250.0
400
250
400.0
51
filename
chemlink_hbonds_water_water$0.mml
date
1255101269000
url
/Users/freichsman/Documents/Projects/SAM/revisions/pna-v7/chemlink_hbonds_water_water$0.mml
size
58691
codebase
/Users/freichsman/Documents/Projects/SAM/revisions/lipidcarb-v12
1.0
None
false
-1
-2424832
true
false
false
true
1
1.0
false
263.395492311406
151.04099281180862
0.03147891048069782
0.08963514604713496
2
-2.0
255
255
255
255
false
278.20493039516833
164.75029380040297
0.009482771540979552
-0.012668843946040469
1
1.0
false
271.2971120958415
179.3335664875869
0.12128720346010252
-0.018233846250956597
1
1.0
false
336.7908708070117
113.63245560260309
0.03967524616788613
-0.01994665477311521
2
-2.0
255
255
255
255
false
319.6428394617403
106.95721666401082
0.10163920599775299
-0.005511427576682012
1
1.0
false
314.24487000037783
86.4317194013807
-0.012433454448168117
-0.10644575188073667
1
1.0
false
329.32495525337447
238.66203530063396
-0.04538703858339203
0.03160226680848889
2
-2.0
255
255
255
255
false
316.1367933593869
226.47062801075765
0.04071097343423723
-0.006673960144043645
1
1.0
false
324.5891855546546
207.18480904995104
0.08148102846445358
-0.007959041219214407
1
1.0
false
102.87332370282395
138.81270958771722
-0.009803973397304946
0.0030668670725817015
2
-2.0
255
255
255
255
false
102.58069299988742
120.71900562742131
-0.021518763398319842
-0.011699987293243433
1
1.0
false
121.25563679734495
114.10878197115082
-0.18407957820309243
0.09871580664248301
1
1.0
false
56.7432177601408
192.86922413232952
-0.008806546083776894
0.019708602482949773
2
-2.0
255
255
255
255
false
52.76097520621311
211.23081708147626
0.03133331207201061
-0.02499035765095787
1
1.0
false
35.550143715526296
218.00071070887302
-0.03163367805460458
0.023773499003088307
1
1.0
false
155.37532223923768
174.33716581045664
0.04376315434168514
0.1156731265546516
2
-2.0
255
255
255
255
false
162.20655728052313
191.11511647759846
0.02398624285195551
-0.07060033552454295
1
1.0
false
182.31484183997765
186.49015947314564
-0.017302768964116845
0.046152351757607096
1
1.0
false
344.54650262920813
56.518406977907176
0.0012156649186679733
0.07653241066588941
2
-2.0
255
255
255
255
false
325.0198282220761
53.22206584512673
0.027949637134562434
0.03633745810574982
1
1.0
false
329.92375503767767
31.648494254402756
-0.021964821516008287
-0.008236834328037275
1
1.0
false
59.97348576738448
65.58995885402123
-0.02346023176528441
-0.04287136164575457
2
-2.0
255
255
255
255
false
56.72902695997001
48.10075472057054
0.05002824058459314
0.01974362097050002
1
1.0
false
75.4329737926605
37.25890906512296
-0.03989619598456902
0.04286666308064512
1
1.0
false
229.02409827674433
216.34156297904292
-0.05445699350549368
0.05762693008912858
2
-2.0
255
255
255
255
false
212.85531048045755
200.14918864580716
-0.10331428854615243
-0.08441592552777956
1
1.0
false
225.19293600256938
183.4346540522463
0.0036167447449070344
-0.10474602216969801
1
1.0
false
163.51169913585474
128.54677594473281
0.011061747683616398
0.049801308807782836
2
-2.0
255
255
255
255
false
153.96746663098497
112.9540751521228
-0.07109362099037503
0.09199109164052409
1
1.0
false
165.53710091766777
97.52211132708301
0.014930776999542776
0.029491309579100983
1
1.0
false
356.1088040303254
173.12944175845047
-0.023550837579974712
-0.06752386872562427
2
-2.0
255
255
255
255
false
344.6803728942546
187.54217869399727
0.05752245366315846
0.04721732112847895
1
1.0
false
328.6270488279714
174.87779793005046
-0.028283079004556524
0.08820635879177446
1
1.0
false
249.00580647580227
102.33626894373083
-0.030140361570861803
0.00561550900584458
2
-2.0
255
255
255
255
false
256.2061446972938
87.82742164636849
-0.05789585694198046
-0.012933091293065191
1
1.0
false
276.6849764782571
87.92259858671645
-0.006313804867008771
-0.005274767016103881
1
1.0
false
219.51039804375588
44.16931316640263
0.07623665026725703
0.018595697786478536
2
-2.0
255
255
255
255
false
236.37954317917672
41.67032866884196
-0.007202372756739557
0.017736706526199252
1
1.0
false
244.920287187479
57.82519383033444
-0.058384576066636454
0.026308877426344496
1
1.0
false
144.86424151165642
66.30898765285264
0.09743592132159064
-0.04434030502672795
2
-2.0
255
255
255
255
false
156.3000198394373
51.83394983064021
-0.0057230467864054675
0.033107593864404344
1
1.0
false
149.1857287291876
34.440087601187045
-0.026703934414112254
0.04851595066746118
1
1.0
false
108.61243005360974
217.51065608827142
-0.023581455177596317
0.006284209226815925
2
-2.0
255
255
255
255
false
113.26305991537657
198.6729955353073
-0.025970703489516297
0.012214049171857543
1
1.0
false
130.9929800733254
201.97985060876763
0.0475690491048808
-0.018400991142881316
1
1.0
false
373.11989531299406
152.75023071114143
0.08044287657742145
-0.07490420343097384
2
-2.0
255
255
255
255
false
358.24054500478513
141.2236569756517
-0.05141994955733951
0.025822075320737756
1
1.0
false
342.5192871798284
142.9142838253811
0.05798216057858478
0.06358067867964493
1
1.0
false
36.343710415352085
101.32686456715516
0.06945653683573448
0.013412820631112406
2
-2.0
255
255
255
255
false
56.28736001046793
98.72326068082843
0.07103850252776853
0.00902995832121719
1
1.0
false
71.72524956894601
111.08824441160218
0.161306671322743
0.07311155882237722
17
34
1
20.0
0.2
2
1
20.0
0.2
3
4
20.0
0.2
5
4
20.0
0.2
6
7
20.0
0.2
8
7
20.0
0.2
9
10
20.0
0.2
11
10
20.0
0.2
12
13
20.0
0.2
14
13
20.0
0.2
15
16
20.0
0.2
17
16
20.0
0.2
18
19
20.0
0.2
20
19
20.0
0.2
21
22
20.0
0.2
23
22
20.0
0.2
24
25
20.0
0.2
26
25
20.0
0.2
27
28
20.0
0.2
29
28
20.0
0.2
30
31
20.0
0.2
32
31
20.0
0.2
33
34
20.0
0.2
35
34
20.0
0.2
36
37
20.0
0.2
38
37
20.0
0.2
39
40
20.0
0.2
41
40
20.0
0.2
42
43
20.0
0.2
44
43
20.0
0.2
45
46
20.0
0.2
47
46
20.0
0.2
48
49
20.0
0.2
50
49
20.0
0.2
2
1
1.8325957145940461
5.0
3
5
4
1.8325957145940461
5.0
6
8
7
1.8325957145940461
5.0
9
11
10
1.8325957145940461
5.0
12
14
13
1.8325957145940461
5.0
15
17
16
1.8325957145940461
5.0
18
20
19
1.8325957145940461
5.0
21
23
22
1.8325957145940461
5.0
24
26
25
1.8325957145940461
5.0
27
29
28
1.8325957145940461
5.0
30
32
31
1.8325957145940461
5.0
33
35
34
1.8325957145940461
5.0
36
38
37
1.8325957145940461
5.0
39
41
40
1.8325957145940461
5.0
42
44
43
1.8325957145940461
5.0
45
47
46
1.8325957145940461
5.0
48
50
49
1.8325957145940461
5.0