First atomset in SCAN330 file ../mddata/s0000/md090.r
-13.98459599 3.09821254 15.07906374
-0.00011568 0.00001158 -0.00007784
32.93711824 7.40989300 28.59533467
0.00004708 -0.00020499 -0.00042957
-23.31646883 24.68432703 -31.66986711
-0.00036565 -0.00015539 -0.00009890
21.44590580 -13.92645413 -0.45344883
-0.00023157 0.00004149 -0.00005023
5.39258615 -32.74553857 2.62554487
-0.00015457 0.00006160 -0.00032185
7.94767060 15.73807790 10.13472363
-0.00004561 -0.00015804 0.00010138
-9.65515602 -36.61963181 -18.62911567
0.00024026 -0.00022697 0.00008069
-0.95136965 -22.23323989 10.15431446
-0.00017317 0.00001422 -0.00023847
2.77571763 6.71564710 -1.45898123
-0.00029709 0.00005888 0.00013150
-5.81659106 6.38663339 12.84222786
-0.00012395 0.00018562 0.00025395
8.81220377 -17.72235838 22.95465840
-0.00006745 0.00011726 -0.00000693
-22.94162449 -10.04217930 12.83810932
0.00005361 0.00004790 0.00032695
-12.03399499 -6.89032913 -27.59656324
0.00009715 0.00025582 0.00007809
0.36269488 -8.40752373 1.65540070
-0.00028746 0.00012740 0.00018686
1.88253393 -19.52355336 3.17143043
0.00022006 -0.00020758 -0.00018766
-1.76409590 9.17894486 -8.39473735
0.00012660 0.00013097 -0.00035575
-14.64847242 -23.71150992 -28.10245833
0.00012945 0.00001839 -0.00013310
-20.81297998 -7.41161142 16.34342837
-0.00048628 0.00018218 -0.00020600
5.59715073 -17.40074782 9.32443759
-0.00016810 -0.00032902 0.00004217
7.00018883 13.66671107 -28.93139183
0.00034135 -0.00012961 0.00018914
0.51767923 -6.04938173 7.26165066
-0.00025042 -0.00007424 -0.00045333
-4.38870266 -0.42597034 -0.22981923
-0.00004560 0.00015079 0.00000379
-17.48413052 -16.40417802 14.19739330
0.00039687 -0.00016756 -0.00024414
14.26388348 -12.04831050 -3.22344569
-0.00001836 -0.00034579 0.00032185
19.75235236 7.62091793 4.38808083
-0.00008280 -0.00021646 0.00014743
6.49958760 10.65771119 -24.90044183
0.00012693 0.00010237 0.00023494
12.64688671 -17.63615967 -4.68330427
-0.00006129 -0.00001311 -0.00014572
-8.49930068 -2.59990191 -10.84591514
-0.00018943 -0.00000370 0.00032364
3.53637995 -1.71328702 -1.55644602
-0.00000153 0.00013273 0.00020899
-7.07373521 -4.70405653 24.23711886
-0.00020459 -0.00005672 -0.00043020
-7.14757578 1.52763350 -3.99669974
0.00015648 -0.00001123 -0.00022513
18.10130014 5.88123033 -2.52677854
-0.00013480 0.00009548 0.00011432
-4.11995332 12.27484456 18.73586610
-0.00014731 -0.00047158 0.00017424
-6.11481529 1.43174872 8.01381436
-0.00001660 0.00022128 -0.00009111
16.74904775 7.43728551 -15.27355736
0.00036593 0.00003023 -0.00023386
16.94589087 3.19438977 -43.64633203
0.00020450 -0.00016759 0.00018143
-10.41732326 -6.91335307 9.46436678
0.00011990 0.00017307 0.00007138
6.32350166 1.71665829 25.72208590
0.00019020 0.00031224 0.00028737
-0.20737104 -0.33303987 2.04642840
0.00000484 0.00012159 -0.00022280
-21.28151330 -17.50636008 16.93862242
-0.00041001 -0.00000602 -0.00015845
21.63688939 -2.16941893 -4.71865467
0.00016702 0.00006247 0.00006141
-17.98376191 24.43368574 8.85461043
0.00008776 -0.00002148 0.00007306
-8.40072123 -6.80198407 -8.27637491
0.00012877 0.00016329 0.00002859
-14.58809096 -12.04842718 14.05303063
-0.00005168 -0.00029972 0.00008642
-11.49857700 25.16294650 3.49125600
-0.00004104 0.00043978 0.00002877
0.93923762 -18.01043606 -15.58697440
0.00017935 -0.00023000 -0.00008834
-3.68322446 -7.59704594 10.40691276
-0.00004016 -0.00022400 0.00000102
-19.18099399 -25.97454952 -7.26340778
0.00011922 -0.00008865 0.00005711
-42.61133830 -9.64167599 -16.14528716
-0.00005626 -0.00031168 -0.00003417
39.65127253 15.28055559 4.67036816
-0.00001595 -0.00010454 0.00000140
11.50774820 -2.32023074 -0.74650787
-0.00024185 -0.00001713 -0.00041995
-5.67102044 1.50779985 14.67857563
-0.00017190 0.00050778 0.00018589
23.91540906 -12.91630631 -14.61008166
0.00018426 -0.00036659 -0.00010029
-2.32624129 -10.97060671 5.28464115
0.00010615 0.00000047 0.00019415
23.07457719 -6.85980038 -3.17735048
-0.00018055 0.00012148 0.00007179
30.65444185 -2.81690574 12.30448917
-0.00012235 0.00001331 0.00010181
7.08358500 19.34579771 -21.72724718
0.00041777 0.00000968 0.00012977
11.77086378 4.95193477 -13.24902128
-0.00001046 -0.00009090 -0.00015525
1.54513279 -24.56046022 -16.80248873
-0.00019258 -0.00031231 0.00001562
-33.10136357 -13.97335671 15.45647542
0.00006780 -0.00007778 0.00014288
-9.63818572 8.02190943 -23.19571228
0.00012151 0.00002259 0.00011249
-7.49482868 -11.17750593 34.29086599
-0.00015521 0.00000448 -0.00012267
-14.71914427 -1.89145471 29.41216121
0.00008866 -0.00023178 -0.00024256
10.92607476 0.06595132 11.44705512
-0.00020970 0.00000865 0.00004639
-12.61846266 4.17933217 15.92829499
-0.00006118 -0.00065222 -0.00002574
-15.25934040 4.35397850 15.06202657
-0.00041219 0.00037193 -0.00011126
33.97016865 6.82770593 30.01158841
0.00021482 -0.00006522 -0.00013696
33.10744840 6.00009995 27.44946639
0.00026003 0.00070109 -0.00039310
-22.56625000 26.00263198 -30.75384852
-0.00036031 -0.00051070 0.00014701
-24.08039012 23.55660622 -30.41958032
0.00016287 0.00014414 0.00119423
23.19894875 -14.66315704 -0.99723248
0.00029510 0.00021989 0.00017098
20.60621779 -13.08373236 -1.95047211
0.00068699 0.00003316 0.00040482
5.98258627 -31.03682380 2.78593587
0.00037412 -0.00054206 0.00038050
3.50884000 -32.61959199 2.50750459
0.00046679 0.00055239 -0.00071623
6.62264961 14.85808312 9.10914359
0.00043817 -0.00024103 0.00048924
8.69093585 14.39412033 11.12028733
0.00012147 -0.00077319 -0.00100574
-11.41844327 -36.73393610 -19.01296970
-0.00024860 0.00010896 -0.00010820
-9.15032347 -37.68097034 -17.20539558
-0.00015772 0.00034188 -0.00025265
-0.33403024 -22.52554690 11.97126523
-0.00033056 -0.00051047 -0.00002860
0.33813711 -23.12132701 9.00955254
0.00075218 0.00003176 -0.00016237
4.20090693 7.76480443 -0.96878134
-0.00012497 0.00028573 0.00027008
2.45115067 5.51293512 0.00101598
0.00063041 -0.00017530 -0.00051827
-4.18562188 7.22863575 13.50241600
0.00005927 -0.00021794 -0.00025417
-5.68516618 4.81642804 13.81773941
0.00009554 -0.00000785 0.00021153
9.35099852 -18.43433458 21.35444673
0.00059937 -0.00006939 0.00056114
8.72820243 -19.45107643 23.93187900
0.00009399 0.00048530 0.00011625
-21.93453753 -10.96624180 11.60997484
-0.00018133 -0.00003148 0.00108622
-24.42225888 -9.26758591 11.91265703
0.00010082 -0.00052745 -0.00010164
-13.83398908 -7.01739540 -27.87983181
0.00025035 0.00007295 -0.00108548
-11.63617554 -5.57727290 -26.41604168
0.00025041 0.00004839 -0.00051677
0.35240274 -7.76508758 -0.11909986
0.00091498 0.00024523 -0.00031534
-0.41006457 -7.07835236 2.69655189
-0.00030472 0.00045182 -0.00023144
0.85118778 -20.83860518 2.48694024
0.00127087 0.00051321 0.00004103
1.26309285 -18.89096554 4.84083567
0.00008305 0.00051235 -0.00071460
-0.11100636 8.52718537 -7.98084356
0.00003375 -0.00056999 -0.00072529
-1.18436850 10.66274498 -9.31738836
-0.00040819 0.00033154 -0.00015372
-15.87589952 -24.86022819 -28.94875808
0.00046883 0.00029541 0.00015033
-14.33612749 -22.47779807 -29.49220785
-0.00019715 -0.00039293 -0.00063463
-20.60883434 -5.64313479 15.98191802
0.00113913 -0.00067458 0.00063757
-21.55255668 -8.25916763 14.79443550
0.00019527 -0.00044354 0.00025906
6.35747734 -16.29525021 8.03571323
0.00040761 0.00061538 0.00027301
3.76896921 -17.89323983 8.79948758
0.00051493 0.00034521 0.00012047
6.20671486 12.35533241 -27.91828915
0.00014324 -0.00053214 0.00032454
5.57198372 14.62628715 -29.66539516
-0.00039731 0.00038487 -0.00023349
0.92223184 -4.21136559 7.58173113
0.00009901 0.00034807 0.00033133
-0.95258103 -6.38959873 8.24615955
-0.00030279 -0.00006820 -0.00056298
-5.18723387 -1.94832694 0.21012775
0.00036909 0.00040776 -0.00071574
-5.22266415 0.83017145 0.86534448
0.00000357 -0.00050545 0.00020458
-16.48188039 -14.84390335 14.30999533
-0.00022825 -0.00049861 0.00005510
-17.65079677 -16.78833448 12.34259708
-0.00117477 0.00061183 0.00031166
13.50183428 -13.35843607 -2.16518651
-0.00040584 0.00032824 -0.00002484
13.15726615 -10.57966616 -3.22395670
-0.00030854 -0.00010608 0.00022940
21.20339637 7.08128454 3.39450716
0.00023477 -0.00118618 -0.00019052
19.66401717 9.42044950 4.21205523
-0.00059741 0.00073731 0.00057227
7.46858294 9.26083329 -24.23193501
-0.00015454 -0.00014353 0.00043525
6.31752625 12.12009386 -23.62804279
0.00022456 0.00016440 0.00046801
13.85630735 -19.07895295 -4.87916040
-0.00035280 0.00105418 0.00008762
13.34190294 -16.50283262 -6.04714309
-0.00056259 0.00049310 -0.00005791
-8.50476804 -3.80310128 -9.48038497
0.00030342 0.00042717 -0.00053637
-7.44064348 -1.29654765 -10.36919149
-0.00092528 -0.00071298 -0.00001641
5.03755119 -0.93776244 -2.01034242
-0.00049592 0.00003326 -0.00084475
3.24462510 -2.76270121 -3.06622851
0.00026197 -0.00001136 -0.00061694
-6.96729756 -6.18007147 25.37834778
0.00046698 0.00016801 0.00000880
-8.77374971 -4.23145417 23.95902737
-0.00028511 0.00006402 -0.00059877
-6.96557037 0.19369133 -2.80377112
-0.00038062 0.00071991 0.00056272
-6.50078347 3.07249056 -3.27595897
0.00039729 0.00074653 0.00005407
16.71150984 6.66270043 -1.52829934
-0.00003440 0.00020158 0.00093275
19.72862248 6.53321384 -1.94318425
-0.00018092 0.00050124 0.00033014
-5.92914774 12.25795970 19.29868494
0.00038610 0.00057790 0.00005028
-3.92108237 10.62246245 17.71456306
0.00014015 0.00016503 -0.00039910
-6.92419596 2.80011912 9.00323311
-0.00005917 -0.00003766 -0.00014020
-4.39691291 1.57998700 8.59762133
-0.00011885 -0.00026504 0.00117776
18.32020326 7.29815219 -16.23640426
0.00035307 -0.00038718 -0.00034740
17.41574119 7.07936081 -13.48267930
0.00100862 -0.00048608 0.00014630
17.24296210 2.33454456 -41.99670158
0.00044129 0.00076560 -0.00104015
17.42908221 4.86361660 -43.06270939
0.00001661 -0.00053328 -0.00043260
-12.23035523 -6.47259925 8.98566257
-0.00028390 0.00055046 -0.00040486
-9.61642655 -5.55471129 10.35905099
0.00042820 -0.00042263 0.00024600
7.27747008 1.26917104 27.27604496
-0.00026724 -0.00036458 0.00077658
4.89982703 2.81196866 26.31794424
0.00014416 0.00018725 0.00035114
1.22641697 -0.74358068 1.06753470
0.00104982 0.00046194 -0.00080413
-1.72560071 -0.70232337 0.93106223
0.00019919 0.00060956 -0.00035281
-21.04750075 -17.23481062 18.74088746
0.00008425 0.00031292 -0.00029486
-19.98060294 -16.79039251 15.86097758
0.00035742 0.00000910 0.00095833
21.88991288 -3.92324664 -4.12632665
-0.00052031 0.00025812 -0.00081230
20.39719011 -1.52375054 -3.62139445
0.00003434 0.00172307 0.00086173
-17.92944351 23.77189664 10.55243243
-0.00029098 -0.00027899 0.00088828
-17.48009318 26.22715888 8.89372813
-0.00001520 0.00024059 0.00002412
-9.86098487 -7.06556657 -7.18066702
-0.00028185 0.00020485 0.00062933
-6.83641729 -7.77197561 -7.79102706
0.00020862 0.00020434 -0.00049900
-12.90408683 -12.65545639 14.18512833
0.00022840 0.00073449 0.00004640
-14.97827447 -11.20967831 15.65408264
0.00018416 -0.00040702 0.00079319
-9.73808272 25.88283486 3.58200307
0.00006666 0.00041354 -0.00047949
-11.59096959 24.32083492 1.90539581
0.00053766 -0.00000218 0.00027002
-0.26459296 -19.17101780 -14.70972077
-0.00060225 0.00080915 0.00097529
0.27529654 -16.25675266 -15.35724574
0.00013356 0.00032134 0.00019513
-4.61029770 -6.07932868 10.79528637
0.00029866 0.00000541 0.00025373
-4.98816466 -8.89084491 10.35414292
0.00006415 0.00058526 0.00023192
-19.96820838 -24.31997761 -7.74698368
0.00037709 -0.00088613 -0.00044888
-17.90102124 -26.18345752 -8.68153407
0.00069816 0.00035873 -0.00036984
-43.68606663 -8.11046749 -16.04871133
-0.00050849 -0.00040376 -0.00010945
-42.11087067 -9.92014302 -17.84815834
0.00042303 0.00022715 0.00058416
38.43714418 15.85632391 5.92849086
-0.00064434 0.00032713 0.00033361
38.88421203 13.53313997 4.47064160
0.00034191 0.00109390 -0.00029481
10.72702516 -1.40613945 -2.08121908
0.00032875 0.00031894 -0.00000237
9.88700986 -2.94993418 0.02206878
0.00112889 -0.00020268 0.00018720
-3.76158227 1.34454954 14.56737223
0.00078098 -0.00034923 0.00087681
-6.11736422 1.38286682 16.50468388
-0.00003496 0.00086247 0.00033806
25.44043009 -12.04953763 -15.30207670
-0.00048605 0.00037166 0.00073001
22.52540669 -12.20382398 -15.67176565
-0.00069774 -0.00010999 0.00101079
-1.93484982 -10.93348804 3.49434547
0.00057272 0.00019819 -0.00006150
-3.72666937 -9.77042071 5.57512006
0.00051745 -0.00130693 -0.00058026
21.66537465 -8.04884101 -3.13213278
-0.00038851 0.00039539 0.00101163
24.07458456 -7.30802853 -4.72778844
-0.00042315 0.00033128 0.00060415
32.20767848 -1.90943897 11.73452886
0.00011995 -0.00044519 -0.00008746
30.72552293 -4.59446223 11.74614915
0.00012163 0.00058762 0.00054852
6.91996393 20.48579018 -20.34764496
-0.00046763 -0.00013834 0.00006817
5.76512083 19.89121467 -23.01543295
-0.00066289 0.00043297 -0.00087863
12.03591515 3.09184802 -12.98537474
0.00089970 0.00021865 0.00017003
12.76950059 5.58667813 -11.83758057
-0.00003589 0.00050470 0.00073520
0.78352051 -24.30893023 -18.56485199
0.00102293 -0.00069586 0.00021055
3.29531862 -23.92073680 -16.61252498
0.00017704 0.00025042 -0.00022900
-32.96779205 -12.89716014 17.02043061
-0.00004615 -0.00038409 -0.00017156
-31.60437467 -13.45520294 14.47188059
-0.00118619 0.00093369 0.00088493
-11.07284123 6.83488524 -23.13308212
0.00043281 -0.00034254 -0.00059032
-9.42035687 8.72372843 -21.45040537
0.00011172 -0.00012465 -0.00067055
-8.98942898 -10.08462069 33.98314541
-0.00004868 -0.00046624 0.00035724
-7.40028840 -12.34011211 32.93005396
-0.00090730 0.00129994 0.00031088
-15.15061095 -1.10414467 31.08939424
-0.00098137 -0.00098665 -0.00051129
-13.34464078 -0.84430036 28.79044274
0.00049846 -0.00097888 0.00006851
12.50734101 -0.77290851 11.82267961
-0.00024551 -0.00058976 -0.00009275
10.54339203 0.94702831 12.97377864
0.00005150 0.00073736 -0.00026451