First atomset in SCAN330 file ../mddata/s0024/md072.r
-8.15224912 6.99914949 4.20110254
-0.00017382 -0.00007146 -0.00002722
-7.33960479 4.47361120 -4.55872978
-0.00006462 -0.00006121 0.00037763
-10.57235459 -39.72690964 -1.63574245
-0.00008199 -0.00042483 -0.00006096
4.52749169 4.15796668 -18.66987426
0.00016442 -0.00009103 -0.00006517
9.55258982 -10.94270207 12.15963260
-0.00009085 0.00023186 0.00024013
7.46316264 -6.92789991 14.49092671
-0.00022484 0.00005569 -0.00007668
-22.35679943 -8.87090641 -11.73772640
0.00028188 0.00044169 -0.00028042
-2.73701829 -6.84145422 -9.26569280
0.00037770 -0.00018403 -0.00001395
0.45434739 13.20369054 -3.44613295
0.00014461 -0.00036869 0.00029981
3.96048867 1.48980129 -12.35901037
0.00015967 0.00000671 -0.00009840
3.94032430 -9.71711239 27.16003718
0.00049916 0.00030264 0.00000435
-4.06925067 -2.05119718 -3.81109736
-0.00001496 0.00022831 0.00008520
-10.99988174 -20.56324709 1.11600271
0.00030201 0.00027898 0.00016407
-18.67275383 -0.10025513 25.24858241
-0.00047110 -0.00003628 -0.00009526
21.32371015 1.70550231 -24.49476437
0.00023586 -0.00025349 -0.00012495
6.39454687 10.62442330 31.42936134
0.00005357 -0.00011267 0.00029881
16.89922157 -25.48505393 -8.74051579
-0.00011893 -0.00006930 0.00011202
-28.58685235 35.91118705 15.84858261
0.00015479 -0.00019641 0.00011980
-13.25305026 -7.29417346 2.34558726
0.00012779 -0.00000008 -0.00014697
7.73109176 -48.83294560 -10.73448025
-0.00033606 0.00022153 -0.00018721
13.23769949 12.64222986 8.29128341
-0.00015668 -0.00018479 0.00004329
-7.93634973 11.77730024 21.95690587
-0.00009407 -0.00002067 0.00028662
3.57896880 -10.07072146 16.06507397
0.00032695 -0.00000048 -0.00021871
-8.16039120 21.36221732 7.41957422
0.00019483 -0.00019159 0.00038599
23.90183294 2.22856159 15.06258523
-0.00036593 0.00014458 0.00026002
2.03541518 -6.01577412 6.46982413
-0.00004446 -0.00005606 0.00022383
30.07988222 8.24237651 -19.80442159
0.00021755 0.00007211 0.00000476
-8.14774704 16.39814810 -7.04311306
-0.00008838 -0.00024834 0.00015686
11.34230542 14.06099042 -4.98795157
-0.00010907 0.00000254 0.00011171
-13.32984801 -20.06758691 5.54280162
-0.00035459 -0.00047741 -0.00001281
-6.36915968 -18.22019691 11.31725129
0.00003852 -0.00000398 0.00008385
7.29392153 -5.40012270 -3.87142943
0.00004303 0.00001734 0.00018679
3.74120259 -15.61343064 16.86970313
0.00010927 -0.00013773 0.00013021
10.05356332 -16.76058928 33.28894955
0.00010466 0.00017314 -0.00016089
-1.40585140 0.77183346 3.82125010
0.00001274 0.00001826 -0.00030721
-3.31923445 -4.39253224 4.53950727
0.00004525 -0.00024939 -0.00014623
-22.60168819 31.43699459 6.68638450
-0.00010527 -0.00006120 0.00003130
18.05958373 6.01969964 -0.19946773
-0.00021697 0.00017181 -0.00035769
-7.16302202 10.21619213 11.85172095
0.00002695 0.00056544 -0.00005166
7.13687083 3.28075154 -2.34159582
0.00005770 0.00023892 -0.00011957
5.16545380 29.64222910 11.46192854
-0.00010817 -0.00014525 0.00009428
-9.12622747 -1.62846134 -21.24772814
-0.00029400 -0.00010367 -0.00011095
-2.63054987 11.92429728 -17.68895649
-0.00004818 0.00016523 -0.00005058
-2.48862176 17.80080926 -0.42681934
-0.00002340 0.00003915 0.00014069
1.78125327 3.69184095 -3.48831906
-0.00000792 0.00007574 -0.00014886
-2.98106403 21.09804087 -13.10991630
-0.00008954 -0.00033327 0.00010970
2.24564625 -3.34072520 21.34800964
0.00024656 0.00030100 -0.00025355
-12.07049935 -12.98559386 3.97725274
-0.00007015 0.00021661 0.00009230
-17.54761820 13.50047350 -1.25079062
0.00014422 0.00004121 -0.00020464
-0.17699235 -2.80231825 -7.23279128
-0.00001499 0.00014710 -0.00006192
-9.98826571 -5.70880017 -1.09680729
-0.00013361 -0.00030606 -0.00044420
19.81864597 5.01797665 -31.34514696
0.00010341 -0.00004730 0.00027749
-9.28302064 1.26204545 -12.61640232
-0.00001180 -0.00005928 -0.00010009
12.98722537 -22.85308259 16.60474736
-0.00019362 0.00016676 0.00000320
19.45275273 -18.78976383 7.18450105
0.00003056 0.00007384 -0.00020686
-15.01845875 -14.21877106 -26.68754374
-0.00010040 0.00009449 0.00025182
-8.64592994 -6.80108115 -17.65056241
0.00025805 -0.00027382 -0.00004346
30.14150870 -4.04365575 4.77332318
0.00020805 -0.00010704 -0.00010690
-3.16359569 9.11798818 -4.03969849
-0.00010993 -0.00013171 -0.00035222
8.85594724 -0.74394600 -15.58572337
-0.00009449 0.00008894 0.00009742
9.96909022 -1.09197518 -2.48219212
0.00008078 -0.00022045 0.00005848
12.12817803 9.11552750 -8.54665273
-0.00001063 -0.00007788 -0.00006116
-3.14998220 -10.97524183 23.98766744
-0.00007501 -0.00004727 -0.00018314
1.58383812 -24.76830689 7.44483317
0.00002204 -0.00010872 0.00029649
-6.76301015 6.39616515 5.22448934
0.00103362 -0.00023002 -0.00034485
-9.18769422 5.48059054 4.03756131
-0.00017697 0.00033559 0.00029070
-5.83865430 4.50954279 -5.64851592
0.00107308 -0.00016524 0.00015042
-8.21928801 2.87401103 -5.09590895
-0.00054758 -0.00079877 -0.00076319
-9.83049292 -40.21868170 -3.23428100
-0.00040090 -0.00000129 -0.00027680
-10.62025162 -41.29465758 -0.68229367
0.00022498 -0.00037452 -0.00106332
2.83452729 4.89764732 -18.54690076
-0.00020300 -0.00049076 0.00037786
4.21241898 2.83426197 -19.97090401
-0.00001701 0.00075347 -0.00054923
9.20823550 -9.60846473 13.36968990
-0.00022617 0.00001983 -0.00004849
8.24840457 -11.29024277 10.78399109
-0.00040866 0.00003486 -0.00057709
7.57226172 -5.23403681 13.71384921
-0.00037489 -0.00006999 0.00069600
7.65581113 -6.24761987 16.12040557
-0.00062548 0.00018800 -0.00038562
-23.98094858 -8.29672616 -10.86450712
-0.00049908 -0.00044365 -0.00031805
-22.38169731 -10.39878887 -12.68670396
-0.00020490 0.00061646 0.00016584
-3.49336701 -8.10867614 -8.30491104
0.00022692 -0.00094673 0.00049907
-1.79511939 -5.66011207 -8.10339310
-0.00069441 0.00010745 -0.00007308
0.09344679 14.77945134 -2.73005288
-0.00014951 0.00038636 -0.00035434
1.27501131 13.66918396 -5.09980718
0.00063746 0.00047245 -0.00050899
2.65879879 1.85902841 -11.05703620
-0.00013134 0.00024001 -0.00032842
4.57209378 3.14056596 -12.91825055
0.00114154 0.00090469 0.00027130
4.61479243 -10.96864138 28.35940448
-0.00063943 -0.00029220 -0.00049925
3.77915144 -8.21585885 28.11669140
-0.00042394 -0.00111836 -0.00017048
-3.80568917 -0.26015097 -2.85419865
0.00084544 -0.00002014 -0.00001225
-5.41324305 -1.77544911 -5.03874575
0.00036953 0.00024872 -0.00006437
-10.21198174 -22.26039447 0.97377783
0.00001357 0.00014124 0.00058643
-12.04498302 -20.78543871 2.59603959
-0.00044938 0.00068532 -0.00060413
-17.41957803 0.80173935 24.18992803
0.00043588 -0.00075732 -0.00011663
-17.96121232 -1.53878794 26.11071637
-0.00018524 0.00098143 -0.00032514
20.27637101 3.11012469 -24.01311663
-0.00032714 0.00003744 0.00000521
22.70192525 2.58121456 -25.44170694
-0.00047321 0.00086345 -0.00024213
6.48012939 9.48953302 29.92879104
-0.00024572 -0.00025672 0.00136499
5.22012647 9.62090257 32.33985961
0.00002320 0.00063575 -0.00024119
17.87742119 -25.00982944 -10.22275826
0.00011970 0.00159013 0.00099518
16.65013333 -27.34989622 -9.35103862
0.00016520 -0.00004938 -0.00049590
-28.19271020 34.57415948 17.10649173
0.00048465 0.00021628 -0.00097293
-29.48854670 34.88611016 14.37324815
0.00043816 0.00041402 0.00091267
-13.10681697 -9.15031272 2.20409162
0.00048878 -0.00029616 0.00074320
-11.98279007 -6.70880375 3.44815312
-0.00013874 -0.00047767 -0.00023056
6.27154047 -47.79189651 -10.27188499
-0.00022649 0.00010781 -0.00003502
9.15560850 -48.19056469 -9.81089566
0.00031541 -0.00057389 0.00084066
11.67434937 12.75468575 9.36655668
-0.00059613 0.00087679 0.00027381
12.49503926 11.77596405 6.82927160
-0.00019569 0.00058328 0.00013186
-8.86644297 10.26639202 22.56972594
-0.00004134 -0.00051438 0.00073077
-6.79939090 11.02658019 20.71667114
-0.00071257 0.00021760 0.00020971
5.15591169 -8.88701816 15.94923501
-0.00032507 -0.00040781 0.00059649
2.85730818 -9.78236613 14.48015981
0.00073604 0.00023492 0.00001158
-6.52410546 21.16225278 8.05988601
-0.00040419 0.00116274 0.00043881
-8.67352522 22.58414088 8.73542846
0.00089816 0.00066907 0.00007677
23.97132053 0.42359503 15.32376099
0.00103601 0.00070496 0.00001243
24.62474481 2.91013732 16.57615131
-0.00014378 -0.00034599 -0.00077613
2.27985985 -4.23123459 6.89103843
-0.00016898 0.00005257 0.00042105
1.79812674 -6.94584034 8.07111074
-0.00045320 0.00083692 -0.00002800
29.37064508 9.14949998 -21.17896122
0.00106680 -0.00113978 0.00011956
29.35677236 6.48509390 -19.77717181
-0.00057235 -0.00028684 0.00007668
-9.75978382 15.72086718 -6.56709790
-0.00043292 -0.00006889 -0.00048051
-7.11307876 14.89673078 -7.03154682
-0.00135669 -0.00100497 0.00074535
9.79759184 13.12512181 -5.23515405
0.00041168 0.00061538 -0.00063625
12.55312718 12.73312030 -4.56261645
0.00035959 -0.00066709 0.00012840
-15.00217306 -19.24987802 5.33594059
0.00007311 0.00022967 0.00037450
-13.80956230 -21.66139819 6.66475959
-0.00019388 0.00125384 -0.00047779
-6.56756629 -16.47788252 10.81934437
-0.00068212 0.00019909 -0.00030679
-5.18422731 -18.02759392 12.78299907
0.00076049 -0.00079825 0.00013744
6.02770722 -4.36201028 -3.00791574
0.00077656 0.00018406 0.00039425
7.11111500 -7.20486306 -3.05884044
0.00036466 -0.00031929 -0.00033464
3.62836257 -13.76719237 17.00774867
0.00062058 0.00092157 0.00044385
4.99349696 -16.09121578 18.19472610
-0.00091781 -0.00014533 0.00047154
9.26608371 -15.22369471 32.49810046
0.00120288 -0.00065791 -0.00034516
10.49386112 -17.82983922 31.86331993
-0.00066396 0.00023125 -0.00023072
-2.58136034 -0.60651421 3.88363948
-0.00013643 0.00010305 -0.00026269
-1.32506734 1.34869528 2.01968640
-0.00013530 -0.00011975 0.00025826
-2.21801804 -4.97521329 5.89692263
-0.00005874 -0.00082022 -0.00033386
-4.80127600 -5.52549017 4.66797248
0.00061774 -0.00043558 -0.00000103
-23.51284341 32.95121727 6.07468564
0.00093470 0.00039992 0.00036641
-23.83666613 30.44454353 7.59686790
-0.00004095 0.00008247 -0.00054710
16.86448408 5.69765454 -1.53616351
-0.00040325 0.00025177 0.00101704
16.91874566 6.60759168 1.22509484
-0.00034008 -0.00037429 0.00050920
-7.69805650 11.13803849 10.23134452
-0.00017120 -0.00077884 -0.00023392
-8.85985474 9.70135582 12.69187445
-0.00000834 0.00131892 -0.00032992
8.19083245 4.81769939 -2.53484659
0.00020930 -0.00043298 -0.00051174
8.30922921 1.85383884 -2.31286530
-0.00023837 -0.00068701 -0.00026996
4.58000487 30.31673108 13.02589202
0.00054561 -0.00043933 -0.00053013
7.01399212 29.83460032 11.50000327
0.00026506 0.00027736 -0.00040835
-8.60868836 -1.70239382 -19.42222390
-0.00069903 0.00031103 0.00057320
-8.66351681 -3.22123090 -22.05764644
-0.00016055 0.00007687 -0.00037084
-2.92188053 12.01515983 -19.50154993
-0.00033587 0.00084907 0.00013668
-4.14385056 11.86333677 -16.73143851
0.00127108 0.00027145 0.00097518
-3.35774319 19.05278227 -1.49964732
0.00015704 -0.00008566 0.00079629
-2.78081840 17.95336105 1.33089107
0.00010395 0.00073853 -0.00059633
3.53535806 3.22464373 -3.00056878
0.00008568 0.00050276 -0.00067411
1.96236026 5.18463300 -4.50181893
0.00058429 -0.00080466 -0.00001009
-1.47779251 21.32493339 -13.86085319
-0.00093142 -0.00008831 0.00005396
-3.15517618 19.43244915 -12.25758088
-0.00058634 0.00022238 0.00039229
2.98643624 -2.22004517 22.64940797
0.00077492 0.00094534 -0.00022237
0.79212545 -4.00796930 22.25536767
-0.00024500 0.00083243 -0.00058813
-10.74560298 -14.14719738 3.68694763
-0.00078108 0.00074553 0.00028305
-13.61430205 -14.08602874 4.03229852
-0.00017809 0.00038465 0.00053393
-18.09820582 13.90623791 0.45474585
-0.00023658 0.00063701 0.00081924
-19.15790112 13.15497860 -2.05321059
-0.00067881 -0.00014317 -0.00002170
-1.41173839 -2.36606692 -5.77822852
-0.00076020 -0.00021089 -0.00125780
1.11000555 -3.64417920 -6.29293924
-0.00065933 0.00080707 -0.00079145
-9.03971518 -6.82834821 -2.26584217
0.00105897 -0.00008142 0.00046664
-11.18648870 -6.71680726 -0.11009060
-0.00044313 0.00074420 -0.00024493
20.83816666 6.44619305 -30.51314531
0.00009480 0.00027296 -0.00046319
21.10136412 3.77151224 -31.67452955
0.00082148 0.00004697 -0.00000394
-10.78473972 2.04820448 -11.89924227
0.00019641 -0.00004462 -0.00033980
-7.99420915 2.68842978 -12.47693952
-0.00001688 0.00022828 -0.00081471
14.29125709 -23.71086298 15.60231142
0.00035712 0.00003824 0.00016564
12.61676246 -23.94822646 17.99809614
-0.00035677 0.00002806 0.00046159
18.49425464 -19.22380037 8.62803782
-0.00014052 -0.00006858 -0.00022161
19.98829625 -20.30018997 6.32697676
-0.00037914 0.00067252 -0.00015371
-13.45056694 -14.78340147 -25.81497939
0.00051792 -0.00074366 0.00071639
-15.84282675 -12.74556052 -25.82981751
-0.00040978 -0.00066314 0.00010518
-9.28946718 -8.19379428 -16.49714065
0.00008656 0.00050480 -0.00029009
-8.76052787 -5.26818302 -16.60424901
0.00061661 0.00079105 -0.00003973
31.24804330 -5.23759761 3.96985627
-0.00023767 -0.00005041 0.00073850
29.12976263 -5.11170434 5.84183512
-0.00014436 -0.00116434 -0.00014742
-2.35694501 10.72071605 -3.57461369
-0.00042131 -0.00054655 -0.00012836
-3.54739819 8.33601518 -2.44535982
0.00067092 0.00028528 -0.00091900
8.02248460 -0.91811979 -13.96863202
0.00055611 -0.00088433 -0.00007461
8.18321313 -1.93187115 -16.76591870
0.00013191 0.00019264 -0.00040088
11.18398139 -1.40978292 -1.07851559
-0.00010754 0.00058917 0.00070918
9.44777900 -2.88137993 -2.78210319
-0.00067077 -0.00098059 0.00030093
11.69213293 7.50662349 -9.39317140
0.00001129 -0.00030228 -0.00030746
10.93599276 10.23835181 -9.37760700
0.00023962 -0.00018788 0.00028518
-3.06150697 -9.19912209 23.47020563
-0.00024670 -0.00159527 -0.00072095
-4.86488687 -11.34282574 23.36141911
-0.00090633 0.00005289 0.00050205
0.95494291 -24.05480901 5.83832187
-0.00056429 0.00011704 0.00060364
2.35767151 -23.34221711 8.40532699
-0.00097066 0.00017735 -0.00019360