.29207185 -10.71010450
0.00022259 0.00016421 0.00013029
9.30372459 12.52397075 14.29174727
0.00011227 0.00017488 -0.00010012
28.43116762 -20.16098340 12.36992083
-0.00008607 0.00018029 0.00021548
-4.91465367 -6.71717176 2.81406173
0.00015173 -0.00012639 0.00003086
-5.40858797 9.36393319 -7.83163361
0.00046598 -0.00011552 -0.00009597
1.39355116 -21.23128252 -7.65687759
-0.00010295 0.00020517 0.00014602
7.07497473 2.99656766 -5.14396056
0.00003400 0.00014378 0.00032430
-4.62296567 21.93290368 -0.67864435
-0.00022285 0.00036499 -0.00003645
-11.66937048 1.93694717 -3.15854264
-0.00013501 -0.00009303 0.00002068
-18.76070100 -8.19321403 12.03614446
-0.00030094 0.00002928 0.00030506
4.83935911 12.10310141 4.07190222
0.00002427 -0.00012349 -0.00012664
21.62604334 -18.59282274 5.43718473
-0.00004964 -0.00017025 -0.00028946
-11.43369961 12.65741929 1.34944968
0.00038591 0.00016050 0.00016140
-1.78867488 23.17143900 -40.18269651
0.00033593 0.00007364 -0.00037303
-12.62064357 -5.52287002 -16.84965505
0.00004722 0.00005354 0.00025801
-10.85886050 -7.67332722 -3.38439007
-0.00010408 -0.00019870 -0.00016690
-18.93541141 7.55824069 32.58790945
0.00020604 0.00011161 -0.00008582
15.78315953 28.28975713 -23.80099494
-0.00012599 -0.00000641 0.00038426
-13.10598899 -10.69173807 5.83150187
0.00014399 0.00019103 0.00014529
-4.76658608 -14.80828774 6.91195651
0.00009017 -0.00000151 0.00024506
12.96533551 10.49092398 -5.13043405
0.00011320 -0.00008308 -0.00001765
3.17682476 2.80461449 -2.03604941
0.00011541 0.00013814 0.00014266
-2.50184020 8.11924201 11.47719927
-0.00009508 0.00019576 -0.00003164
6.14393086 9.49676371 -24.90771161
0.00035707 0.00038174 0.00028997
-16.29920562 13.90492296 -4.82543966
-0.00027709 -0.00012703 0.00009171
1.46346640 8.23846472 -3.13300505
-0.00030159 0.00018042 -0.00015464
5.12350554 -4.42032245 -7.45373073
-0.00025872 -0.00001811 0.00023384
-14.86111627 -24.16135073 14.26207241
0.00046485 -0.00021292 0.00011549
-16.36377408 -23.68640821 28.28228211
0.00024276 -0.00031155 -0.00008039
15.24431910 -6.51204180 -8.75102216
-0.00005130 0.00006422 -0.00021015
10.68409906 30.21209045 22.32326695
0.00018877 0.00004089 0.00016695
6.17642967 3.87311545 2.36434924
0.00004754 0.00022509 -0.00023418
-2.46309475 -20.84208517 12.38858891
-0.00026096 -0.00009398 0.00000936
-7.04249203 0.71726025 -5.38505557
-0.00010349 -0.00016495 -0.00036625
-29.83653799 -7.96700652 10.47459051
-0.00022207 -0.00021402 0.00015150
2.68734252 7.04402620 4.35918105
-0.00015378 0.00001530 -0.00012290
-13.41839662 7.41574799 3.77234704
0.00015853 -0.00032661 0.00009069
8.08891034 7.45991197 16.00696151
-0.00003645 -0.00015864 0.00017839
-1.31635783 2.43689130 0.11187191
0.00025116 0.00025893 0.00030644
2.04921893 -7.29839339 -18.04808606
-0.00027432 -0.00005624 0.00007445
20.48446544 -9.46577369 6.92632949
0.00018991 -0.00024734 0.00002033
14.54835158 1.84787742 3.77130689
-0.00018735 -0.00020141 0.00008795
10.87255540 1.82983158 8.67128728
-0.00021635 -0.00024089 -0.00006219
12.00719193 20.08629162 -12.55812608
-0.00011767 -0.00031170 -0.00014987
11.48266191 -2.71368540 -2.01599420
0.00005393 -0.00007240 -0.00011757
2.33580600 -2.69918076 -1.04661370
-0.00002708 -0.00010038 -0.00025846
-0.72919263 -3.81937467 2.91271807
-0.00000162 0.00027873 0.00003601
-17.74077051 -4.96030651 -15.52814825
-0.00008430 -0.00038544 0.00024879
-4.47873006 -3.86486272 18.03778107
-0.00003119 0.00003845 -0.00014388
6.73268442 18.29196123 -2.29718244
0.00008305 -0.00004486 0.00003592
4.14538283 -13.22979768 -7.12721097
0.00001582 -0.00004072 -0.00011571
-5.72750062 15.28584393 21.63443548
-0.00008375 -0.00034658 0.00002826
9.72430660 6.65879565 -13.21310007
0.00020712 0.00005169 -0.00009222
-19.78184920 -0.33609726 8.56211850
0.00006039 0.00006838 -0.00012773
0.61881245 -36.88936486 11.46719970
0.00018876 0.00001706 0.00071109
2.30564701 -36.17901764 13.52251173
0.00081651 0.00005080 -0.00067519
11.85546255 11.84074102 8.88704893
-0.00020036 0.00153474 -0.00081619
13.49077161 10.20204724 10.58240033
-0.00000268 0.00086683 -0.00075090
20.65236195 4.28021863 -5.36726748
-0.00062966 -0.00026912 0.00019475
18.52414204 6.44199112 -5.95425331
0.00112174 0.00006465 0.00077929
-2.05515489 9.66385384 20.74801973
0.00031630 -0.00046070 -0.00053756
-3.72955161 12.18424782 20.43638771
-0.00005540 0.00035985 -0.00018836
-7.71386951 -4.66640279 3.32542680
0.00027327 -0.00038977 -0.00025971
-8.92137331 -1.75657045 3.49306892
0.00080995 -0.00064862 0.00172530
17.69467731 -13.48385177 0.15417292
0.00005549 -0.00087732 0.00082001
17.24657936 -13.35105449 3.10008385
0.00059462 -0.00020488 -0.00045273
-7.80181979 7.81151409 13.16585695
-0.00073473 -0.00068352 -0.00004306
-8.10514184 5.11580767 12.10729440
0.00210515 0.00007674 -0.00025753
-10.91015816 7.81453847 -18.22382012
0.00046723 -0.00025564 -0.00121470
-10.26373980 7.19871915 -15.61256042
-0.00008875 0.00065659 -0.00055978
16.62342872 20.39675590 -16.42637320
-0.00032937 -0.00077611 0.00034855
18.09703460 19.00550510 -14.31223845
-0.00022309 0.00014307 -0.00002553
-22.45797780 -26.31742731 -4.08244920
0.00032695 -0.00031875 0.00001066
-21.48722222 -27.14525049 -6.50918818
-0.00029772 0.00012917 -0.00071401
15.63604990 -0.32233656 -11.33014453
0.00008009 0.00074738 -0.00090201
15.49813055 1.39226535 -9.00232475
-0.00026222 0.00060125 -0.00033818
8.05724890 13.43740184 13.33158890
-0.00012368 0.00020473 -0.00025817
10.85912123 12.48809062 13.32784622
-0.00011827 0.00046767 -0.00014877
28.15473160 -18.61126370 11.49619450
-0.00007178 0.00011639 -0.00043146
27.13526577 -20.62163988 13.64052090
0.00011643 -0.00021433 0.00111251
-3.46371629 -5.59901296 2.72354379
-0.00000012 0.00111606 0.00044218
-4.47677461 -8.03466952 3.93433134
0.00008933 0.00024366 -0.00042812
-4.69186717 10.58080377 -6.53119733
-0.00001332 -0.00053759 -0.00075563
-4.25924745 9.16369449 -9.27115236
-0.00013133 -0.00082907 -0.00027757
1.44139852 -22.75900215 -6.70356623
-0.00046357 -0.00010429 0.00069310
-0.30221926 -21.32641940 -8.53085269
0.00063118 0.00014435 -0.00004498
5.44520570 2.99120948 -4.44334530
-0.00057693 0.00083417 -0.00015107
7.07045727 1.78267377 -6.44893243
0.00086742 -0.00087000 -0.00000391
-4.83250437 21.77571957 -2.59405851
-0.00006305 -0.00063039 -0.00017926
-6.05414830 20.99853207 0.15922189
-0.00048878 -0.00014210 0.00034345
-10.85347016 3.19929681 -2.07638952
0.00053779 0.00065504 -0.00021467
-13.26569075 2.69896472 -3.74188718
-0.00068871 -0.00133718 0.00043303
-18.10015273 -7.31189394 10.35616151
-0.00069311 -0.00090513 -0.00024241
-20.20415910 -9.32079814 11.50652612
-0.00043316 0.00014250 -0.00033756
6.26473452 12.37090077 5.18605488
-0.00104540 0.00126107 -0.00031117
5.60743861 11.97966705 2.42904898
0.00035421 -0.00001601 0.00067729
20.62448864 -17.01341730 6.10454611
-0.00077606 0.00031636 0.00013606
23.39146830 -17.78990654 5.29605719
-0.00009644 -0.00025028 -0.00000743
-12.06276505 14.11813264 0.23426746
0.00001504 0.00052574 -0.00030349
-9.54767021 12.60867364 1.24573096
-0.00082629 0.00007689 0.00032887
-3.34886596 22.40707997 -39.52800158
0.00017599 -0.00071049 -0.00044772
-1.99015672 25.01754879 -40.32740221
-0.00065559 -0.00010114 -0.00063812
-12.09416787 -4.70108931 -15.17969315
-0.00049797 -0.00053299 -0.00000246
-11.75049792 -4.91723012 -18.27128031
0.00088900 -0.00023906 0.00050247
-11.25888322 -5.91952856 -3.26304254
-0.00083039 -0.00062119 0.00050534
-9.21363597 -7.88097449 -2.65010664
0.00011021 -0.00048654 0.00006027
-19.50798041 7.30458441 30.92539455
0.00066854 -0.00040548 0.00007481
-19.62693660 9.15761241 33.13361661
0.00021478 0.00005751 -0.00036514
17.61141889 28.29652375 -24.16724772
0.00076993 0.00064154 -0.00073574
15.50610316 29.98099290 -22.83198746
0.00069199 -0.00014944 0.00019845
-12.23598871 -10.66134066 4.12451991
-0.00012243 0.00012688 0.00066698
-13.08064313 -9.00741388 6.47747160
0.00022736 0.00044746 0.00011236
-4.80851710 -12.98972341 7.00957699
0.00087398 0.00022636 -0.00039985
-6.61764910 -15.30085909 6.90866729
-0.00032881 0.00024802 -0.00079641
14.81190811 10.26561249 -5.29228293
-0.00005607 0.00049364 0.00005978
12.81585307 12.14408131 -4.29014660
-0.00045925 0.00087934 -0.00018694
1.60087485 2.56381204 -0.99433676
-0.00006464 -0.00057710 -0.00048213
4.37853621 2.78010955 -0.66328054
0.00014761 0.00042327 -0.00010374
-3.40273968 8.12170030 9.80754567
0.00085758 0.00064157 -0.00039157
-2.01904625 6.34315345 11.64430475
-0.00041593 0.00044352 0.00009026
6.56583876 10.83627198 -26.21374144
-0.00069545 0.00001092 0.00009920
4.41930366 8.96774811 -25.25822912
0.00025610 -0.00037887 -0.00046986
-16.11545462 15.54134448 -3.81741276
0.00015828 0.00062831 0.00024400
-14.79185331 13.82642053 -5.97873150
-0.00104447 0.00158769 -0.00018194
1.43123246 6.39409415 -3.31606885
-0.00005220 0.00068731 -0.00016686
2.29233279 8.80000305 -4.71239165
0.00013970 0.00059458 -0.00002636
4.97310981 -6.09298293 -8.37883569
0.00046175 0.00018879 -0.00024219
5.98216665 -4.68963305 -5.87842676
-0.00054297 0.00000644 0.00018618
-16.31050696 -25.24669591 14.32289598
-0.00051186 0.00003527 -0.00011139
-15.48476060 -22.81326043 13.01349094
-0.00089671 -0.00049475 0.00036199
-17.67022198 -23.64399561 29.48820229
-0.00148331 -0.00039557 -0.00011841
-14.71865568 -23.32683853 29.21660370
0.00039361 -0.00012642 0.00102014
14.18828082 -7.43283296 -7.59590111
0.00008447 0.00059613 0.00082198
16.45108853 -5.61915112 -7.60748326
0.00041448 0.00025115 0.00011831
11.80653610 31.52118007 21.47990886
0.00057678 -0.00025961 0.00071669
9.11487031 31.22061033 21.94532527
0.00024753 0.00001580 -0.00077853
6.43452981 2.10483973 3.13760187
-0.00029587 0.00017406 0.00041541
7.67359110 4.86018424 2.63735091
-0.00025770 0.00003609 0.00155963
-4.10399830 -21.43743799 12.76961963
-0.00066454 -0.00015589 0.00026058
-2.00056806 -21.93211707 10.90826577
-0.00067020 0.00009519 -0.00021908
-6.08016484 2.27190310 -5.16943129
0.00094336 -0.00079296 0.00032440
-8.73846340 1.08528948 -4.72324093
0.00011638 -0.00033389 -0.00064369
-31.36927117 -8.83721591 9.74989029
0.00072546 0.00024926 0.00035914
-30.22370630 -8.08140185 12.19923729
-0.00010110 0.00062042 -0.00062112
3.58440264 6.05117211 2.99316061
0.00047985 0.00038623 -0.00023438
2.91616987 8.78313759 3.92958481
0.00054375 0.00065767 -0.00029243
-14.18314787 8.88411692 4.46718156
-0.00082600 0.00002482 0.00091747
-13.17944777 7.74759028 2.00023791
-0.00084690 0.00008315 0.00047556
9.20289880 8.84522308 16.29804014
0.00012147 0.00029182 -0.00020567
7.81921018 6.33203504 17.43160330
-0.00075237 -0.00063291 0.00019953
-1.42150698 3.37703096 1.65273091
-0.00066088 0.00012529 -0.00056375
-2.60907460 1.14433328 0.26893558
0.00001960 -0.00075538 -0.00043317
3.53208409 -6.43142946 -17.18567419
0.00042745 0.00018568 -0.00001516
2.73701927 -8.84643869 -18.85936879
0.00029123 -0.00067966 -0.00019002
22.07002252 -8.59385661 7.15036238
-0.00037268 -0.00051505 -0.00043761
19.31249104 -8.92750805 8.30172908
-0.00057112 0.00022691 -0.00028337
12.98424669 2.33248307 4.57425286
-0.00105296 0.00116370 0.00045019
14.97655085 2.73567580 2.09101384
-0.00011570 0.00053839 -0.00027711
10.29138736 3.52464838 9.10470769
-0.00013972 -0.00032141 -0.00013222
12.64587678 1.84362935 9.00507103
-0.00071528 0.00054425 -0.00060861
12.75133104 19.08219864 -11.28050533
-0.00053792 -0.00000909 -0.00014933
10.91637063 21.21878541 -11.66154941
0.00002295 0.00124745 -0.00072704
11.66971678 -2.83477192 -0.19935635
-0.00093385 0.00002778 0.00021388
11.31210982 -0.90080758 -2.52922282
0.00053442 0.00097481 -0.00020463
2.45236164 -0.88600676 -1.31345845
-0.00023251 0.00048410 -0.00012166
1.61620839 -3.08119135 0.76452459
-0.00014633 -0.00003385 -0.00031180
0.33674901 -5.32175282 3.67686080
0.00023455 -0.00039413 0.00036745
-0.82647085 -2.65601337 4.32895909
-0.00070829 0.00035458 -0.00017613
-16.03041296 -4.71048385 -16.39558303
-0.00073759 -0.00024981 -0.00148987
-18.17951960 -3.17974897 -15.26761737
0.00016272 -0.00070672 0.00065290
-2.71184090 -3.88381654 17.37170696
-0.00057960 0.00018989 -0.00003464
-5.47512774 -2.31029999 17.43225712
-0.00036709 0.00054359 -0.00058690
5.45163792 19.17627102 -1.30308532
-0.00011382 -0.00018579 0.00052026
8.27366324 19.38124539 -2.02941075
-0.00044155 0.00024656 -0.00116832
4.96018693 -11.74391969 -6.37996711
-0.00176671 -0.00013198 -0.00033807
5.75877778 -14.26813097 -7.60666886
0.00058452 -0.00042496 -0.00011756
-5.23438723 15.75562479 23.43053961
0.00110526 0.00020172 0.00022563
-5.35946582 16.66021283 20.62366901
-0.00017641 0.00077915 0.00038444
9.74520721 6.76172696 -11.40922241
0.00017455 0.00025249 0.00110797
7.85662794 7.00763818 -13.47900394
0.00039027 -0.00111825 0.00035743
-21.35111696 -0.20329073 7.60584432
0.00116162 -0.00013027 -0.00095890
-19.52730979 1.13507389 9.63816621
-0.00062910 -0.00095906 -0.00033522