First atomset in SCAN330 file ../mddata/s0030/md064.r
10.48191949 10.78633283 -10.17414323
-0.00013890 0.00017117 0.00000154
13.98228775 -5.81565821 24.94581358
-0.00009049 0.00016832 -0.00007178
8.70596819 7.41408576 -13.48691427
0.00025536 -0.00029146 0.00000213
34.85617176 -17.94632255 -0.09767155
0.00039520 0.00030466 0.00000743
-5.18702485 11.28933186 -28.47048811
-0.00011053 0.00018067 -0.00002489
11.19652291 11.14736742 -1.38828707
-0.00037517 -0.00006313 -0.00031941
-2.49087908 13.04606399 -8.95443084
0.00008145 0.00035289 0.00012649
23.65847762 -6.28574177 6.27282087
-0.00031616 -0.00018748 0.00033325
-22.10165736 -0.78566497 15.62427597
0.00002894 0.00005578 0.00013715
-5.85756964 -12.78575255 -11.57649470
0.00016061 0.00020022 0.00012294
-3.63937572 -13.78954875 4.58264812
-0.00004094 -0.00015656 -0.00005296
-12.03717098 23.79420010 19.81723314
-0.00002188 -0.00022940 -0.00017414
-20.37446870 12.66428252 -10.87896480
0.00020424 0.00007153 -0.00023007
-23.48399952 18.05142480 -22.75943173
-0.00017659 0.00014838 -0.00000199
23.16648432 2.80786291 -4.52219387
0.00000315 -0.00039428 0.00009678
-34.95719581 22.60517654 31.75681676
0.00048878 0.00014728 0.00003026
-7.05571484 12.94524045 30.50287101
0.00019644 0.00003309 -0.00007460
22.60723132 -9.26141931 -2.46773666
0.00002902 -0.00031509 0.00006481
-4.96862702 18.01597467 -2.07299599
-0.00034128 0.00004440 -0.00014680
15.49601313 -40.79390874 -12.96688014
0.00008487 -0.00019673 0.00017131
22.19385240 7.85045178 -11.12026286
-0.00021204 0.00014800 0.00002022
11.67640500 -7.03521521 -26.40382476
-0.00008671 0.00013408 0.00011881
18.70565514 -5.57641469 -15.59265802
0.00034970 0.00000677 0.00018069
-1.46950655 0.35751709 10.98661195
0.00051348 -0.00004672 -0.00015993
22.55413063 -5.81103890 -30.14195613
0.00001567 0.00010113 0.00024508
5.73969874 23.22216666 13.13504702
0.00019332 -0.00007004 0.00020784
26.79013430 2.26692053 4.21861603
-0.00012722 0.00007432 -0.00015769
-21.44764932 7.59340814 -0.24057689
-0.00030679 0.00018385 -0.00015593
-7.18945364 -0.90867499 -2.30448308
0.00025233 -0.00011638 -0.00007079
-9.74502738 14.81868445 -11.40616966
-0.00017152 -0.00016655 0.00009275
3.05187869 -12.41523331 -3.89849640
-0.00022613 0.00036217 0.00011963
10.85240875 4.99624235 -5.91445506
0.00004128 0.00008159 0.00017338
15.72797904 -44.40732056 4.22299038
-0.00010095 0.00000750 0.00026759
0.68476342 28.22557722 8.04027514
-0.00016538 0.00040076 0.00028258
7.48926430 -5.89134931 -4.88488870
0.00001794 0.00001485 -0.00018662
-5.31262465 27.90808187 17.72928214
-0.00023218 0.00017856 -0.00019390
12.16895538 4.34940449 -16.08945489
-0.00001051 -0.00005005 -0.00023067
-8.62076427 -7.60709520 -6.40622059
-0.00004437 0.00021207 -0.00011095
-15.88318689 -23.49164615 5.74101149
-0.00029403 -0.00002378 0.00020086
18.24397310 -28.85969828 -9.38610857
0.00026285 0.00006863 -0.00011529
4.60375676 -3.48431242 -15.01182581
0.00012249 0.00046215 -0.00029866
9.86416686 -2.56852220 15.62792148
0.00019460 -0.00024086 0.00034205
5.21878220 26.88143412 -24.93791158
0.00000008 -0.00003083 0.00003615
2.43558059 -17.06069360 -7.36389868
-0.00026966 0.00007394 -0.00016925
6.56851159 -19.08608471 14.57734359
-0.00026423 0.00011656 -0.00025121
-26.55592845 8.68854243 -24.14669794
-0.00005368 0.00013887 -0.00000339
-9.91607653 9.14591408 -5.49906325
-0.00019093 0.00002490 -0.00007200
7.23982113 -9.27426058 -19.85029161
0.00039012 -0.00011570 0.00004522
19.38752865 -18.03642935 -16.39674476
0.00015158 0.00026421 -0.00001052
3.94534341 -14.65138774 8.74617132
-0.00014345 0.00001193 0.00005505
10.23257635 -5.96793440 10.31862159
0.00004644 -0.00020921 -0.00011348
12.62449913 -10.59265920 26.52991905
-0.00014888 -0.00025602 0.00014689
5.73028136 -8.57562772 -14.68151948
-0.00012585 -0.00024004 0.00017549
-21.83231360 -11.17288407 28.68430149
0.00007028 -0.00016098 -0.00010712
-29.07848146 -21.25799898 12.78164621
0.00021205 -0.00016433 0.00009543
-6.74126744 5.03242519 23.44046246
0.00000008 -0.00001585 -0.00010757
15.77538933 20.62094573 -18.32324201
-0.00008105 -0.00006219 0.00008901
29.80323664 13.29270025 16.27130231
0.00009248 -0.00017633 -0.00006467
31.79510095 -1.47121288 47.66516379
-0.00002713 0.00003876 -0.00011988
29.83549876 -13.34235894 0.46736274
0.00038048 -0.00003847 0.00008456
14.48681358 -25.08169906 -10.63236162
0.00006785 -0.00003107 0.00015669
-42.09615700 -16.45942914 4.17383586
-0.00008869 0.00008948 -0.00024334
1.15331980 0.31681169 -0.25671090
0.00017501 -0.00001833 -0.00009663
-18.18309483 -6.01654390 23.43655389
-0.00036612 0.00011015 -0.00014042
11.81678177 12.14783864 -10.33324170
-0.00090625 -0.00060160 -0.00038208
11.08972534 9.68751191 -8.73285410
0.00001611 -0.00052773 0.00033389
13.69926499 -7.66485498 25.59550892
0.00010303 0.00012874 0.00012750
14.72431960 -4.87836271 26.36744768
0.00024232 -0.00022890 -0.00033980
9.70316929 8.68485110 -12.40805230
-0.00004571 -0.00069132 0.00024620
10.04501746 6.95434294 -14.75960274
-0.00034306 0.00071092 -0.00042098
34.12724141 -16.92610181 1.28862972
0.00051336 0.00020590 0.00009187
33.65504617 -17.98268448 -1.34411299
-0.00091070 0.00062886 0.00051454
-4.06025309 11.39038840 -29.95210703
-0.00014882 0.00080514 0.00038991
-6.43762374 9.92405806 -28.87434824
0.00027873 -0.00045630 0.00041319
9.49984833 10.59603630 -0.70722704
0.00014396 -0.00042579 -0.00026820
10.95824821 12.99194310 -1.71603809
0.00045615 -0.00003077 -0.00020699
-0.72221660 12.74181517 -9.32269128
-0.00011165 0.00036642 -0.00011892
-2.48714233 14.85177844 -8.56811621
-0.00054567 -0.00058924 0.00006722
25.19924883 -5.30168611 6.72021456
0.00023822 0.00042577 -0.00018266
24.09545126 -8.07317353 6.73162512
-0.00019494 -0.00057289 -0.00033914
-22.89089507 -0.52928777 14.04112337
0.00010952 0.00005866 0.00063559
-20.30065269 -0.70233496 15.09798019
-0.00013850 0.00066867 -0.00032042
-5.19709720 -11.30449349 -10.76547584
0.00020556 0.00014549 0.00008478
-5.96483929 -12.34830155 -13.40274406
0.00031145 0.00069362 -0.00126463
-5.04319902 -12.66695389 4.92032428
0.00048254 -0.00039422 -0.00000673
-3.66865932 -14.24928299 2.80402399
-0.00078255 -0.00023500 0.00107354
-10.26354046 23.67099276 20.33785391
0.00034397 -0.00035393 0.00011125
-12.86863907 23.65550590 21.40205479
-0.00069867 -0.00015061 -0.00086631
-20.83006855 10.96430476 -11.52715842
-0.00048887 0.00009533 -0.00065039
-19.19798668 12.46126152 -9.46528981
0.00085899 0.00029588 -0.00021471
-23.68105648 17.82270265 -20.95613420
0.00003266 0.00023515 -0.00105747
-23.79166407 16.43236689 -23.53662145
0.00069907 -0.00006745 0.00011116
23.89277507 2.59652851 -2.90628816
0.00060493 0.00062740 0.00039818
23.80647998 1.51062862 -5.61578070
0.00034418 -0.00034515 0.00036396
-34.11744038 22.72781807 33.41424195
0.00002860 -0.00041341 0.00091380
-33.66428529 22.01771267 30.69350275
0.00010860 -0.00057401 -0.00068042
-6.33065201 14.75702587 30.77773327
-0.00047303 -0.00059733 -0.00065938
-8.42792681 12.95866280 29.29016500
-0.00006242 -0.00063455 -0.00021118
24.21158836 -10.27236713 -2.94286875
-0.00002245 -0.00020415 -0.00009825
21.18743954 -10.39726804 -2.57466915
0.00006588 -0.00072834 0.00155059
-6.29334592 17.61012213 -0.83173622
0.00000579 -0.00017772 -0.00085881
-3.39049576 18.34026512 -1.18987446
0.00024494 0.00026156 -0.00033873
15.81647207 -39.13953216 -12.20036044
-0.00046219 -0.00039805 0.00022547
17.17161678 -41.00002648 -14.02679725
-0.00007454 -0.00010202 0.00018363
21.80958756 6.41152514 -12.06293545
-0.00002417 -0.00029638 -0.00115369
20.88184793 9.05964354 -11.51880309
-0.00007359 0.00077026 -0.00034679
12.54781315 -5.85784571 -25.27217303
0.00054189 -0.00109080 0.00008376
12.71505410 -7.14975643 -27.88319518
0.00022185 0.00001264 -0.00058870
20.54718746 -5.89392975 -16.13354016
0.00002057 -0.00024577 0.00038121
18.63677962 -5.33673238 -13.80546310
-0.00031761 0.00055240 0.00042305
-3.13883074 0.79866033 11.71126694
0.00077050 0.00003975 -0.00029789
-0.75125092 1.94085351 10.28868320
-0.00017016 -0.00055647 0.00030117
22.28124045 -6.87356160 -28.55489782
-0.00068741 -0.00043878 -0.00031601
23.61269392 -4.40980850 -29.72010300
0.00010564 -0.00078347 -0.00006584
5.94363315 25.03790237 13.05738775
-0.00013976 0.00017998 0.00068191
7.38574877 22.37965516 13.49239106
-0.00004564 0.00011746 -0.00021926
27.27726498 4.15649889 4.21063797
0.00043876 0.00165482 -0.00045021
28.23202176 1.28307459 4.70001490
0.00020820 0.00048854 -0.00082986
-21.42673510 7.42182364 1.61840043
0.00076137 0.00013903 0.00062448
-20.14867797 6.44075946 -0.81312053
0.00050785 -0.00009659 -0.00016317
-6.15257339 0.50081435 -2.86835861
-0.00026483 0.00033245 -0.00006280
-6.02358530 -2.33142517 -2.47570218
-0.00014205 -0.00082105 0.00014552
-10.60380506 16.07940921 -12.48816953
0.00013074 0.00000786 -0.00149807
-8.55527181 14.16857278 -12.65415474
-0.00028346 0.00055492 0.00075648
2.89442698 -14.24262355 -4.27475428
-0.00050535 0.00030473 -0.00028134
4.35268584 -11.77588552 -5.05763676
-0.00077187 -0.00018333 -0.00066715
11.37348200 3.26316018 -5.42757067
-0.00038932 -0.00060221 0.00069058
9.05294691 4.79476080 -6.36468592
-0.00074622 -0.00053755 0.00015574
16.46008160 -43.72813702 2.59754120
0.00007650 -0.00055736 -0.00017646
14.60209854 -43.12952533 4.86711429
-0.00063163 0.00046292 -0.00034599
-1.12602883 28.63096556 7.60065458
-0.00009520 -0.00056767 0.00024992
1.30469985 27.14090880 6.71145104
-0.00010473 0.00037148 -0.00001715
8.04079526 -4.75938123 -6.17907599
0.00031494 0.00040461 -0.00049882
8.92834216 -6.69395494 -4.25502342
-0.00066975 0.00010824 0.00063308
-6.21473870 27.91426903 19.32931030
-0.00055080 0.00017161 -0.00046355
-3.51294018 27.76382722 18.00937502
-0.00012240 0.00078887 -0.00103480
13.16472391 5.25372789 -14.62580500
0.00041398 0.00065172 0.00060825
11.66557281 2.60106058 -15.45435150
0.00024146 0.00029532 0.00068273
-9.22865203 -8.45445759 -7.90881379
0.00015276 -0.00005875 0.00050360
-7.49663758 -8.99857727 -5.57953427
0.00020551 -0.00001078 0.00023963
-14.34584182 -23.79573794 6.86127247
-0.00078642 0.00003034 -0.00066747
-15.10107361 -24.12437584 4.26032176
-0.00038449 0.00044748 0.00050407
19.70662207 -28.29509389 -8.49076674
0.00028251 0.00010019 -0.00045141
17.19949380 -29.40696644 -8.14108724
0.00049597 -0.00062238 -0.00020080
5.30797001 -2.23282942 -16.27216726
-0.00049712 -0.00033813 -0.00022309
4.83225258 -2.79283411 -13.29317297
0.00056804 -0.00030611 -0.00044302
10.33290223 -1.43830897 17.07243463
-0.00154540 0.00001326 0.00089856
11.51619138 -2.72146001 14.77687390
-0.00033993 -0.00017484 0.00046604
5.66780502 26.94076115 -23.11721811
-0.00023694 -0.00049757 -0.00148405
4.05121135 25.49394160 -24.93759977
0.00058452 -0.00043477 -0.00049670
1.71432034 -18.35965555 -6.21971984
0.00078664 -0.00057246 0.00081109
0.84488384 -16.36954812 -8.19197353
-0.00054322 -0.00036391 -0.00070540
7.59872146 -18.00784296 13.41291591
0.00042505 -0.00075160 0.00051168
4.99776118 -18.18290006 14.99249637
-0.00097779 -0.00012269 0.00050438
-24.76810080 8.35459361 -24.51019838
0.00031051 -0.00065613 0.00012423
-27.32521464 9.45493199 -25.70666634
-0.00012609 0.00140903 -0.00008596
-10.39650392 7.41527602 -5.49385541
-0.00016890 -0.00043866 0.00018110
-10.86730070 9.89951255 -4.05629707
0.00005151 -0.00010759 -0.00087525
6.63676623 -9.33804511 -18.10302868
-0.00058187 -0.00048515 0.00059622
6.27604805 -7.96015314 -20.82167490
0.00056732 -0.00018019 0.00007695
19.01216080 -16.45974153 -17.41349086
0.00011184 -0.00030132 0.00024859
18.39880576 -19.29920207 -17.30201270
-0.00037064 0.00000637 0.00023011
2.72949695 -16.10939562 8.79472031
-0.00056301 -0.00022498 0.00055693
5.65231036 -15.16224165 9.36192895
-0.00069598 -0.00073983 0.00064320
10.20823518 -4.83862269 8.96193805
0.00034632 -0.00014160 0.00011752
8.83080595 -7.14202750 10.07591171
-0.00047350 0.00052729 -0.00021357
10.83585935 -10.18225432 26.91738144
0.00002981 -0.00028608 0.00031436
12.52730795 -11.43450970 24.87307217
0.00066112 -0.00029010 0.00016030
5.53693718 -6.85230745 -14.54653097
-0.00056180 0.00015402 -0.00008501
4.71949693 -9.38146455 -13.28973045
0.00015728 0.00024631 0.00054685
-20.99485109 -12.22894855 29.94257688
0.00022830 0.00003350 0.00006574
-23.35439749 -12.13253898 28.55376325
0.00071876 -0.00040609 -0.00009992
-28.96844926 -20.86217417 14.53651104
-0.00057097 -0.00178420 -0.00017261
-30.22364445 -19.82691756 12.21259074
-0.00051096 -0.00003453 0.00087848
-5.51832480 6.32563668 22.96862189
-0.00036372 0.00042686 0.00072582
-8.40199510 5.74008266 23.01874476
-0.00029059 0.00008969 -0.00057284
16.35963339 22.28169312 -18.84078827
0.00016938 -0.00067094 0.00050311
17.21004926 19.62450171 -17.69061614
-0.00004997 -0.00009622 -0.00064748
30.29684004 14.97832590 17.04535391
-0.00008347 0.00057952 -0.00024318
31.44378018 12.69507472 15.61057059
0.00022709 -0.00002562 -0.00025928
33.15431257 -2.66115991 48.32779993
0.00040826 -0.00007057 0.00083590
30.46960382 -2.64279242 47.14496742
0.00026756 -0.00017518 0.00121589
28.57666681 -13.23045288 -0.80442144
0.00051801 -0.00012520 0.00027982
29.67832720 -11.74749891 1.44602112
0.00000034 -0.00022008 0.00047095
15.33260596 -23.38805782 -10.49458476
0.00107225 -0.00095310 0.00046047
15.92351494 -26.27760989 -10.50786931
0.00044322 -0.00018827 0.00000183
-41.38004982 -15.29216102 2.88279660
0.00152376 0.00004219 0.00003271
-42.02622742 -15.71997838 6.02679143
-0.00061056 0.00060979 0.00039440
1.48533771 0.90448026 1.53583786
0.00029137 -0.00005009 -0.00111080
0.48601633 -1.34713126 -0.18126216
-0.00029176 0.00067358 -0.00010938
-19.96830673 -5.66347889 23.70384780
0.00084221 0.00033562 0.00037722
-17.80037874 -5.99777917 21.68754789
0.00010852 -0.00016793 -0.00025167