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lammps/tools/msi2lmp/test/reference/nylon-class1.data2
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nylon-class1.data2
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LAMMPS data file via write_data, version 8 Jul 2013-ICMS, timestep = 23
117 atoms
8 atom types
116 bonds
10 bond types
219 angles
19 angle types
311 dihedrals
25 dihedral types
11 impropers
3 improper types
-2.5859999660000001e+00 1.2220000267000000e+01 xlo xhi
2.5989999770000001e+00 2.2969999312999999e+01 ylo yhi
-2.3459999560000000e+00 3.6015998840000002e+01 zlo zhi
Masses
1 12.0112
2 14.0067
3 12.0112
4 15.9994
5 1.00797
6 1.00797
7 15.9994
8 14.0067
Pair Coeffs
1 0.039 3.87541
2 0.167 3.50123
3 0.148 3.61705
4 0.228 2.85978
5 0.038 2.44997
6 0 0
7 0.228 2.85978
8 0.167 3.50123
Bond Coeffs
1 322.716 1.526
2 340.618 1.105
3 356.599 1.47
4 377.575 1.46
5 388 1.32
6 483.451 1.026
7 615.322 1.23
8 283.092 1.52
9 540 1.25
10 457.459 1.026
Angle Coeffs
1 44.4 110
2 50 109.5
3 39.5 106.4
4 57.3 109.5
5 46.6 110.5
6 50 109.5
7 51.5 109.5
8 111 118
9 35 122
10 37.5 115
11 68 120
12 53.5 114.1
13 68 120
14 46.6 110.5
15 45 109.5
16 68 120
17 145 123
18 41.6 110
19 36 105.5
Dihedral Coeffs
1 0.1581 1 3
2 0.1581 1 3
3 0.1581 1 3
4 0.1581 1 3
5 0.0889 1 3
6 0.0889 1 3
7 0.1581 1 3
8 0.1581 1 3
9 0.1581 1 3
10 0 1 0
11 0 1 0
12 0 1 0
13 0 1 0
14 3.8 -1 2
15 3.2 -1 2
16 1.8 -1 2
17 1.2 -1 2
18 0 1 0
19 0 1 0
20 0 1 0
21 0 1 0
22 0.1581 1 3
23 0.1581 1 3
24 0 1 0
25 0 1 0
Improper Coeffs
1 0.05 -1 2
2 10 -1 2
3 11.6 -1 2
Atoms
1 1 1 2.2000000000000000e-01 1.4824259524532795e+00 2.0573952159697747e+01 -4.4393792462403830e-01 0 0 0
2 1 1 -2.0000000000000001e-01 2.3353190636377343e+00 1.9882244258080796e+01 6.4367015109480119e-01 0 0 0
3 1 1 -2.0000000000000001e-01 2.8976934696556040e+00 2.0894907470068890e+01 1.6410932408483840e+00 0 0 0
4 1 1 -2.0000000000000001e-01 3.5479720155101360e+00 2.0179387962106635e+01 2.8267565806260535e+00 0 0 0
5 1 1 -2.0000000000000001e-01 4.1026751337126477e+00 2.1184031181317458e+01 3.8378350655490334e+00 0 0 0
6 1 1 2.0000000000000000e-02 4.7746849920680736e+00 2.0480340870106627e+01 5.0434444622071899e+00 0 0 0
7 1 2 -5.0000000000000000e-01 5.3705557283963188e+00 2.1441476024193030e+01 5.9552846348327009e+00 0 0 0
8 1 3 3.8000000000000000e-01 6.4009365472940312e+00 2.1145145380457720e+01 6.7389291397737399e+00 0 0 0
16 1 5 1.0000000000000001e-01 2.0835249484870606e+00 2.0719607104400957e+01 -1.3721675884092368e+00 0 0 0
17 1 5 1.0000000000000001e-01 1.1824086709385220e+00 2.1598213244195712e+01 -1.2680741114945629e-01 0 0 0
18 1 5 1.0000000000000001e-01 3.1598298506656435e+00 1.9306324032637100e+01 1.6379373671507746e-01 0 0 0
19 1 5 1.0000000000000001e-01 1.7305284372807253e+00 1.9133387835357695e+01 1.1918832343632242e+00 0 0 0
20 1 5 1.0000000000000001e-01 3.6230013031712200e+00 2.1548362448263866e+01 1.1234000541177813e+00 0 0 0
21 1 5 1.0000000000000001e-01 2.0881074203986278e+00 2.1555808420581197e+01 1.9983994801009299e+00 0 0 0
22 1 5 1.0000000000000001e-01 4.3614648592116740e+00 1.9522703904695437e+01 2.4787098244989414e+00 0 0 0
23 1 5 1.0000000000000001e-01 2.8163802448132707e+00 1.9526923034023635e+01 3.3310986615635394e+00 0 0 0
24 1 5 1.0000000000000001e-01 4.8432279048736504e+00 2.1847699109712583e+01 3.3477607212970972e+00 0 0 0
25 1 5 1.0000000000000001e-01 3.2938094935137574e+00 2.1850556938206925e+01 4.1999506468898433e+00 0 0 0
26 1 5 1.0000000000000001e-01 5.5957264604125134e+00 1.9810568433353613e+01 4.6955036630846285e+00 0 0 0
27 1 5 1.0000000000000001e-01 4.0517851024346268e+00 1.9856750398148115e+01 5.6184644272045521e+00 0 0 0
28 1 6 2.8000000000000003e-01 5.0457357864834096e+00 2.2405600318956274e+01 6.1448973321335005e+00 0 0 0
29 1 5 1.0000000000000001e-01 7.0878224946033361e+00 1.9104633055498798e+01 6.3796140674566049e+00 0 0 0
114 1 8 -5.0000000000000000e-01 2.6381188443709036e-01 1.9795516129791107e+01 -7.4765676325067876e-01 0 0 0
115 1 6 3.5999999999999999e-01 1.0993535187787033e-01 1.9727503225359847e+01 -1.7606543181876184e+00 0 0 0
116 1 6 3.5999999999999999e-01 -5.6952918365652327e-01 2.0248954658517984e+01 -3.5345339417518939e-01 0 0 0
117 1 6 3.5999999999999999e-01 2.9658360672379197e-01 1.8837068874909789e+01 -3.8131847253487167e-01 0 0 0
41 1 1 -2.0000000000000001e-01 1.0063133833763942e+01 1.2638453509470054e+01 1.4795120998705679e+01 0 0 0
42 1 1 -2.0000000000000001e-01 9.3392681447189574e+00 1.1454473954721122e+01 1.5452873011255473e+01 0 0 0
43 1 1 2.0000000000000000e-02 1.0258038408493645e+01 1.0215484347026427e+01 1.5614547006292028e+01 0 0 0
44 1 2 -5.0000000000000000e-01 9.5504563311510555e+00 9.0556303211420381e+00 1.6229269384101567e+01 0 0 0
63 1 5 1.0000000000000001e-01 1.0428607336226621e+01 1.2340164329632026e+01 1.3796838334429097e+01 0 0 0
64 1 5 1.0000000000000001e-01 8.9569670851820096e+00 1.1762832123747895e+01 1.6443890689221259e+01 0 0 0
65 1 5 1.0000000000000001e-01 8.4447007946095169e+00 1.1200169534550710e+01 1.4850829810521835e+01 0 0 0
66 1 5 1.0000000000000001e-01 1.1184083237270974e+01 1.0497695147068169e+01 1.6184179977641165e+01 0 0 0
67 1 5 1.0000000000000001e-01 1.0616376857199656e+01 9.8954172872392512e+00 1.4610793424747106e+01 0 0 0
68 1 6 2.8000000000000003e-01 8.5440001761142348e+00 8.8479488678581806e+00 1.6137540032437268e+01 0 0 0
69 1 5 1.0000000000000001e-01 9.4035425320295989e+00 6.1894584598784972e+00 1.6669356097056014e+01 0 0 0
9 1 4 -3.8000000000000000e-01 7.0559244712957057e+00 2.2075550623931051e+01 7.1337717418613487e+00 0 0 0
10 1 1 -2.0000000000000001e-01 6.7073289810467003e+00 1.9715434281560754e+01 7.2265096760029399e+00 0 0 0
11 1 1 -2.0000000000000001e-01 7.7273974353988155e+00 1.9666478176226320e+01 8.4009462029538291e+00 0 0 0
12 1 1 -2.0000000000000001e-01 7.4839730801368329e+00 1.8465479370427055e+01 9.3634300102470540e+00 0 0 0
13 1 1 -2.0000000000000001e-01 8.4392927763151722e+00 1.8446846720640696e+01 1.0575686670391256e+01 0 0 0
14 1 3 3.8000000000000000e-01 8.1377628228525563e+00 1.7313404195619533e+01 1.1590087691067563e+01 0 0 0
15 1 4 -3.8000000000000000e-01 7.0031545787639979e+00 1.6893372213294793e+01 1.1745286824180086e+01 0 0 0
30 1 5 1.0000000000000001e-01 5.7493708415088598e+00 1.9276218775045493e+01 7.5691246448192908e+00 0 0 0
31 1 5 1.0000000000000001e-01 8.7473856917972839e+00 1.9621569488960450e+01 7.9750905091804132e+00 0 0 0
32 1 5 1.0000000000000001e-01 7.7055535694930306e+00 2.0607022170626067e+01 8.9809203975238052e+00 0 0 0
33 1 5 1.0000000000000001e-01 7.5759715815973205e+00 1.7506498991882367e+01 8.8282221088557584e+00 0 0 0
34 1 5 1.0000000000000001e-01 6.4437230904590921e+00 1.8506207327583578e+01 9.7342111965828195e+00 0 0 0
35 1 5 1.0000000000000001e-01 9.5007066772677256e+00 1.8439702629865160e+01 1.0238376258193687e+01 0 0 0
36 1 5 1.0000000000000001e-01 8.2994652649980960e+00 1.9399327404316804e+01 1.1130050938523251e+01 0 0 0
37 1 2 -5.0000000000000000e-01 9.1683446221325067e+00 1.6856115517152581e+01 1.2322085504776851e+01 0 0 0
38 1 1 2.0000000000000000e-02 8.8574334794025180e+00 1.6167463106419678e+01 1.3606073574907983e+01 0 0 0
39 1 1 -2.0000000000000001e-01 9.8558191663073877e+00 1.5037401167076670e+01 1.3968899778255572e+01 0 0 0
40 1 1 -2.0000000000000001e-01 9.1501067193578010e+00 1.3865322746553019e+01 1.4660925046995512e+01 0 0 0
55 1 6 2.8000000000000003e-01 1.0099238476739487e+01 1.6941224355508108e+01 1.1893122300287045e+01 0 0 0
56 1 5 1.0000000000000001e-01 8.9249358381175306e+00 1.6953016138000880e+01 1.4388423643624083e+01 0 0 0
57 1 5 1.0000000000000001e-01 7.7959988717147279e+00 1.5809894425301987e+01 1.3662328812657075e+01 0 0 0
58 1 5 1.0000000000000001e-01 1.0660045402021732e+01 1.5429205720532490e+01 1.4626711767363814e+01 0 0 0
59 1 5 1.0000000000000001e-01 1.0371618353008735e+01 1.4680621553755017e+01 1.3060275204836516e+01 0 0 0
60 1 5 1.0000000000000001e-01 8.7825389885260421e+00 1.4186025671572484e+01 1.5652403997934929e+01 0 0 0
61 1 5 1.0000000000000001e-01 8.2551184262783526e+00 1.3600480124585308e+01 1.4073474148328424e+01 0 0 0
62 1 5 1.0000000000000001e-01 1.0960230455090985e+01 1.2894258313089997e+01 1.5384006161751195e+01 0 0 0
45 1 3 3.8000000000000000e-01 1.0279184449357468e+01 8.1809925415686688e+00 1.6940084175626264e+01 0 0 0
46 1 4 -3.8000000000000000e-01 1.1468150854295972e+01 8.3728410515932090e+00 1.7153320059318592e+01 0 0 0
47 1 1 -2.0000000000000001e-01 9.5611132637133558e+00 6.9224132855809488e+00 1.7491885234712630e+01 0 0 0
48 1 1 -2.0000000000000001e-01 1.0360413876871322e+01 6.2136635928817974e+00 1.8609316016928730e+01 0 0 0
49 1 1 -2.0000000000000001e-01 9.4298096004144618e+00 5.4926512233520493e+00 1.9620506722595831e+01 0 0 0
50 1 1 -2.0000000000000001e-01 1.0165914040432925e+01 4.9243356536423342e+00 2.0840857760908488e+01 0 0 0
51 1 5 1.0000000000000001e-01 1.0758682766855538e+01 5.7191875183966978e+00 2.1345269422370915e+01 0 0 0
52 1 5 1.0000000000000001e-01 1.0928145848926942e+01 4.1853984522622190e+00 2.0508367024809559e+01 0 0 0
53 1 3 3.8000000000000000e-01 9.2310060769462119e+00 4.2509701948322638e+00 2.1868350805760393e+01 0 0 0
54 1 4 -3.8000000000000000e-01 9.6308098715696708e+00 3.3289170163391821e+00 2.2563497431011282e+01 0 0 0
70 1 5 1.0000000000000001e-01 8.5462831868729960e+00 7.1790874100988455e+00 1.7871643037118723e+01 0 0 0
71 1 5 1.0000000000000001e-01 1.1075071819454648e+01 5.4952667308827987e+00 1.8162840544643892e+01 0 0 0
72 1 5 1.0000000000000001e-01 1.0986937476402225e+01 6.9406555901631179e+00 1.9154064915597182e+01 0 0 0
73 1 5 1.0000000000000001e-01 8.8744937623759554e+00 4.6621024558257833e+00 1.9143993590450929e+01 0 0 0
74 1 5 1.0000000000000001e-01 8.6883648401590303e+00 6.2199992046081327e+00 1.9986654169340678e+01 0 0 0
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76 1 1 2.0000000000000000e-02 7.1288568793885565e+00 4.1662181880942404e+00 2.3060697367974626e+01 0 0 0
77 1 1 -2.0000000000000001e-01 6.0833174707811191e+00 5.2110675337483459e+00 2.3534493576713299e+01 0 0 0
78 1 1 -2.0000000000000001e-01 5.8963947641999308e+00 5.1926910960009698e+00 2.5056958463518644e+01 0 0 0
79 1 1 -2.0000000000000001e-01 5.0479883550654749e+00 6.3717475623257522e+00 2.5557802789808388e+01 0 0 0
91 1 6 2.8000000000000003e-01 7.7290240767991643e+00 5.4327533811164566e+00 2.1290446442665196e+01 0 0 0
92 1 5 1.0000000000000001e-01 6.6059683815460728e+00 3.2541663935073077e+00 2.2681230777084107e+01 0 0 0
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94 1 5 1.0000000000000001e-01 5.1075463137223203e+00 5.0333756808089092e+00 2.3035986898965866e+01 0 0 0
95 1 5 1.0000000000000001e-01 6.3855078468646376e+00 6.2259989850350426e+00 2.3215625626204073e+01 0 0 0
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45 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
46 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
47 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
48 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
49 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
50 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
51 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
52 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
53 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
54 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
70 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
71 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
72 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
73 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
74 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
75 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
76 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
77 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
78 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
79 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
91 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
92 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
93 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
94 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
95 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
96 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
97 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
98 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
99 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
80 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
81 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
82 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
83 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
84 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
85 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
86 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
87 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
88 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
89 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
90 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
100 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
101 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
102 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
103 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
104 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
105 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
106 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
107 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
108 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
109 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
110 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
111 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
112 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
113 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
Bonds
1 1 1 2
2 2 1 16
3 2 1 17
4 3 1 114
5 1 2 3
6 2 2 18
7 2 2 19
8 1 3 4
9 2 3 20
10 2 3 21
11 1 4 5
12 2 4 22
13 2 4 23
14 1 5 6
15 2 5 24
16 2 5 25
17 4 6 7
18 2 6 26
19 2 6 27
20 5 7 8
21 6 7 28
22 7 8 9
23 10 115 114
24 10 116 114
25 10 117 114
26 1 41 42
27 2 41 62
28 2 41 63
29 1 42 43
30 2 42 64
31 2 42 65
32 4 43 44
33 2 43 66
34 2 43 67
35 5 44 45
36 6 44 68
37 8 10 8
38 1 10 11
39 2 10 29
40 2 10 30
41 1 11 12
42 2 11 31
43 2 11 32
44 1 12 13
45 2 12 33
46 2 12 34
47 8 13 14
48 2 13 35
49 2 13 36
50 7 14 15
51 5 37 14
52 6 37 55
53 4 38 37
54 1 38 39
55 2 38 56
56 2 38 57
57 1 39 40
58 2 39 58
59 2 39 59
60 1 40 41
61 2 40 60
62 2 40 61
63 7 45 46
64 8 47 45
65 1 47 48
66 2 47 69
67 2 47 70
68 1 48 49
69 2 48 71
70 2 48 72
71 1 49 50
72 2 49 73
73 2 49 74
74 8 50 53
75 2 50 51
76 2 50 52
77 7 53 54
78 5 75 53
79 6 75 91
80 4 76 75
81 1 76 77
82 2 76 92
83 2 76 93
84 1 77 78
85 2 77 94
86 2 77 95
87 1 78 79
88 2 78 96
89 2 78 97
90 1 79 80
91 2 79 98
92 2 79 99
93 1 80 81
94 2 80 100
95 2 80 101
96 4 81 82
97 2 81 102
98 2 81 103
99 5 82 83
100 6 82 104
101 7 83 84
102 8 85 83
103 1 85 86
104 2 85 105
105 2 85 106
106 1 86 87
107 2 86 107
108 2 86 108
109 1 87 88
110 2 87 109
111 2 87 110
112 8 88 89
113 2 88 111
114 2 88 112
115 9 89 90
116 9 89 113
Angles
1 1 2 1 16
2 1 2 1 17
3 2 2 1 114
4 3 16 1 17
5 4 16 1 114
6 4 17 1 114
7 5 1 2 3
8 1 1 2 18
9 1 1 2 19
10 1 3 2 18
11 1 3 2 19
12 3 18 2 19
13 5 2 3 4
14 1 2 3 20
15 1 2 3 21
16 1 4 3 20
17 1 4 3 21
18 3 20 3 21
19 5 3 4 5
20 1 3 4 22
21 1 3 4 23
22 1 5 4 22
23 1 5 4 23
24 3 22 4 23
25 5 4 5 6
26 1 4 5 24
27 1 4 5 25
28 1 6 5 24
29 1 6 5 25
30 3 24 5 25
31 6 5 6 7
32 1 5 6 26
33 1 5 6 27
34 7 7 6 26
35 7 7 6 27
36 3 26 6 27
37 8 6 7 8
38 9 6 7 28
39 10 8 7 28
40 11 7 8 9
41 12 10 8 7
42 13 10 8 9
43 18 1 114 115
44 18 1 114 116
45 18 1 114 117
46 19 115 114 116
47 19 115 114 117
48 19 116 114 117
49 5 40 41 42
50 1 40 41 62
51 1 40 41 63
52 1 42 41 62
53 1 42 41 63
54 3 62 41 63
55 5 41 42 43
56 1 41 42 64
57 1 41 42 65
58 1 43 42 64
59 1 43 42 65
60 3 64 42 65
61 6 42 43 44
62 1 42 43 66
63 1 42 43 67
64 7 44 43 66
65 7 44 43 67
66 3 66 43 67
67 8 43 44 45
68 9 43 44 68
69 10 45 44 68
70 14 11 10 8
71 15 8 10 29
72 15 8 10 30
73 1 11 10 29
74 1 11 10 30
75 3 29 10 30
76 5 10 11 12
77 1 10 11 31
78 1 10 11 32
79 1 12 11 31
80 1 12 11 32
81 3 31 11 32
82 5 11 12 13
83 1 11 12 33
84 1 11 12 34
85 1 13 12 33
86 1 13 12 34
87 3 33 12 34
88 14 12 13 14
89 1 12 13 35
90 1 12 13 36
91 15 14 13 35
92 15 14 13 36
93 3 35 13 36
94 13 13 14 15
95 12 13 14 37
96 11 37 14 15
97 8 38 37 14
98 10 14 37 55
99 9 38 37 55
100 6 39 38 37
101 7 37 38 56
102 7 37 38 57
103 1 39 38 56
104 1 39 38 57
105 3 56 38 57
106 5 38 39 40
107 1 38 39 58
108 1 38 39 59
109 1 40 39 58
110 1 40 39 59
111 3 58 39 59
112 5 39 40 41
113 1 39 40 60
114 1 39 40 61
115 1 41 40 60
116 1 41 40 61
117 3 60 40 61
118 11 44 45 46
119 12 47 45 44
120 13 47 45 46
121 14 48 47 45
122 15 45 47 69
123 15 45 47 70
124 1 48 47 69
125 1 48 47 70
126 3 69 47 70
127 5 47 48 49
128 1 47 48 71
129 1 47 48 72
130 1 49 48 71
131 1 49 48 72
132 3 71 48 72
133 5 48 49 50
134 1 48 49 73
135 1 48 49 74
136 1 50 49 73
137 1 50 49 74
138 3 73 49 74
139 14 49 50 53
140 1 49 50 51
141 1 49 50 52
142 15 53 50 51
143 15 53 50 52
144 3 51 50 52
145 13 50 53 54
146 12 50 53 75
147 11 75 53 54
148 8 76 75 53
149 10 53 75 91
150 9 76 75 91
151 6 77 76 75
152 7 75 76 92
153 7 75 76 93
154 1 77 76 92
155 1 77 76 93
156 3 92 76 93
157 5 76 77 78
158 1 76 77 94
159 1 76 77 95
160 1 78 77 94
161 1 78 77 95
162 3 94 77 95
163 5 77 78 79
164 1 77 78 96
165 1 77 78 97
166 1 79 78 96
167 1 79 78 97
168 3 96 78 97
169 5 78 79 80
170 1 78 79 98
171 1 78 79 99
172 1 80 79 98
173 1 80 79 99
174 3 98 79 99
175 5 79 80 81
176 1 79 80 100
177 1 79 80 101
178 1 81 80 100
179 1 81 80 101
180 3 100 80 101
181 6 80 81 82
182 1 80 81 102
183 1 80 81 103
184 7 82 81 102
185 7 82 81 103
186 3 102 81 103
187 8 81 82 83
188 9 81 82 104
189 10 83 82 104
190 11 82 83 84
191 12 85 83 82
192 13 85 83 84
193 14 86 85 83
194 15 83 85 105
195 15 83 85 106
196 1 86 85 105
197 1 86 85 106
198 3 105 85 106
199 5 85 86 87
200 1 85 86 107
201 1 85 86 108
202 1 87 86 107
203 1 87 86 108
204 3 107 86 108
205 5 86 87 88
206 1 86 87 109
207 1 86 87 110
208 1 88 87 109
209 1 88 87 110
210 3 109 87 110
211 14 87 88 89
212 1 87 88 111
213 1 87 88 112
214 15 89 88 111
215 15 89 88 112
216 3 111 88 112
217 16 88 89 90
218 16 88 89 113
219 17 90 89 113
Dihedrals
1 2 16 1 2 18
2 2 16 1 2 19
3 2 17 1 2 18
4 2 17 1 2 19
5 5 2 1 114 115
6 5 2 1 114 116
7 5 2 1 114 117
8 6 16 1 114 115
9 6 16 1 114 116
10 6 16 1 114 117
11 6 17 1 114 115
12 6 17 1 114 116
13 6 17 1 114 117
14 1 3 2 1 16
15 1 3 2 1 17
16 3 3 2 1 114
17 4 18 2 1 114
18 4 19 2 1 114
19 7 1 2 3 4
20 1 1 2 3 20
21 1 1 2 3 21
22 2 18 2 3 20
23 2 18 2 3 21
24 2 19 2 3 20
25 2 19 2 3 21
26 1 4 3 2 18
27 1 4 3 2 19
28 7 2 3 4 5
29 1 2 3 4 22
30 1 2 3 4 23
31 2 20 3 4 22
32 2 20 3 4 23
33 2 21 3 4 22
34 2 21 3 4 23
35 1 5 4 3 20
36 1 5 4 3 21
37 7 3 4 5 6
38 1 3 4 5 24
39 1 3 4 5 25
40 2 22 4 5 24
41 2 22 4 5 25
42 2 23 4 5 24
43 2 23 4 5 25
44 1 6 5 4 22
45 1 6 5 4 23
46 8 4 5 6 7
47 1 4 5 6 26
48 1 4 5 6 27
49 2 24 5 6 26
50 2 24 5 6 27
51 2 25 5 6 26
52 2 25 5 6 27
53 9 7 6 5 24
54 9 7 6 5 25
55 10 5 6 7 8
56 11 5 6 7 28
57 12 26 6 7 8
58 13 26 6 7 28
59 12 27 6 7 8
60 13 27 6 7 28
61 14 6 7 8 9
62 15 6 7 8 10
63 16 28 7 8 9
64 17 28 7 8 10
65 1 42 41 40 60
66 1 42 41 40 61
67 7 40 41 42 43
68 1 40 41 42 64
69 1 40 41 42 65
70 2 62 41 42 64
71 2 62 41 42 65
72 2 63 41 42 64
73 2 63 41 42 65
74 1 43 42 41 62
75 1 43 42 41 63
76 8 41 42 43 44
77 1 41 42 43 66
78 1 41 42 43 67
79 2 64 42 43 66
80 2 64 42 43 67
81 2 65 42 43 66
82 2 65 42 43 67
83 9 44 43 42 64
84 9 44 43 42 65
85 10 42 43 44 45
86 11 42 43 44 68
87 12 66 43 44 45
88 13 66 43 44 68
89 12 67 43 44 45
90 13 67 43 44 68
91 14 43 44 45 46
92 15 43 44 45 47
93 16 68 44 45 46
94 17 68 44 45 47
95 18 11 10 8 7
96 19 29 10 8 7
97 19 30 10 8 7
98 20 11 10 8 9
99 21 29 10 8 9
100 21 30 10 8 9
101 23 8 10 11 31
102 23 8 10 11 32
103 2 29 10 11 31
104 2 29 10 11 32
105 2 30 10 11 31
106 2 30 10 11 32
107 22 12 11 10 8
108 1 12 11 10 29
109 1 12 11 10 30
110 7 10 11 12 13
111 1 10 11 12 33
112 1 10 11 12 34
113 2 31 11 12 33
114 2 31 11 12 34
115 2 32 11 12 33
116 2 32 11 12 34
117 1 13 12 11 31
118 1 13 12 11 32
119 22 11 12 13 14
120 1 11 12 13 35
121 1 11 12 13 36
122 2 33 12 13 35
123 2 33 12 13 36
124 2 34 12 13 35
125 2 34 12 13 36
126 23 14 13 12 33
127 23 14 13 12 34
128 20 12 13 14 15
129 18 12 13 14 37
130 21 35 13 14 15
131 19 35 13 14 37
132 21 36 13 14 15
133 19 36 13 14 37
134 15 38 37 14 13
135 17 55 37 14 13
136 14 38 37 14 15
137 16 55 37 14 15
138 10 39 38 37 14
139 12 56 38 37 14
140 12 57 38 37 14
141 11 39 38 37 55
142 13 56 38 37 55
143 13 57 38 37 55
144 9 37 38 39 58
145 9 37 38 39 59
146 2 56 38 39 58
147 2 56 38 39 59
148 2 57 38 39 58
149 2 57 38 39 59
150 8 40 39 38 37
151 1 40 39 38 56
152 1 40 39 38 57
153 7 38 39 40 41
154 1 38 39 40 60
155 1 38 39 40 61
156 2 58 39 40 60
157 2 58 39 40 61
158 2 59 39 40 60
159 2 59 39 40 61
160 1 41 40 39 58
161 1 41 40 39 59
162 7 39 40 41 42
163 1 39 40 41 62
164 1 39 40 41 63
165 2 60 40 41 62
166 2 60 40 41 63
167 2 61 40 41 62
168 2 61 40 41 63
169 18 48 47 45 44
170 19 69 47 45 44
171 19 70 47 45 44
172 20 48 47 45 46
173 21 69 47 45 46
174 21 70 47 45 46
175 23 45 47 48 71
176 23 45 47 48 72
177 2 69 47 48 71
178 2 69 47 48 72
179 2 70 47 48 71
180 2 70 47 48 72
181 22 49 48 47 45
182 1 49 48 47 69
183 1 49 48 47 70
184 7 47 48 49 50
185 1 47 48 49 73
186 1 47 48 49 74
187 2 71 48 49 73
188 2 71 48 49 74
189 2 72 48 49 73
190 2 72 48 49 74
191 1 50 49 48 71
192 1 50 49 48 72
193 22 48 49 50 53
194 1 48 49 50 51
195 1 48 49 50 52
196 2 73 49 50 51
197 2 73 49 50 52
198 2 74 49 50 51
199 2 74 49 50 52
200 23 53 50 49 73
201 23 53 50 49 74
202 20 49 50 53 54
203 18 49 50 53 75
204 21 51 50 53 54
205 19 51 50 53 75
206 21 52 50 53 54
207 19 52 50 53 75
208 15 76 75 53 50
209 17 91 75 53 50
210 14 76 75 53 54
211 16 91 75 53 54
212 10 77 76 75 53
213 12 92 76 75 53
214 12 93 76 75 53
215 11 77 76 75 91
216 13 92 76 75 91
217 13 93 76 75 91
218 9 75 76 77 94
219 9 75 76 77 95
220 2 92 76 77 94
221 2 92 76 77 95
222 2 93 76 77 94
223 2 93 76 77 95
224 8 78 77 76 75
225 1 78 77 76 92
226 1 78 77 76 93
227 7 76 77 78 79
228 1 76 77 78 96
229 1 76 77 78 97
230 2 94 77 78 96
231 2 94 77 78 97
232 2 95 77 78 96
233 2 95 77 78 97
234 1 79 78 77 94
235 1 79 78 77 95
236 7 77 78 79 80
237 1 77 78 79 98
238 1 77 78 79 99
239 2 96 78 79 98
240 2 96 78 79 99
241 2 97 78 79 98
242 2 97 78 79 99
243 1 80 79 78 96
244 1 80 79 78 97
245 7 78 79 80 81
246 1 78 79 80 100
247 1 78 79 80 101
248 2 98 79 80 100
249 2 98 79 80 101
250 2 99 79 80 100
251 2 99 79 80 101
252 1 81 80 79 98
253 1 81 80 79 99
254 8 79 80 81 82
255 1 79 80 81 102
256 1 79 80 81 103
257 2 100 80 81 102
258 2 100 80 81 103
259 2 101 80 81 102
260 2 101 80 81 103
261 9 82 81 80 100
262 9 82 81 80 101
263 10 80 81 82 83
264 11 80 81 82 104
265 12 102 81 82 83
266 13 102 81 82 104
267 12 103 81 82 83
268 13 103 81 82 104
269 14 81 82 83 84
270 15 81 82 83 85
271 16 104 82 83 84
272 17 104 82 83 85
273 18 86 85 83 82
274 19 105 85 83 82
275 19 106 85 83 82
276 20 86 85 83 84
277 21 105 85 83 84
278 21 106 85 83 84
279 23 83 85 86 107
280 23 83 85 86 108
281 2 105 85 86 107
282 2 105 85 86 108
283 2 106 85 86 107
284 2 106 85 86 108
285 22 87 86 85 83
286 1 87 86 85 105
287 1 87 86 85 106
288 7 85 86 87 88
289 1 85 86 87 109
290 1 85 86 87 110
291 2 107 86 87 109
292 2 107 86 87 110
293 2 108 86 87 109
294 2 108 86 87 110
295 1 88 87 86 107
296 1 88 87 86 108
297 22 86 87 88 89
298 1 86 87 88 111
299 1 86 87 88 112
300 2 109 87 88 111
301 2 109 87 88 112
302 2 110 87 88 111
303 2 110 87 88 112
304 23 89 88 87 109
305 23 89 88 87 110
306 24 87 88 89 90
307 24 87 88 89 113
308 25 111 88 89 90
309 25 111 88 89 113
310 25 112 88 89 90
311 25 112 88 89 113
Impropers
1 1 8 7 6 28
2 2 10 8 7 9
3 1 45 44 43 68
4 2 13 14 37 15
5 1 14 37 38 55
6 2 47 45 44 46
7 2 50 53 75 54
8 1 53 75 76 91
9 1 83 82 81 104
10 2 85 83 82 84
11 3 88 89 90 113
c4science · Help