First atomset in SCAN330 file ../mddata/s0014/md066.r
-8.65380906 -6.50368068 -10.99422477
-0.00000580 -0.00015917 0.00030895
-4.31201713 -11.27720819 9.73047110
0.00002093 0.00001140 -0.00026765
-30.45026177 12.44399626 -4.05313842
-0.00001585 0.00029726 0.00008627
-19.42328992 3.21539632 24.95314618
-0.00010900 0.00027518 0.00022287
1.38752609 -24.61765618 1.53520200
-0.00004895 0.00043500 -0.00008119
16.45951156 -7.68750307 -15.53538994
0.00017527 0.00004405 0.00000457
20.18668045 -20.47824731 1.72143302
0.00008089 -0.00007973 -0.00022807
-35.38708597 16.04198077 6.52888630
0.00033152 -0.00000129 0.00004353
28.53637801 -27.46553596 3.08788821
-0.00006241 0.00041260 -0.00019472
-22.64798416 0.45626759 14.10844276
-0.00021553 0.00022992 0.00025822
0.60246229 14.08837877 11.92133784
-0.00002232 -0.00022694 0.00011746
10.78521895 -3.03854210 -14.78427780
0.00016407 0.00027220 -0.00001252
4.33585655 -11.84056992 -14.20016929
0.00001171 -0.00037090 0.00017621
7.52739288 0.56514203 4.23661548
0.00018579 -0.00011877 -0.00024575
-2.73963064 5.11904239 20.28043817
-0.00018866 0.00002286 -0.00027773
3.34614028 11.66146910 -22.94583099
-0.00008975 0.00026221 0.00011269
15.34695637 -16.59745454 -4.32292583
0.00019650 0.00006555 -0.00027398
10.95424684 6.63009372 -21.93865426
0.00023221 0.00008970 -0.00016801
-22.25224050 6.58789396 27.17343257
-0.00014619 0.00021604 -0.00008980
-4.73000598 0.90346029 -16.11908344
0.00018118 0.00023647 0.00011092
-0.00214785 28.93861321 -14.34462618
0.00003173 -0.00033390 -0.00056955
11.33215692 -8.41475345 -22.10647786
-0.00013258 -0.00008583 -0.00007079
13.66579988 5.67948818 5.83883102
0.00026212 0.00006610 -0.00022216
6.07651095 -7.42446514 -24.03713157
0.00000145 -0.00022634 -0.00016344
-0.64238866 -13.76599844 21.75857661
0.00017178 0.00004825 0.00008699
7.39199270 18.74804895 11.69217581
-0.00011440 -0.00035122 0.00012072
-2.26701207 -3.82384539 14.37432542
-0.00059810 -0.00018923 -0.00031179
21.98418770 9.08449472 -8.26090911
-0.00036720 0.00011838 -0.00014510
20.76504734 15.53926780 3.54942362
-0.00017422 -0.00022836 0.00014355
-8.74203871 -12.79908762 0.74361778
0.00027248 0.00003832 0.00011118
-3.87249925 -38.64814217 2.51705745
0.00006989 0.00017304 0.00009576
-10.89660889 -23.49497197 27.37776084
-0.00003232 0.00020226 0.00004416
-14.74791270 -24.09826663 -4.08891502
-0.00018772 0.00011090 0.00020752
0.88402490 11.32762786 28.63168134
-0.00025223 0.00027714 0.00011262
3.63007423 -15.02001402 -5.64009887
0.00021198 -0.00000660 -0.00014890
-2.76666762 4.65157408 -9.60020721
0.00026188 0.00000730 0.00009611
-16.79539389 3.73069628 -11.73794473
-0.00001868 -0.00001369 -0.00001301
-17.80954100 -10.30463601 -5.62582465
-0.00021788 -0.00022259 0.00015859
-15.78794511 10.21009313 3.27158210
-0.00032026 -0.00036360 -0.00002653
-7.06121588 -10.98706729 14.28949472
0.00020368 -0.00032788 0.00022172
18.34606889 -0.51148581 18.97063602
-0.00008278 0.00028068 -0.00016059
16.11818684 -19.62598956 14.76008910
0.00019350 -0.00034961 -0.00004403
16.06361022 20.00934372 3.38362239
0.00001481 -0.00012113 0.00034326
5.68681371 23.33066097 -8.46009932
0.00003549 -0.00014660 0.00017163
0.91948061 -30.18854170 -6.70143164
-0.00011313 -0.00013112 -0.00000184
3.52462298 1.69038783 7.45013199
0.00012235 0.00015502 0.00032544
-10.98138350 10.25918711 -11.66383657
-0.00021307 -0.00020297 0.00011621
-12.29769246 -5.35875147 -5.48594882
-0.00018007 0.00027444 0.00004991
9.24568867 11.84413653 8.01703977
0.00006080 0.00019491 0.00015700
21.56287339 -5.24245578 9.01152313
-0.00012461 0.00007002 -0.00000136
-20.27392411 31.02898675 -11.28870487
-0.00008511 -0.00019208 0.00003213
14.17778676 -2.01527879 15.62301837
-0.00009747 -0.00021002 0.00000344
-17.70784702 4.10774397 -3.34640435
0.00004333 0.00019548 -0.00020065
20.68430845 20.88956926 -19.68927201
-0.00033520 -0.00025439 0.00013037
-0.04345624 -0.51651448 -3.24913130
0.00001859 0.00004310 0.00011511
2.97612049 -26.99227996 8.44279935
0.00024920 0.00001024 -0.00009394
-11.79294855 27.48777383 10.27520735
0.00006334 0.00010898 0.00017925
4.15457848 -3.87397348 -3.55102305
-0.00021650 0.00005126 -0.00020269
-14.56169945 14.82862203 -9.01384249
0.00028273 -0.00050179 -0.00003275
10.91008502 4.17842482 20.26757566
-0.00010613 -0.00001281 0.00030707
-7.99253039 19.33932090 21.04966206
-0.00001352 0.00007021 0.00005574
21.06270020 -8.90451887 -2.58649860
-0.00012906 -0.00003367 -0.00017137
-8.93373989 -0.20882970 -12.92617001
0.00000435 -0.00023436 0.00004150
-4.49084086 -16.20439570 -16.25471237
0.00008205 0.00009880 -0.00006407
-8.17390854 -7.80935541 -9.67505320
-0.00110050 0.00006335 -0.00032346
-8.87975894 -4.87076939 -10.04987723
0.00013870 -0.00061775 -0.00005967
-5.14139191 -9.73712270 8.89451086
-0.00058108 0.00010579 0.00053588
-2.53504341 -10.72669500 10.17812549
-0.00019384 -0.00079322 0.00031872
-29.08289232 13.63657075 -3.87942740
-0.00041539 0.00036236 -0.00024191
-30.47170643 12.25884432 -5.88332425
-0.00008612 0.00067316 -0.00004619
-18.25916153 2.41214945 26.07399847
-0.00078062 0.00032080 0.00050115
-18.53297394 3.54399527 23.36812491
0.00039432 0.00036586 0.00022838
2.13251518 -22.87297088 1.83668449
0.00037513 0.00051210 0.00095928
0.70248610 -24.51693013 -0.11923141
0.00064615 -0.00085048 0.00059114
16.26609224 -6.81664824 -13.87932980
0.00052317 0.00068631 -0.00041459
14.60152312 -8.15789843 -15.92911403
0.00044121 0.00021556 -0.00024300
19.26568080 -18.98095303 2.16114728
-0.00056954 -0.00023838 0.00021340
20.66156161 -20.18483715 -0.11133538
-0.00034428 -0.00046672 -0.00059342
-35.23178748 16.22877666 4.63280462
-0.00028542 0.00043778 -0.00019839
-35.75422308 17.72539597 7.36115016
-0.00097968 0.00027322 0.00024510
27.75319695 -27.60205152 4.79871466
0.00050060 -0.00099677 -0.00021126
27.05392976 -26.47659162 2.35589842
0.00033396 -0.00150704 -0.00052709
-20.92545800 0.13792572 14.72487308
-0.00010687 -0.00098703 0.00092785
-23.02703927 2.26989820 14.10948079
0.00035085 0.00089171 -0.00027707
0.20798009 15.48627598 10.82304911
0.00016668 -0.00080117 0.00030608
2.16945113 13.29744640 11.16108245
0.00085860 -0.00014371 -0.00045467
10.37155262 -2.14143675 -16.28008972
0.00045039 0.00019855 -0.00052123
12.48165717 -2.38132041 -14.28451046
-0.00052735 0.00067076 0.00034332
3.07861829 -12.21688403 -15.58119934
-0.00060974 -0.00043618 -0.00088493
4.52358009 -13.31778083 -13.08364855
-0.00035922 -0.00081506 0.00024383
7.00673452 -1.19622609 3.96395109
0.00080878 0.00043269 -0.00067028
9.27661253 0.38555408 4.71266210
0.00028095 -0.00020347 0.00003012
-4.16326367 6.01289689 19.57113074
0.00078005 -0.00008461 -0.00016504
-1.85299033 6.55511740 21.08282932
-0.00035652 0.00031288 0.00030560
4.40325158 13.05309928 -23.32890834
0.00047863 0.00006256 0.00016739
4.74244007 10.76309995 -22.09590874
0.00042064 -0.00064149 -0.00016464
15.77821030 -17.46530433 -5.93523997
-0.00035843 0.00073402 -0.00015084
14.98333334 -14.78441806 -4.56134200
0.00018062 -0.00005609 0.00050230
10.51084939 5.37943527 -23.15437519
0.00008439 -0.00070388 0.00077531
11.82431213 7.94090858 -22.86975989
-0.00076042 0.00001638 -0.00063180
-20.84653520 5.75532555 26.30599105
0.00022421 0.00027592 0.00009329
-23.74890855 5.66030986 26.55660181
0.00079844 -0.00019853 0.00072298
-4.33178934 0.22269325 -17.75150774
0.00024963 -0.00039118 0.00040363
-4.73452290 2.59682181 -16.62291926
-0.00021260 0.00041775 -0.00043514
-1.33655002 29.88672221 -14.96613033
0.00121808 -0.00038855 -0.00126623
0.50326797 27.70873797 -15.66271014
0.00082037 -0.00010574 -0.00063013
10.36548101 -9.54200770 -20.99671030
0.00045403 0.00021635 0.00024761
9.86650545 -7.73087442 -23.12139931
0.00015525 -0.00071803 -0.00013738
15.08715707 6.91684682 6.04145437
-0.00002601 0.00114891 0.00070374
12.72429886 6.48758475 4.45601370
0.00048621 0.00017447 -0.00034804
5.70862206 -6.38183113 -22.49055102
-0.00015003 0.00072436 -0.00016335
5.34614999 -6.59043619 -25.44965711
-0.00067902 0.00003690 0.00039136
-1.19451109 -12.04730945 21.49041708
0.00062747 -0.00101110 -0.00000654
1.05987095 -13.38014532 22.37646567
0.00013183 0.00044927 -0.00035602
8.03175262 17.31365426 12.82533576
-0.00025690 0.00012786 -0.00026207
8.70095012 19.36104070 10.66892441
0.00064481 0.00016731 0.00103280
-1.75730424 -2.09427357 14.43298180
0.00004058 0.00045509 -0.00047190
-3.88420111 -4.07020061 15.24688369
0.00044790 0.00014373 -0.00094768
21.18080625 10.78307865 -8.71109802
0.00027752 -0.00032992 0.00002351
23.44030821 9.29590958 -9.42523964
-0.00012422 0.00109289 -0.00075402
19.30398401 15.13745253 4.55689346
0.00036826 -0.00030333 -0.00022254
21.92480313 14.35677921 4.45954156
0.00067806 -0.00033333 -0.00055210
-7.33061232 -12.69191705 -0.53782166
0.00162882 -0.00052800 0.00069954
-9.74334903 -11.22433508 0.53710324
-0.00035860 -0.00055068 -0.00016238
-5.17095305 -37.93996739 1.38070218
-0.00031720 0.00041675 -0.00111928
-2.27341261 -38.37201465 1.39373795
0.00047874 0.00088585 -0.00084629
-9.66690787 -24.87437108 27.40385763
0.00000451 -0.00030513 -0.00041490
-10.06238936 -22.18853413 28.48926004
-0.00060132 -0.00031292 0.00051858
-15.80482760 -24.91568538 -2.81833502
-0.00004268 -0.00002789 0.00111919
-14.08456518 -25.51456955 -5.13711419
-0.00156738 -0.00019231 0.00019744
1.30475053 9.47620729 28.27855053
-0.00035453 0.00095563 -0.00105756
1.96748405 12.12614260 27.41649854
-0.00056141 0.00015622 -0.00017113
3.17488047 -15.75033782 -7.28778676
0.00063531 0.00053002 -0.00063671
2.01787228 -14.52126612 -4.74359440
0.00115060 -0.00053709 0.00055724
-2.25998317 4.95348369 -11.41261844
0.00013190 0.00051015 0.00005172
-2.42913668 6.30491611 -8.90190277
-0.00059657 -0.00136222 0.00010357
-17.11590036 2.50030753 -10.35403350
-0.00041086 -0.00021035 0.00014417
-17.69457753 3.13320941 -13.15589117
0.00007843 0.00028868 0.00077966
-18.21962127 -12.11753508 -5.96471950
-0.00058235 0.00015464 0.00006662
-19.37595432 -9.49376307 -5.32106573
0.00088863 0.00070887 0.00048221
-15.17871226 10.58920514 4.95247805
0.00064530 0.00064813 -0.00038236
-14.90958890 8.59422703 2.70332694
-0.00045229 -0.00086611 0.00008941
-5.91902343 -10.67175077 12.83595337
0.00006305 0.00027369 0.00002772
-8.68224168 -11.84533951 13.53001468
-0.00031313 -0.00155655 -0.00046974
17.74179883 -1.90358270 19.88962423
-0.00067448 -0.00025199 -0.00035458
17.63734566 1.05793010 19.61921131
0.00005166 0.00053716 0.00003986
17.97173935 -19.28951790 14.30467940
-0.00031711 0.00024940 0.00013340
15.31281020 -19.55865301 13.01048009
0.00064393 0.00020743 -0.00014295
15.93129321 18.96062220 4.91280121
0.00016173 0.00077490 0.00058168
17.74057511 20.76084442 3.63866406
-0.00131262 -0.00012045 0.00008256
6.36698446 23.31174722 -6.61141711
0.00016544 0.00054593 -0.00027264
6.36019823 21.79030147 -9.15593783
0.00021373 -0.00006799 -0.00055510
-0.09058426 -28.80087965 -7.64622625
0.00063930 0.00034351 -0.00031315
1.00426295 -31.48090222 -8.02321775
0.00075429 -0.00059345 0.00002839
2.87477417 -0.04420386 7.69885330
-0.00024886 0.00063829 0.00030353
4.88695055 1.39019268 6.22894605
0.00053732 -0.00002249 0.00013603
-10.85219402 8.45705730 -11.43677252
0.00002157 -0.00052791 0.00042877
-11.85354043 10.41600721 -13.36811909
0.00035821 -0.00019602 0.00089005
-13.14213949 -6.89457759 -6.13619114
-0.00002596 0.00037957 0.00028435
-11.53415505 -4.59586773 -6.89741982
0.00070610 -0.00045209 -0.00013396
7.52715320 12.27388405 8.62545500
-0.00006959 -0.00083813 0.00033267
10.02427194 13.55586677 7.61748088
-0.00045098 -0.00060054 0.00011620
20.67091727 -3.95525191 8.15886048
0.00057084 -0.00033486 -0.00038208
20.98688987 -4.82715230 10.73235974
-0.00009892 -0.00085984 0.00033178
-21.55488845 30.57286925 -12.59125338
0.00018960 -0.00103684 -0.00029812
-19.16567527 29.55773820 -11.12475056
0.00075936 -0.00065693 -0.00004874
14.87455966 -1.24453772 17.11817597
0.00045803 -0.00025620 0.00051072
14.41922123 -0.95944792 14.11066485
-0.00026729 0.00068190 0.00046297
-16.23896475 3.79771411 -4.39539901
0.00094485 -0.00007472 -0.00028466
-18.62780919 5.55511452 -4.14255396
-0.00003009 0.00081014 -0.00056180
22.04798685 21.67691522 -20.63850883
-0.00045404 -0.00024760 -0.00088889
21.00577050 19.08075179 -19.91367160
0.00067827 0.00031209 0.00022783
-1.83429659 -0.63882714 -3.52496871
-0.00019766 0.00034242 -0.00020263
0.17390095 1.15803734 -4.06557281
-0.00039183 0.00062252 0.00038114
4.24625288 -27.53277001 9.56630215
-0.00034078 0.00054322 0.00046090
1.34694130 -27.84478231 8.46692742
-0.00019597 0.00064229 0.00046306
-13.57228091 27.74899946 10.60814926
0.00068263 -0.00020398 0.00037950
-11.39736969 28.54449397 8.79067068
-0.00026470 0.00037260 -0.00037254
3.02329519 -2.52155966 -2.98956903
-0.00020910 -0.00008336 -0.00011018
3.37436240 -4.67452698 -4.98046706
0.00029006 -0.00034493 -0.00047741
-13.65600069 13.38889403 -9.87945843
-0.00016901 0.00076645 0.00071129
-15.86687165 14.19213562 -7.89538309
-0.00074030 -0.00109974 -0.00146542
12.59171974 4.79952943 19.61510686
-0.00047427 0.00058599 0.00061983
10.66629083 2.58826538 19.28769575
-0.00039101 0.00022567 -0.00027818
-9.54050255 18.83023848 20.14891825
0.00011910 0.00100624 0.00063318
-8.15723579 19.29380235 22.86721959
0.00085496 0.00034435 -0.00013666
22.62883155 -8.24363613 -3.33323618
-0.00011173 0.00058554 0.00011402
20.63589976 -7.78233707 -1.11856889
-0.00072296 0.00030415 -0.00042030
-10.22159576 1.10446591 -13.07575806
0.00011761 0.00052769 0.00029907
-7.77435593 0.35426583 -14.13755844
-0.00047289 0.00004984 -0.00032942
-3.92016782 -15.69422257 -17.97280219
-0.00051141 0.00091826 -0.00068573
-4.28688986 -14.78481768 -15.05736100
-0.00010560 -0.00033320 -0.00035140