First atomset in SCAN330 file ../mddata/s0016/md049.r
-13.22184243 -2.18465043 -18.50255530
0.00035496 -0.00021027 -0.00008532
-19.92870011 -0.30779200 4.77257359
0.00005896 0.00013460 -0.00006628
-5.17663574 -5.41559923 15.61796915
0.00013430 -0.00008611 0.00007757
2.50028912 15.81004257 21.20173199
0.00015347 -0.00043417 0.00003933
11.43063162 25.95952190 -9.63514868
-0.00022984 0.00006288 0.00042751
7.99620573 32.13752642 -2.96254800
0.00034146 -0.00002763 0.00030332
-23.18306631 22.89710635 -11.26248983
0.00049269 -0.00011494 0.00003780
7.99280376 13.65802492 -18.11049988
0.00002498 0.00034317 -0.00017681
3.70993189 -16.96159437 8.51841880
0.00013822 -0.00030926 -0.00000605
-2.51282976 -4.34426834 22.93769771
-0.00013647 -0.00012031 0.00019426
-16.51252310 -5.29009808 12.38397078
-0.00007930 -0.00006717 0.00011685
12.16269720 -2.13451209 -6.41098174
-0.00001885 -0.00005793 0.00013370
-9.55939054 -31.46763454 -5.81616100
-0.00015208 -0.00009772 0.00018035
19.40908983 -18.72399932 22.03630499
0.00000735 0.00019281 -0.00012771
0.58837048 -38.78594652 23.87113978
0.00019047 -0.00001032 -0.00031565
-5.04645559 -0.34874719 -0.05100616
-0.00021825 -0.00011269 -0.00011551
2.51799073 -4.52019067 14.85503777
-0.00019682 -0.00005540 -0.00023891
-1.09523624 0.52527663 7.32525645
0.00010610 -0.00013203 -0.00023667
-9.89316725 -2.92635338 21.90370636
-0.00011661 0.00018933 -0.00004680
-17.92827232 6.39933764 -22.62528967
0.00020593 -0.00013913 0.00050289
18.85898054 6.65500524 -5.76411839
0.00012780 -0.00003408 0.00007177
-16.60031444 19.42611811 -5.91277772
0.00013293 -0.00030211 -0.00002230
-7.69119597 -12.42452631 4.96518239
-0.00013225 0.00004329 -0.00027321
-0.10397356 -11.55639290 -4.23714283
0.00007197 -0.00021516 -0.00024889
-2.94251924 -12.19651693 14.73772718
-0.00008057 0.00013684 -0.00003615
33.98587149 14.50950272 9.87245390
0.00025075 -0.00006976 0.00016255
-0.03336311 -14.17917421 28.80121695
-0.00010261 -0.00016857 0.00027289
-9.67522526 -8.45271799 1.93585432
-0.00020983 0.00004332 -0.00030531
-4.08355060 -3.38902392 5.33935030
-0.00012787 0.00013869 0.00017288
-18.51218253 2.60629440 -12.07764463
-0.00032193 -0.00004831 -0.00014350
-8.18439589 6.87751445 -10.65978149
0.00012213 0.00000776 -0.00025596
12.25509878 2.22273324 -20.67690281
0.00024210 0.00001189 0.00007423
1.73117861 -4.37380718 2.87356095
0.00001430 0.00022066 -0.00020037
-28.68756973 -8.40665575 7.30095958
-0.00012934 0.00015995 0.00002836
19.34481894 -0.21071865 14.54378035
0.00004781 -0.00023908 -0.00013612
-15.31491254 4.24939854 -5.90674876
-0.00005776 -0.00036158 0.00012900
-17.01975765 21.86057915 8.80478477
-0.00026651 -0.00018969 0.00010845
8.77183092 15.15630183 -4.53055610
-0.00005717 0.00008065 0.00012625
-3.01472588 -8.16606527 -11.43371590
0.00021396 -0.00004116 0.00004692
2.69434247 -31.41991958 11.04849439
-0.00010140 0.00019551 0.00002327
-11.57881890 2.30175920 -2.58464421
0.00007863 0.00002525 0.00015655
-11.00640742 7.45653731 22.44910034
0.00031729 0.00000552 0.00018333
2.12631113 14.11416246 5.69520309
-0.00004048 -0.00011711 -0.00017179
13.36844326 17.58522521 6.44511746
-0.00043903 0.00015452 0.00005009
-33.69810016 12.04981202 -9.90152166
-0.00027170 0.00022998 -0.00032161
-6.22840255 14.72601515 -24.75816116
0.00034109 0.00010046 -0.00024923
2.23820809 10.15658089 -10.51440149
-0.00007045 -0.00005637 -0.00003206
16.42088500 -23.40306683 9.35372911
-0.00031971 -0.00021494 0.00029439
16.80707351 9.58138895 -23.55987908
-0.00031193 0.00000532 0.00011638
15.62030525 2.61405976 -6.57223616
-0.00014902 -0.00003581 -0.00016314
-20.37603423 21.27874293 -2.20461949
-0.00003427 -0.00011733 -0.00022817
-14.98706646 5.44303615 -17.88948785
-0.00001257 0.00033375 0.00006645
-14.22028919 -3.75178147 -22.89255467
-0.00035399 -0.00009618 -0.00012071
6.08243802 1.16690379 0.86161697
0.00027678 -0.00026741 -0.00034748
-24.46264418 4.09246842 -8.04757188
0.00003878 -0.00004038 0.00017719
17.28104919 -20.33791001 4.15919325
0.00022522 -0.00027887 0.00004122
6.52714496 -8.67392613 0.60444578
-0.00018243 0.00027797 -0.00004457
-12.43447410 8.96003420 -19.87044791
-0.00006005 -0.00001268 0.00021170
11.60422007 -19.76014750 -14.52863622
0.00033037 0.00022430 -0.00005229
-25.49838088 5.70315701 -13.32594706
0.00005184 0.00032180 -0.00006934
-10.73988680 -4.23442007 -10.95211431
0.00005321 0.00027570 -0.00000040
4.59258109 11.06432574 17.26456291
0.00019117 -0.00000315 0.00010455
-6.26959519 -16.77444243 7.49482361
-0.00003761 0.00006207 0.00016159
3.49592989 2.86728374 -5.90585012
-0.00005737 -0.00011593 0.00004690
-14.20438761 -3.05922046 -19.76907228
-0.00039765 0.00005704 0.00110688
-14.46178244 -1.50274307 -17.27861512
-0.00021033 -0.00007420 0.00022412
-20.47480634 -2.01089168 4.30951049
-0.00076041 -0.00063447 0.00028756
-18.85706348 -0.62134741 6.17248918
0.00015685 0.00023447 0.00038774
-6.80729321 -6.02305250 16.20425099
-0.00017868 0.00037025 -0.00028511
-4.41905081 -6.54609123 14.37944360
0.00058521 0.00114133 0.00006999
2.53072571 17.66351577 21.37773020
0.00002538 -0.00000513 0.00047570
3.75923285 15.60123571 19.98633050
-0.00037096 -0.00055785 0.00090542
9.95831697 26.35432455 -8.55032994
0.00075608 0.00063883 0.00010656
11.26776025 26.05351114 -11.51789142
0.00023951 0.00038425 0.00036048
9.69865880 31.96281423 -2.29979106
0.00043608 0.00055329 -0.00044499
6.89500417 31.94104232 -1.43527538
-0.00031362 0.00055203 0.00044427
-23.72875063 22.85486878 -13.16851776
-0.00010021 0.00065358 -0.00003052
-21.72969278 24.05151892 -11.14183238
-0.00004992 -0.00079580 0.00025447
7.79518424 14.72996193 -19.62106819
-0.00021823 0.00098306 0.00021545
9.10853002 12.26311647 -18.72940054
-0.00013459 -0.00031544 0.00091825
5.34906113 -17.39900002 7.90986182
0.00046640 0.00038892 -0.00069069
2.98064830 -15.97232257 7.19414124
0.00044488 -0.00049998 -0.00011399
-1.09683099 -4.63778609 21.75298360
-0.00015499 0.00049268 0.00033684
-3.31607277 -2.49473583 22.78962117
0.00068206 -0.00055374 -0.00093323
-17.74472693 -6.67746720 12.13593270
-0.00015038 -0.00005412 -0.00061834
-15.00473380 -5.99217283 11.91329914
-0.00004158 -0.00035968 0.00015924
11.81949416 -0.56486212 -7.14470814
-0.00031462 -0.00066666 -0.00046328
12.72689550 -3.09102777 -7.86144129
0.00077477 -0.00024829 -0.00021497
-11.37449218 -31.54795053 -5.02873183
-0.00033034 0.00068908 0.00032622
-8.49447955 -31.84672808 -4.33387952
0.00039286 0.00032696 0.00034580
19.18433502 -18.00384112 20.36501882
0.00005533 0.00061654 -0.00056266
21.17532617 -18.07290456 22.60458314
0.00079040 0.00037544 -0.00025395
2.45966175 -39.10540834 23.84183457
-0.00069062 -0.00000507 -0.00095241
0.50595377 -37.65428536 22.34150138
0.00082945 0.00096610 -0.00008152
-4.63781092 1.41816246 -0.81902267
-0.00035944 0.00002904 0.00002281
-6.65940765 -1.19894330 -0.73835677
-0.00038059 -0.00104997 0.00017974
2.06309593 -2.91373905 13.91111187
0.00067676 0.00009820 -0.00061704
2.36382964 -5.88034186 13.74274685
-0.00048354 0.00030010 0.00095557
-1.86011074 -0.81165129 6.37970251
0.00000461 0.00014209 -0.00081463
0.59430125 0.73150181 6.57829113
-0.00004708 0.00037476 0.00077899
-10.25467507 -2.56614542 20.14387131
-0.00042713 -0.00026716 -0.00071191
-8.66184704 -4.26077367 21.76225298
-0.00056069 -0.00014535 -0.00007406
-17.56916288 6.20864848 -20.86710774
-0.00101446 0.00085749 -0.00061544
-17.94062550 4.58329452 -23.34488004
-0.00007717 -0.00047764 -0.00016220
20.22699377 5.87055921 -6.72063148
0.00012796 0.00038771 0.00099085
17.44180686 5.47647249 -6.00378324
0.00042854 -0.00008599 0.00026637
-18.15753319 19.45098332 -6.90062155
-0.00077541 -0.00026393 -0.00066668
-15.14465478 20.24175424 -6.64694173
-0.00071431 0.00033487 -0.00037326
-6.54742998 -11.39341242 6.00208269
0.00001570 -0.00046010 -0.00016446
-6.98380467 -12.88501074 3.34346633
0.00069443 0.00035293 0.00032086
1.46707776 -12.16369060 -5.14675130
0.00029963 0.00072203 -0.00081780
0.57535324 -10.09261143 -3.25792678
-0.00013925 -0.00040098 0.00021490
-2.20348989 -11.53826405 16.36436396
-0.00018938 -0.00023814 -0.00060137
-3.66355755 -13.82604667 15.10320044
0.00055504 0.00073523 0.00046971
34.73803315 13.40077977 11.23349692
-0.00012326 -0.00053356 0.00009883
32.97399438 13.68927739 8.53917931
0.00002812 -0.00020935 0.00019280
-1.40628348 -14.92421736 29.81491402
0.00062340 -0.00103109 0.00046499
-0.01273576 -14.83750122 27.08446069
0.00020606 0.00053017 -0.00064100
-9.33786952 -9.78240900 3.03503688
-0.00007971 -0.00057541 -0.00010596
-9.96722345 -7.01941221 2.94371714
0.00046872 0.00012757 0.00057962
-5.49560981 -3.38202421 6.55805325
0.00014250 0.00001872 -0.00084103
-3.64971879 -5.15902793 5.26349587
-0.00049858 0.00037773 -0.00083044
-19.54205806 3.75431065 -13.28566340
0.00041475 -0.00044204 -0.00020304
-18.13160329 3.90609214 -10.66863801
0.00055723 0.00012746 -0.00058428
-8.13563665 6.82727389 -12.42285484
0.00084088 0.00028435 -0.00034590
-9.12286639 5.44488057 -10.13398113
-0.00007138 0.00101907 0.00095405
12.51841203 1.79128589 -22.41496377
-0.00024509 0.00070729 0.00042461
11.45118482 0.84267076 -19.79666469
-0.00078757 0.00001301 0.00037382
0.11410211 -4.30718114 1.83444219
0.00076537 0.00017034 -0.00051706
1.76133025 -6.13501863 3.87668688
0.00108506 0.00074347 0.00015434
-27.92142027 -7.93099815 8.93711293
-0.00036393 -0.00055502 0.00008910
-30.32971900 -7.50816747 7.32578231
0.00008316 0.00041170 -0.00001216
21.10990245 -0.41179980 13.75634201
-0.00170744 -0.00099506 -0.00000062
18.77672763 -1.91354354 15.20818662
0.00027959 -0.00082641 0.00072583
-15.35006902 5.91463230 -4.97567520
-0.00003878 -0.00099815 -0.00022361
-17.03490877 3.67949472 -5.83576726
-0.00067888 -0.00031463 0.00070221
-16.89066328 23.13182118 10.11477260
-0.00138007 -0.00048866 -0.00102432
-16.77265432 20.19271722 9.84866537
0.00064762 0.00038685 0.00017559
7.95863676 13.80801131 -5.49297034
-0.00013749 -0.00050754 0.00053682
8.09417735 16.70721436 -5.15220998
-0.00039102 -0.00061518 0.00033840
-3.11889094 -9.87023087 -10.62790731
-0.00060619 -0.00027683 -0.00016510
-1.09729877 -7.99804931 -11.32055347
-0.00019955 -0.00003243 0.00029280
2.56752172 -33.13386153 11.67518424
0.00074568 -0.00019921 0.00010730
2.42337691 -31.58688566 9.17590379
0.00024690 0.00079272 0.00047275
-12.70969165 2.93098438 -3.99484762
-0.00077684 0.00015091 -0.00026123
-10.16321476 1.43508465 -3.37390564
-0.00046857 -0.00006129 -0.00011015
-10.66988154 5.73214437 22.18345132
-0.00023385 -0.00042728 -0.00021680
-9.36995931 8.44020629 22.74632333
0.00046848 -0.00029567 -0.00030155
3.49539024 13.16940348 5.00435974
0.00009767 0.00098495 -0.00104418
0.71163530 12.98801657 5.27040841
0.00018827 -0.00040886 -0.00141628
12.13526930 19.10986742 6.29397425
0.00033907 0.00020053 -0.00016353
12.54477464 16.33104354 7.56941367
-0.00090896 -0.00013926 0.00033095
-33.07788039 10.32382563 -9.93952354
0.00117197 -0.00010171 -0.00112079
-33.27064536 12.96405767 -8.33475565
-0.00051647 0.00023045 -0.00067651
-7.37187855 15.24271922 -23.19999767
0.00026814 -0.00003762 -0.00025808
-4.89019415 15.92140984 -24.83063267
0.00073913 0.00018214 -0.00023431
0.53530071 10.25048080 -9.59928703
0.00015447 -0.00023952 0.00035789
1.82537269 9.17692064 -11.99927077
-0.00079320 0.00002879 0.00050915
17.19051265 -22.05020679 8.31258995
0.00091447 0.00020259 0.00000098
17.13561580 -23.45518026 11.15015545
0.00001658 -0.00063943 0.00088151
17.47852854 11.18222999 -24.45374245
0.00058151 -0.00046236 0.00051874
18.03821185 8.15376499 -23.35140319
-0.00011822 -0.00063016 0.00097501
14.09385500 2.53716729 -7.58371640
0.00005789 0.00051441 -0.00064493
17.01992918 1.78328728 -7.38045672
-0.00047527 0.00045941 -0.00011038
-19.47463217 21.97395281 -0.81937512
-0.00052866 0.00022215 -0.00024490
-18.94357865 20.92460355 -3.25321493
-0.00051125 -0.00001839 -0.00013821
-13.98449796 6.96443270 -18.35809042
-0.00014894 -0.00010736 0.00051605
-14.69101697 4.23651882 -19.34475463
-0.00048771 -0.00006457 -0.00131733
-14.98864397 -5.32502046 -23.56224290
-0.00085556 0.00004735 0.00009263
-12.49453576 -3.65116239 -23.76769339
0.00021873 0.00015935 -0.00020981
5.29896999 0.59448112 2.38130570
-0.00013310 0.00003870 0.00052275
7.73629149 0.31768441 0.77443956
0.00023104 0.00017818 -0.00045035
-25.69390800 2.67075612 -8.02663031
0.00055607 0.00108289 0.00025111
-25.03104699 4.93373432 -9.56077033
-0.00062443 0.00030374 0.00140472
18.14247576 -21.65436931 3.19045694
-0.00078622 0.00014856 -0.00050599
15.60821368 -20.51866474 3.48997098
-0.00009232 -0.00003733 0.00008551
4.64868946 -8.30745217 0.15328116
0.00082149 0.00064096 0.00069512
7.34229138 -8.88390247 -1.12646588
0.00029697 0.00010625 0.00008529
-11.04259848 9.80712387 -18.92471277
0.00010258 -0.00015497 -0.00024666
-11.70232057 8.11618959 -21.41147840
0.00050253 -0.00003740 -0.00061070
10.46747656 -19.13830402 -15.83391010
0.00044148 -0.00006866 -0.00028160
13.11406155 -20.37088306 -15.34365236
-0.00025848 0.00006980 -0.00043829
-24.97815675 4.00345716 -13.96824974
0.00005447 0.00102318 0.00092091
-27.33244159 5.80615770 -13.88243897
-0.00058489 -0.00022470 -0.00081330
-9.86459381 -5.81760626 -11.19878925
-0.00010116 -0.00044852 0.00105887
-9.79040945 -3.15228554 -12.13200727
-0.00012452 0.00020104 -0.00026688
4.30289422 10.81202582 15.49244241
0.00052413 -0.00008241 0.00008412
5.86734357 9.95461746 17.90379721
-0.00078436 0.00011770 0.00056653
-6.70440778 -15.15695710 6.85373834
0.00122612 0.00088807 -0.00015694
-5.99020311 -17.96290700 6.05517637
-0.00064695 0.00048478 0.00062593
2.26210904 3.61424302 -6.96790709
-0.00050148 0.00093244 -0.00060854
2.65624706 1.67190260 -4.85016634
-0.00026328 0.00050432 0.00129746