ALOOH+HEAD--2.14A.100000000.data

LAMMPS data file via write_data, version 30 Jul 2016, timestep = 100000000

921 atoms
16 atom types
540 bonds
14 bond types
386 angles
23 angle types
70 dihedrals
17 dihedral types

-7.6215000000000002e+00 7.3114999999999997e+00 xlo xhi
-9.2200000000000006e+00 9.4049999999999994e+00 ylo yhi
-1.5424457332822819e+01 1.8030457332822820e+01 zlo zhi

Masses

1 1.008
2 15.9994
3 1.008
4 1.008
5 1.008
6 12.011
7 12.011
8 12.011
9 14.007
10 15.9994
11 15.9994
12 30.974
13 26.982
14 15.9994
15 15.9994
16 1.008

Pair Coeffs # lj/charmm/coul/long

1 0.046 0.400014 0.046 0.400014
2 0.1521 3.15057 0.1521 3.15057
3 0.046 1.24726 0.046 1.24726
4 0.028 2.38761 0.028 2.38761
5 0.024 2.38761 0.024 2.38761
6 0.056 3.58141 0.01 3.38542
7 0.078 3.63487 0.01 3.38542
8 0.08 3.6705 0.01 3.38542
9 0.2 3.29632 0.2 3.29632
10 0.1 2.93997 0.1 2.93997
11 0.12 3.02906 0.12 3.02906
12 0.585 3.83086 0.585 3.83086
13 1.3298e-06 4.27124 1.3298e-06 4.27124
14 0.1554 3.16554 0.1554 3.16554
15 0.1554 3.16554 0.1554 3.16554
16 0.046 0.400014 0.046 0.400014

Bond Coeffs # harmonic

1 0 1.9
2 222.5 1.53
3 222.5 1.528
4 309 1.111
5 300 1.08
6 215 1.51
7 340 1.43
8 322 1.111
9 300 1.08
10 215 1.51
11 554.135 0.963
12 450 0.9572
13 580 1.48
14 270 1.6

Angle Coeffs # charmm

1 30 109.47 0 0
2 30 109.47 0 0
3 26.5 110.1 22.53 2.179
4 33.43 110.1 22.53 2.179
5 67.7 115 0 0
6 75.7 110.1 0 0
7 34.6 110.1 22.53 2.179
8 60 109.5 26 2.466
9 20 120 35 2.33
10 34.6 110.1 22.53 2.179
11 75.7 110.1 0 0
12 60 109.5 26 2.466
13 35.5 109 5.4 1.802
14 60 109.5 0 0
15 35.5 108.4 5.4 1.802
16 24 109.5 28 1.767
17 40 109.5 27 2.13
18 24 109.5 28 1.767
19 40 109.5 27 2.13
20 55 104.52 0 0
21 120 120 0 0
22 98.9 111.6 0 0
23 80 104.3 0 0

Dihedral Coeffs # charmm

1 0.26 3 0 1
2 0 3 0 1
3 0.23 3 0 1
4 0.1 3 0 1
5 1.2 1 180 1
6 0.1 2 180 0
7 0.1 3 180 0
8 0 3 0 1
9 0.26 3 0 1
10 0.23 3 0 1
11 0.19 3 0 1
12 0.19 3 0 1
13 0.16 3 0 1
14 0 3 0 1
15 0.16 3 0 1
16 0.19 3 0 1
17 0.19 3 0 1

Atoms # full

232 52 2 -8.3399999999999996e-01 -7.1234705597047583e+00 -7.3172954002912531e+00 -1.4058805674173010e+01 -27 94 1
424 116 2 -8.3399999999999996e-01 -5.6377070263358151e+00 -7.1272058800721716e+00 -1.1669140568769400e+01 -29 25 0
687 203 1 4.1699999999999998e-01 -4.4170707605313426e+00 -6.5365749419163635e+00 -1.3023655329545326e+01 86 -63 1
425 116 1 4.1699999999999998e-01 -6.1681116529309072e+00 -6.6444083839254624e+00 -1.1035206323494778e+01 -29 25 0
463 129 2 -8.3399999999999996e-01 -5.6612689030523056e+00 -5.0503099484073255e+00 -7.5315924334609026e+00 -52 57 1
796 240 2 -8.3399999999999996e-01 -7.4657987748047558e+00 -8.4755116677586440e+00 -9.5720593609298632e+00 42 -2 1
233 52 1 4.1699999999999998e-01 -6.6143822982263130e+00 -7.2115626440433269e+00 -1.3255075545421462e+01 -27 94 1
426 116 1 4.1699999999999998e-01 -5.1658580620958476e+00 -7.7532766099541846e+00 -1.1119887220193599e+01 -29 25 0
234 52 1 4.1699999999999998e-01 -6.4417895884631893e+00 -7.1054786728504151e+00 -1.4696569248178063e+01 -27 94 1
464 129 1 4.1699999999999998e-01 -6.4906177826335254e+00 -4.6755487933650466e+00 -7.8282016764004201e+00 -52 57 1
712 212 2 -8.3399999999999996e-01 -4.3332277005074840e+00 -9.1224762720425527e+00 -1.0419108051881382e+01 17 -67 1
302 75 1 4.1699999999999998e-01 -4.5163252180974958e+00 -6.3993979296991661e+00 -1.5036834466984450e+01 -48 -21 1
685 203 2 -8.3399999999999996e-01 -3.8992541696779486e+00 -5.9030851122428896e+00 -1.3520470583036733e+01 86 -63 1
582 168 1 4.1699999999999998e-01 -7.5884092757045076e+00 -4.8556116116388806e+00 -1.3171839479324175e+01 -35 -16 1
149 31 14 -1.0500000000000000e+00 -6.7889999999999997e+00 -6.5320000000000000e+00 -6.9127350597916504e-01 0 0 0
69 11 14 -1.0500000000000000e+00 -5.3220000000000001e+00 -4.5839999999999996e+00 3.6646271819321186e-01 0 0 0
148 31 13 1.5750000000000000e+00 -6.9219999999999997e+00 -8.3829999999999991e+00 -1.0899278783379920e+00 0 0 0
49 6 14 -1.0500000000000000e+00 -5.1589999999999998e+00 -8.3539999999999992e+00 3.6345778574813714e-01 0 0 0
150 31 15 -9.4999999999999996e-01 -5.4841400180951716e+00 -8.7468773362674206e+00 -2.2670405972813388e+00 0 0 0
48 6 13 1.5750000000000000e+00 -5.2750000000000004e+00 -6.4589999999999996e+00 5.6879483680999599e-01 0 0 0
270 64 1 4.1699999999999998e-01 -6.0944739606658391e+00 -4.7652876116714840e+00 -4.9252509112712470e+00 -49 42 0
462 128 1 4.1699999999999998e-01 -6.6967172814927389e+00 -8.7117443724944650e+00 -6.6849818931276985e+00 -137 -36 1
545 156 1 4.1699999999999998e-01 -7.3398211212834585e+00 -7.1720738712948995e+00 -5.1784661469877484e+00 -52 15 0
465 129 1 4.1699999999999998e-01 -5.9646458920387575e+00 -5.6720156577669592e+00 -6.8699693112102498e+00 -52 57 1
269 64 1 4.1699999999999998e-01 -6.0884876421353065e+00 -5.7440926129965293e+00 -3.7737576381633104e+00 -49 42 0
268 64 2 -8.3399999999999996e-01 -6.1430818516785051e+00 -5.7007879227245946e+00 -4.7284902660837655e+00 -49 42 0
50 6 15 -9.4999999999999996e-01 -6.9089985085968237e+00 -6.4508921710781006e+00 2.0721265426272240e+00 0 0 0
51 6 16 4.2499999999999999e-01 -6.6074752281998954e+00 -6.0079818261852544e+00 2.8759877329170500e+00 0 0 0
738 220 1 4.1699999999999998e-01 -3.9264015257139020e+00 -8.3421620561559564e+00 4.7602288759322597e+00 -49 11 -1
908 277 1 4.1699999999999998e-01 -6.1205617118258369e+00 -8.8081241546338500e+00 5.1538707498220724e+00 54 12 0
873 265 1 4.1699999999999998e-01 -4.5230910981104095e+00 -5.5483378708074440e+00 7.4829234500506736e+00 -25 -7 0
907 277 2 -8.3399999999999996e-01 -5.3166679490643478e+00 -8.9921078693790868e+00 5.6398483011711811e+00 54 12 0
609 177 1 4.1699999999999998e-01 -4.6402610907666020e+00 -4.9134167078320656e+00 3.6102388631111317e+00 -26 36 -1
872 265 1 4.1699999999999998e-01 -4.0781664563323385e+00 -6.3353865184609006e+00 6.3206566453499633e+00 -25 -7 0
871 265 2 -8.3399999999999996e-01 -4.6475623475369119e+00 -5.5964105945856035e+00 6.5349985337247816e+00 -25 -7 0
607 177 2 -8.3399999999999996e-01 -5.4941933762065807e+00 -4.6265626633620425e+00 3.9339094895357754e+00 -26 36 -1
621 181 1 4.1699999999999998e-01 -7.5517674067173068e+00 -7.7417769314083040e+00 3.1559568909191746e+00 29 -6 0
608 177 1 4.1699999999999998e-01 -5.3458557061388614e+00 -4.7093842868976887e+00 4.8759836781778887e+00 -26 36 -1
620 181 1 4.1699999999999998e-01 -7.3158270132516483e+00 -9.1450601125958837e+00 3.5426137247864062e+00 29 -6 0
511 145 2 -8.3399999999999996e-01 -6.4873377704341699e+00 -6.6775588881014967e+00 1.4164003173758680e+01 -61 -14 -1
793 239 2 -8.3399999999999996e-01 -5.9496685369975433e+00 -8.8197349322045309e+00 1.2672281765909656e+01 -30 -101 0
844 256 2 -8.3399999999999996e-01 -3.9833523332846816e+00 -6.4252535351193174e+00 1.2151137887166396e+01 27 -32 -1
875 266 1 4.1699999999999998e-01 -6.3625310654633616e+00 -4.9682080120735259e+00 1.5933878612915372e+01 9 -7 0
562 162 2 -8.3399999999999996e-01 -4.3571354096284098e+00 -8.6271954431980689e+00 1.0251059933921248e+01 40 45 -1
512 145 1 4.1699999999999998e-01 -6.4020329574403814e+00 -7.5546040959941472e+00 1.3790151794443052e+01 -61 -14 -1
301 75 2 -8.3399999999999996e-01 -5.0024334228461083e+00 -6.1100496603844912e+00 1.7645876548577903e+01 -48 -21 0
303 75 1 4.1699999999999998e-01 -4.2632430717120329e+00 -5.8237756894527433e+00 1.7109292139547911e+01 -48 -21 0
564 162 1 4.1699999999999998e-01 -4.2799986764747651e+00 -7.8221845936678065e+00 9.7389322506003069e+00 40 45 -1
845 256 1 4.1699999999999998e-01 -4.8578939361904405e+00 -6.6852699201568866e+00 1.2440643315413503e+01 27 -32 -1
794 239 1 4.1699999999999998e-01 -5.2282744873506157e+00 -8.8683525358420887e+00 1.2044971383068180e+01 -30 -101 0
513 145 1 4.1699999999999998e-01 -7.2652752744489479e+00 -6.6476489684446243e+00 1.4720955019285473e+01 -61 -14 -1
482 135 1 4.1699999999999998e-01 -4.5636963046605654e+00 -3.5237401258016554e+00 -1.1505677395693496e+01 -87 -31 0
849 257 1 4.1699999999999998e-01 -5.0419472991867202e+00 -1.8587926729925579e+00 -1.3941050847825039e+01 -115 6 1
440 121 1 4.1699999999999998e-01 -6.8107480299621015e+00 -2.1402427998947005e+00 -1.1115771821867176e+01 -27 101 1
848 257 1 4.1699999999999998e-01 -5.1118465026089277e+00 -3.1932916471087216e+00 -1.3533059129635998e+01 -115 6 1
847 257 2 -8.3399999999999996e-01 -5.5177244466161053e+00 -2.6461500870292261e+00 -1.4205519416998605e+01 -115 6 1
363 95 1 4.1699999999999998e-01 -7.2385051368678104e+00 -2.2147746683862355e+00 -7.5577683275668672e+00 -111 -72 0
439 121 2 -8.3399999999999996e-01 -6.1089206579904758e+00 -2.7441207136734107e+00 -1.1358692322376132e+01 -27 101 1
441 121 1 4.1699999999999998e-01 -6.5600676745053716e+00 -3.2044171339401109e+00 -1.2066434441868402e+01 -27 101 1
351 91 1 4.1699999999999998e-01 -4.1394508354810595e+00 -2.3455079874877960e-01 -1.0491400968641493e+01 -51 107 1
190 41 15 -9.4999999999999996e-01 -5.3191138523812889e+00 -1.0684473013858717e+00 -2.0562898086500638e+00 0 0 0
89 16 14 -1.0500000000000000e+00 -5.1379999999999999e+00 -9.1500000000000092e-01 6.2188197687337521e-01 0 0 0
188 41 13 1.5750000000000000e+00 -6.9009999999999998e+00 -8.1300000000000061e-01 -7.3033762789417800e-01 0 0 0
191 41 16 4.2499999999999999e-01 -5.6542861818885566e+00 -1.2564797269460506e+00 -2.9431042511618823e+00 0 0 0
68 11 13 1.5750000000000000e+00 -5.2270000000000003e+00 -2.8170000000000002e+00 9.4040481712392676e-01 0 0 0
168 36 13 1.5750000000000000e+00 -6.7430000000000003e+00 -4.4539999999999997e+00 -9.3667632310156357e-01 0 0 0
169 36 14 -1.0500000000000000e+00 -6.7830000000000004e+00 -2.6769999999999996e+00 -4.9795618467708991e-01 0 0 0
170 36 15 -9.4999999999999996e-01 -5.4432550662001891e+00 -4.2794359844216840e+00 -2.2905979812508921e+00 0 0 0
489 137 1 4.1699999999999998e-01 -5.7195549898774614e+00 -1.0932226881032800e+00 -6.4639998695311469e+00 21 -52 1
649 191 2 -8.3399999999999996e-01 -6.7959950036998711e+00 -2.3995938259004816e+00 -4.1366244490637047e+00 -30 33 0
171 36 16 4.2499999999999999e-01 -5.6774280991973232e+00 -3.5695525443817040e+00 -2.9039756072947309e+00 0 0 0
651 191 1 4.1699999999999998e-01 -6.8923894610270757e+00 -1.8323320842383390e+00 -4.9016341303547897e+00 -30 33 0
488 137 1 4.1699999999999998e-01 -4.4355325390594356e+00 -1.8285108063448430e+00 -6.0861951821132418e+00 21 -52 1
650 191 1 4.1699999999999998e-01 -7.0756017583826241e+00 -1.9262279623604925e+00 -3.3530059284503775e+00 -30 33 0
487 137 2 -8.3399999999999996e-01 -4.8069900430398205e+00 -9.5509304917315951e-01 -6.2102550694412564e+00 21 -52 1
361 95 2 -8.3399999999999996e-01 -7.3548565413828397e+00 -1.6284718964467446e+00 -6.8100882372644342e+00 -111 -72 0
70 11 15 -9.4999999999999996e-01 -6.6515234140805273e+00 -2.9752458368227730e+00 2.1504339620431985e+00 0 0 0
71 11 16 4.2499999999999999e-01 -6.3165822186917584e+00 -3.5956732739153141e+00 2.8134472072821275e+00 0 0 0
879 267 1 4.1699999999999998e-01 -5.4636529718864235e+00 -8.8460894115857158e-01 6.3386223473718779e+00 -47 43 -1
624 182 1 4.1699999999999998e-01 -5.7598800601941864e+00 -2.8228829167663889e+00 7.3074224237258179e+00 -47 -73 -1
904 276 2 -8.3399999999999996e-01 -4.6368213522601627e+00 -1.1114632137694063e+00 8.9770323196018822e+00 -83 -2 0
622 182 2 -8.3399999999999996e-01 -5.6420754348196960e+00 -2.6571169439795579e+00 6.3720064255237965e+00 -47 -73 -1
906 276 1 4.1699999999999998e-01 -4.4879033265970936e+00 -3.1970520641427669e-01 8.4601085280588073e+00 -83 -2 0
623 182 1 4.1699999999999998e-01 -4.7511917246777697e+00 -2.9669382530221302e+00 6.2089882727284547e+00 -47 -73 -1
877 267 2 -8.3399999999999996e-01 -5.2989883102713868e+00 -2.4962798520117957e-02 5.9511323627029959e+00 -47 43 -1
902 275 1 4.1699999999999998e-01 -7.5127046034448499e+00 -2.7743269453301220e+00 4.7317901333691381e+00 74 -31 0
473 132 1 4.1699999999999998e-01 -7.4966312542007678e+00 -3.7410650168958171e-02 9.3835211987402189e+00 -11 80 -1
889 271 2 -8.3399999999999996e-01 -5.8198228310836591e+00 -1.1713570022300868e+00 1.3088044216036256e+01 -7 46 0
819 247 1 4.1699999999999998e-01 -4.5496278915104229e+00 -3.2721725423694101e+00 1.5387952112400367e+01 -23 -76 -1
891 271 1 4.1699999999999998e-01 -5.4902069393777797e+00 -1.9898191592352834e+00 1.3459164303362886e+01 -7 46 0
874 266 2 -8.3399999999999996e-01 -6.9091734243054619e+00 -4.3615277957966345e+00 1.6433267674832496e+01 9 -7 0
817 247 2 -8.3399999999999996e-01 -4.9104423237148911e+00 -3.3992210733422539e+00 1.4510443881738514e+01 -23 -76 -1
890 271 1 4.1699999999999998e-01 -6.7674440625512293e+00 -1.2631452039545463e+00 1.3187126597416167e+01 -7 46 0
760 228 2 -8.3399999999999996e-01 -4.0242328052712404e+00 -3.2750955879932491e+00 1.7055696229219208e+01 54 -59 -1
700 208 2 -8.3399999999999996e-01 -3.9179915261191836e+00 -3.5670411004997442e+00 1.1337377088337739e+01 -19 56 0
905 276 1 4.1699999999999998e-01 -4.5439485697511639e+00 -7.6977402992556065e-01 9.8663981934391778e+00 -83 -2 0
472 132 2 -8.3399999999999996e-01 -7.4964901361174912e+00 -8.0915761145022280e-01 9.9498147435640938e+00 -11 80 -1
384 102 1 4.1699999999999998e-01 -4.8966148080340508e+00 -8.2620247418219606e-02 1.3993047263803607e+01 -54 -53 -1
702 208 1 4.1699999999999998e-01 -4.5648238621498454e+00 -2.9019933460187923e+00 1.1573086663284304e+01 -19 56 0
818 247 1 4.1699999999999998e-01 -4.3093582083249498e+00 -4.0138923630229923e+00 1.4089571292904722e+01 -23 -76 -1
596 173 1 4.1699999999999998e-01 -6.9925908266344079e+00 -1.4961361234194879e+00 1.7375580439701515e+01 -41 -85 -1
701 208 1 4.1699999999999998e-01 -4.3480827677293501e+00 -4.2902342078277895e+00 1.0881006851133439e+01 -19 56 0
761 228 1 4.1699999999999998e-01 -4.6007369234476450e+00 -3.0348592381905632e+00 1.7781123220012127e+01 54 -59 -1
876 266 1 4.1699999999999998e-01 -6.2042148836492386e+00 -4.2738568009629745e+00 1.7074863386320317e+01 9 -7 0
474 132 1 4.1699999999999998e-01 -6.5808243105093842e+00 -1.0857995222278376e+00 9.9143788733069904e+00 -11 80 -1
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350 91 1 4.1699999999999998e-01 -4.2031468410206658e+00 1.1023378798611230e+00 -9.8586969919815495e+00 -51 107 1
746 223 1 4.1699999999999998e-01 -6.3992936233410260e+00 2.6235659011525385e+00 -1.2712845680199177e+01 28 11 0
630 184 1 4.1699999999999998e-01 -4.7436045550499868e+00 3.8872996184232811e+00 -1.2132971630861141e+01 -17 7 1
322 82 2 -8.3399999999999996e-01 -6.7218857275689823e+00 1.7832266055032697e+00 -1.5215578171958793e+01 -50 49 1
628 184 2 -8.3399999999999996e-01 -4.6970381571133686e+00 3.1205492745108998e+00 -1.2704112147763247e+01 -17 7 1
629 184 1 4.1699999999999998e-01 -4.6972246489940748e+00 3.6163832453890361e+00 -1.3522942014100275e+01 -17 7 1
323 82 1 4.1699999999999998e-01 -5.9465189895329367e+00 1.2755997589365542e+00 -1.4976069421393323e+01 -50 49 1
349 91 2 -8.3399999999999996e-01 -4.7205878943801540e+00 3.0257340535050936e-01 -9.9528367552808028e+00 -51 107 1
899 274 1 4.1699999999999998e-01 -6.4984381684302557e+00 5.6083915001885565e-01 -9.5183818513908367e+00 -113 -33 1
898 274 2 -8.3399999999999996e-01 -7.4264645771483142e+00 7.9427336979368768e-01 -9.4958454478860332e+00 -113 -33 1
391 105 2 -8.3399999999999996e-01 -4.5184471615929489e+00 2.4494359184276426e-01 -1.5076743104939025e+01 -81 -90 1
745 223 2 -8.3399999999999996e-01 -7.2579203331263233e+00 2.4965705650921866e+00 -1.2309258820952044e+01 28 11 0
747 223 1 4.1699999999999998e-01 -7.0816908782601802e+00 1.6106732098993231e+00 -1.1992436830062490e+01 28 11 0
211 46 16 4.2499999999999999e-01 -5.4560430229860906e+00 2.4034582058063307e+00 -2.7880065286916746e+00 0 0 0
210 46 15 -9.4999999999999996e-01 -5.1579143729809083e+00 2.7597954915867415e+00 -1.9416042952068029e+00 0 0 0
208 46 13 1.5750000000000000e+00 -6.8200000000000003e+00 2.8970000000000002e+00 -6.7424555537994202e-01 0 0 0
109 21 14 -1.0500000000000000e+00 -5.1699999999999999e+00 2.7349999999999994e+00 8.1019107736706530e-01 0 0 0
189 41 14 -1.0500000000000000e+00 -6.8390000000000004e+00 1.0090000000000003e+00 -3.8677368385416067e-01 0 0 0
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492 12 400 401
493 12 400 402
494 12 655 656
495 12 655 657
496 12 880 881
497 12 880 882
498 12 715 716
499 12 715 717
500 12 577 578
501 12 577 579
502 12 826 827
503 12 826 828
504 12 532 533
505 12 532 534
506 12 754 755
507 12 754 756
508 12 319 320
509 12 319 321
510 12 865 866
511 12 865 867
512 12 868 869
513 12 868 870
514 12 478 479
515 12 478 480
516 11 214 215
517 11 218 219
518 12 346 347
519 12 346 348
520 12 892 893
521 12 892 894
522 11 114 115
523 12 433 434
524 12 433 435
525 12 679 680
526 12 679 681
527 12 583 584
528 12 583 585
529 12 775 776
530 12 775 777
531 12 802 803
532 12 802 804
533 12 787 788
534 12 787 789
535 12 454 455
536 12 454 456
537 12 673 674
538 12 673 675
539 12 466 467
540 12 466 468

Angles

1 20 233 232 234
2 20 425 424 426
3 20 464 463 465
4 20 797 796 798
5 20 713 712 714
6 20 686 685 687
7 1 148 150 151
8 2 148 150 151
9 20 269 268 270
10 1 48 50 51
11 2 48 50 51
12 20 908 907 909
13 20 872 871 873
14 20 608 607 609
15 20 512 511 513
16 20 794 793 795
17 20 845 844 846
18 20 563 562 564
19 20 302 301 303
20 20 848 847 849
21 20 440 439 441
22 1 188 190 191
23 2 188 190 191
24 1 168 170 171
25 2 168 170 171
26 20 650 649 651
27 20 488 487 489
28 20 362 361 363
29 1 68 70 71
30 2 68 70 71
31 20 905 904 906
32 20 623 622 624
33 20 878 877 879
34 20 890 889 891
35 20 875 874 876
36 20 818 817 819
37 20 761 760 762
38 20 701 700 702
39 20 473 472 474
40 20 323 322 324
41 20 629 628 630
42 20 350 349 351
43 20 899 898 900
44 20 392 391 393
45 20 746 745 747
46 1 208 210 211
47 2 208 210 211
48 20 530 529 531
49 1 88 90 91
50 2 88 90 91
51 1 108 110 111
52 2 108 110 111
53 20 422 421 423
54 20 662 661 663
55 20 386 385 387
56 20 749 748 750
57 20 383 382 384
58 20 503 502 504
59 20 275 274 276
60 20 449 448 450
61 20 332 331 333
62 20 785 784 786
63 20 614 613 615
64 20 587 586 588
65 20 641 640 642
66 20 809 808 810
67 1 228 230 231
68 2 228 230 231
69 20 821 820 822
70 20 779 778 780
71 20 461 460 462
72 1 128 130 131
73 2 128 130 131
74 20 266 265 267
75 20 287 286 288
76 20 659 658 660
77 20 602 601 603
78 20 305 304 306
79 20 830 829 831
80 20 527 526 528
81 20 359 358 360
82 20 308 307 309
83 1 144 146 147
84 2 144 146 147
85 20 506 505 507
86 1 40 42 43
87 2 40 42 43
88 1 44 46 47
89 2 44 46 47
90 20 737 736 738
91 20 707 706 708
92 20 353 352 354
93 20 314 313 315
94 20 284 283 285
95 20 239 238 240
96 20 368 367 369
97 20 437 436 438
98 20 839 838 840
99 20 482 481 483
100 20 371 370 372
101 20 377 376 378
102 20 494 493 495
103 20 836 835 837
104 1 184 186 187
105 2 184 186 187
106 1 164 166 167
107 2 164 166 167
108 20 509 508 510
109 20 806 805 807
110 20 338 337 339
111 20 485 484 486
112 1 60 62 63
113 2 60 62 63
114 1 64 66 67
115 2 64 66 67
116 20 887 886 888
117 20 611 610 612
118 20 911 910 912
119 20 671 670 672
120 20 689 688 690
121 20 917 916 918
122 20 236 235 237
123 20 299 298 300
124 20 365 364 366
125 20 413 412 414
126 20 476 475 477
127 20 734 733 735
128 1 204 206 207
129 2 204 206 207
130 20 557 556 558
131 20 458 457 459
132 1 80 82 83
133 2 80 82 83
134 1 104 106 107
135 2 104 106 107
136 1 84 86 87
137 2 84 86 87
138 1 100 102 103
139 2 100 102 103
140 20 695 694 696
141 20 560 559 561
142 20 884 883 885
143 20 854 853 855
144 20 770 769 771
145 20 740 739 741
146 20 515 514 516
147 20 896 895 897
148 20 665 664 666
149 20 767 766 768
150 20 683 682 684
151 20 419 418 420
152 1 224 226 227
153 2 224 226 227
154 20 644 643 645
155 20 416 415 417
156 20 404 403 405
157 1 120 122 123
158 2 120 122 123
159 1 124 126 127
160 2 124 126 127
161 20 851 850 852
162 20 356 355 357
163 20 290 289 291
164 20 317 316 318
165 20 443 442 444
166 20 344 343 345
167 20 311 310 312
168 20 626 625 627
169 20 260 259 261
170 1 160 162 163
171 2 160 162 163
172 1 140 142 143
173 2 140 142 143
174 20 245 244 246
175 20 638 637 639
176 1 36 38 39
177 2 36 38 39
178 20 542 541 543
179 20 815 814 816
180 20 653 652 654
181 20 326 325 327
182 20 575 574 576
183 20 293 292 294
184 20 605 604 606
185 20 593 592 594
186 20 719 718 720
187 20 281 280 282
188 20 551 550 552
189 20 470 469 471
190 20 431 430 432
191 20 257 256 258
192 20 791 790 792
193 20 812 811 813
194 1 180 182 183
195 2 180 182 183
196 20 698 697 699
197 20 536 535 537
198 1 56 58 59
199 2 56 58 59
200 20 773 772 774
201 20 569 568 570
202 20 728 727 729
203 20 389 388 390
204 20 704 703 705
205 20 539 538 540
206 20 248 247 249
207 20 692 691 693
208 20 647 646 648
209 20 554 553 555
210 20 863 862 864
211 1 200 202 203
212 2 200 202 203
213 20 566 565 567
214 20 341 340 342
215 1 76 78 79
216 2 76 78 79
217 1 96 98 99
218 2 96 98 99
219 20 668 667 669
220 20 833 832 834
221 20 758 757 759
222 7 25 28 31
223 7 25 28 30
224 7 25 28 29
225 15 29 28 31
226 15 29 28 30
227 15 30 28 31
228 20 500 499 501
229 20 860 859 861
230 20 452 451 453
231 20 677 676 678
232 20 524 523 525
233 1 220 222 223
234 2 220 222 223
235 20 329 328 330
236 20 518 517 519
237 1 116 118 119
238 2 116 118 119
239 20 296 295 297
240 20 428 427 429
241 20 380 379 381
242 20 410 409 411
243 20 242 241 243
244 6 2 17 23
245 3 2 17 19
246 3 2 17 18
247 14 18 17 23
248 13 18 17 19
249 14 19 17 23
250 19 1 5 16
251 19 1 5 15
252 19 1 5 14
253 18 14 5 16
254 18 14 5 15
255 18 15 5 16
256 19 1 4 13
257 19 1 4 12
258 19 1 4 11
259 18 11 4 13
260 18 11 4 12
261 18 12 4 13
262 5 1 2 17
263 17 1 2 7
264 17 1 2 6
265 4 6 2 17
266 16 6 2 7
267 4 7 2 17
268 9 20 24 25
269 11 24 25 28
270 14 24 25 27
271 14 24 25 26
272 10 26 25 28
273 13 26 25 27
274 10 27 25 28
275 9 20 23 17
276 21 21 20 22
277 22 23 20 22
278 22 23 20 21
279 23 23 20 24
280 22 24 20 22
281 22 24 20 21
282 8 2 1 5
283 8 2 1 4
284 8 2 1 3
285 12 3 1 5
286 12 3 1 4
287 12 4 1 5
288 19 1 3 10
289 19 1 3 9
290 19 1 3 8
291 18 8 3 10
292 18 8 3 9
293 18 9 3 10
294 20 764 763 765
295 20 824 823 825
296 20 398 397 399
297 20 521 520 522
298 20 446 445 447
299 1 136 138 139
300 2 136 138 139
301 1 132 134 135
302 2 132 134 135
303 20 545 544 546
304 20 278 277 279
305 20 635 634 636
306 1 32 34 35
307 2 32 34 35
308 20 374 373 375
309 20 251 250 252
310 20 620 619 621
311 20 599 598 600
312 20 395 394 396
313 20 914 913 915
314 20 857 856 858
315 20 725 724 726
316 20 581 580 582
317 20 920 919 921
318 20 752 751 753
319 20 710 709 711
320 1 156 158 159
321 2 156 158 159
322 1 152 154 155
323 2 152 154 155
324 1 176 178 179
325 2 176 178 179
326 1 172 174 175
327 2 172 174 175
328 20 590 589 591
329 1 52 54 55
330 2 52 54 55
331 20 335 334 336
332 20 902 901 903
333 20 731 730 732
334 20 491 490 492
335 20 842 841 843
336 20 548 547 549
337 20 407 406 408
338 20 782 781 783
339 20 596 595 597
340 20 272 271 273
341 20 263 262 264
342 20 632 631 633
343 20 800 799 801
344 20 572 571 573
345 20 722 721 723
346 20 617 616 618
347 1 192 194 195
348 2 192 194 195
349 1 196 198 199
350 2 196 198 199
351 20 497 496 498
352 20 743 742 744
353 1 72 74 75
354 2 72 74 75
355 1 92 94 95
356 2 92 94 95
357 20 254 253 255
358 20 401 400 402
359 20 656 655 657
360 20 881 880 882
361 20 716 715 717
362 20 578 577 579
363 20 827 826 828
364 20 533 532 534
365 20 755 754 756
366 20 320 319 321
367 20 866 865 867
368 20 869 868 870
369 20 479 478 480
370 1 212 214 215
371 2 212 214 215
372 1 216 218 219
373 2 216 218 219
374 20 347 346 348
375 20 893 892 894
376 1 112 114 115
377 2 112 114 115
378 20 434 433 435
379 20 680 679 681
380 20 584 583 585
381 20 776 775 777
382 20 803 802 804
383 20 788 787 789
384 20 455 454 456
385 20 674 673 675
386 20 467 466 468

Dihedrals

1 2 2 17 23 20
2 14 18 17 23 20
3 14 19 17 23 20
4 12 1 2 17 18
5 12 1 2 17 19
6 17 1 2 17 23
7 11 6 2 17 18
8 11 6 2 17 19
9 16 6 2 17 23
10 11 7 2 17 18
11 11 7 2 17 19
12 16 7 2 17 23
13 14 20 24 25 26
14 14 20 24 25 27
15 8 20 24 25 28
16 15 24 25 28 29
17 15 24 25 28 30
18 15 24 25 28 31
19 13 26 25 28 29
20 13 26 25 28 30
21 13 26 25 28 31
22 13 27 25 28 29
23 13 27 25 28 30
24 13 27 25 28 31
25 5 17 23 20 24
26 6 17 23 20 24
27 7 17 23 20 24
28 4 17 23 20 21
29 4 17 23 20 22
30 4 21 20 24 25
31 4 22 20 24 25
32 5 23 20 24 25
33 6 23 20 24 25
34 7 23 20 24 25
35 3 2 1 3 8
36 3 2 1 3 9
37 3 2 1 3 10
38 3 2 1 4 11
39 3 2 1 4 12
40 3 2 1 4 13
41 3 2 1 5 14
42 3 2 1 5 15
43 3 2 1 5 16
44 9 3 1 2 6
45 9 3 1 2 7
46 1 3 1 2 17
47 10 3 1 4 11
48 10 3 1 4 12
49 10 3 1 4 13
50 10 3 1 5 14
51 10 3 1 5 15
52 10 3 1 5 16
53 9 4 1 2 6
54 9 4 1 2 7
55 1 4 1 2 17
56 10 4 1 3 8
57 10 4 1 3 9
58 10 4 1 3 10
59 10 4 1 5 14
60 10 4 1 5 15
61 10 4 1 5 16
62 9 5 1 2 6
63 9 5 1 2 7
64 1 5 1 2 17
65 10 5 1 3 8
66 10 5 1 3 9
67 10 5 1 3 10
68 10 5 1 4 11
69 10 5 1 4 12
70 10 5 1 4 13