Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=2.570972137153149
cohesive_energy=-2.90814344205171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 563.9047749410751
Energy: 571.3309699602268
Energy: 563.9047749410738
Energy: 571.3309699602268
Energy: 563.9047749410744
Energy: 571.3309699602274
Energy: 571.3309699602268
Energy: 582.3112579873033
Energy: 571.3309699602268
Energy: 581.9913130699738
Energy: 571.3309699602274
Energy: 577.2111672526335
Energy: 563.9047749410744
Energy: 571.3309699602268
Energy: 563.9047749410751
Energy: 571.3309699602268
Energy: 563.9047749410751
Energy: 571.3309699602274
Energy: 571.3309699602268
Energy: 581.9913130699725
Energy: 571.3309699602268
Energy: 574.334407049719
Energy: 571.3309699602268
Energy: 574.3344070497195
Energy: 563.9047749410732
Energy: 571.3309699602274
Energy: 563.9047749410751
Energy: 571.3309699602268
Energy: 563.9047749410756
Energy: 571.3309699602274
Energy: 571.3309699602274
Energy: 577.2111672526335
Energy: 571.3309699602274
Energy: 574.3344070497195
Energy: 571.3309699602274
Energy: 574.3344070497202

minimum gb energy = 563.9047749410732 eV
minimum distance =  1.42168755964136 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 907.7719068539603
Energy: 917.5378260986171
Energy: 907.7719068539619
Energy: 917.5378260986171
Energy: 907.7719068539619
Energy: 917.5378260986171
Energy: 913.4157250997923
Energy: 920.689903709974
Energy: 913.4157250997923
Energy: 920.689903709974
Energy: 913.4157250997923
Energy: 920.6899037099756
Energy: 916.0910917584401
Energy: 917.7266657016488
Energy: 916.0910917584401
Energy: 917.7266657016488
Energy: 916.0910917584387
Energy: 917.7266657016488
Energy: 916.4709823501247
Energy: 914.978453186518
Energy: 916.4709823501232
Energy: 914.9784531865195
Energy: 916.4709823501232
Energy: 914.9784531865195
Energy: 917.9709049836028
Energy: 917.9814204502779
Energy: 917.9709049836028
Energy: 917.9814204502779
Energy: 917.9709049836028
Energy: 917.9814204502779
Energy: 917.282589854302
Energy: 917.6646036908639
Energy: 917.282589854302
Energy: 917.6646036908639
Energy: 917.2825898543005
Energy: 917.6646036908639
Energy: 915.6115373609435
Energy: 912.390684529151
Energy: 915.6115373609435
Energy: 912.3906845291523
Energy: 915.6115373609435
Energy: 912.3906845291523
Energy: 916.7572756729252
Energy: 910.013936261928
Energy: 916.7572756729252
Energy: 910.013936261928
Energy: 916.7572756729252
Energy: 910.013936261928
Energy: 917.401778888296
Energy: 911.3284667047249
Energy: 917.4017788882946
Energy: 911.3284667047249
Energy: 917.4017788882946
Energy: 911.3284667047249
Energy: 918.398819333017
Energy: 917.7298402180691
Energy: 918.3988193330185
Energy: 917.7298402180691
Energy: 918.3988193330185
Energy: 917.7298402180691
Energy: 916.1511229422672
Energy: 914.347273234146
Energy: 916.1511229422672
Energy: 914.3472732341446
Energy: 916.1511229422655
Energy: 914.347273234146
Energy: 914.6026072902896
Energy: 917.0465827155589
Energy: 914.6026072902896
Energy: 917.0465827155589
Energy: 914.6026072902896
Energy: 917.0465827155575
Energy: 917.7618743440288
Energy: 919.9543348753707
Energy: 917.7618743440302
Energy: 919.9543348753707
Energy: 917.7618743440273
Energy: 919.9543348753707
Energy: 910.4485053575912
Energy: 917.6790822002564
Energy: 910.4485053575912
Energy: 917.6790822002579
Energy: 910.4485053575912
Energy: 917.6790822002564
Energy: 912.8282539774626
Energy: 917.622755375777
Energy: 912.828253977464
Energy: 917.6227553757785
Energy: 912.8282539774626
Energy: 917.6227553757785
Energy: 913.6014146710858
Energy: 917.9423337423713
Energy: 913.6014146710858
Energy: 917.9423337423713
Energy: 913.6014146710858
Energy: 917.9423337423698
Energy: 918.4614016012802
Energy: 916.3141466041642
Energy: 918.4614016012815
Energy: 916.3141466041642
Energy: 918.4614016012802
Energy: 916.3141466041657
Energy: 917.579557199045
Energy: 911.8570095486958
Energy: 917.579557199045
Energy: 911.8570095486958
Energy: 917.5795571990435
Energy: 911.8570095486958
Energy: 918.6341035137361
Energy: 917.9584878558076
Energy: 918.6341035137361
Energy: 917.958487855806
Energy: 918.6341035137361
Energy: 917.958487855806
Energy: 913.2387555982306
Energy: 917.1990658160122
Energy: 913.2387555982306
Energy: 917.1990658160122
Energy: 913.2387555982306
Energy: 917.1990658160122
Energy: 915.5553039084998
Energy: 917.641226491213
Energy: 915.5553039084998
Energy: 917.6412264912145
Energy: 915.5553039084998
Energy: 917.641226491213
Energy: 917.9727217946374
Energy: 911.375835428552
Energy: 917.9727217946389
Energy: 911.375835428552
Energy: 917.9727217946374
Energy: 911.3758354285534
Energy: 924.2160635291873
Energy: 912.7821475964082
Energy: 924.2160635291873
Energy: 912.7821475964082
Energy: 924.2160635291857
Energy: 912.7821475964082

minimum gb energy = 907.7719068539603 eV
minimum distance =  1.42409157132828 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 803.4682939765202
Energy: 804.466017300522
Energy: 803.4682939765219
Energy: 804.4660173005229
Energy: 803.4682939765202
Energy: 804.466017300522
Energy: 806.6965620094389
Energy: 802.677198316105
Energy: 806.6965620094397
Energy: 802.6771983161042
Energy: 806.6965620094389
Energy: 802.6771983161034
Energy: 803.1255094675122
Energy: 807.5349017701827
Energy: 803.125509467513
Energy: 807.5349017701838
Energy: 803.1255094675107
Energy: 807.5349017701827
Energy: 806.4607512596345
Energy: 803.2563312381903
Energy: 806.460751259638
Energy: 803.2563312381903
Energy: 806.4607512596345
Energy: 803.2563312381884
Energy: 803.1095385855707
Energy: 795.1134383325784
Energy: 803.1095385855699
Energy: 795.1134383325777
Energy: 803.1095385855682
Energy: 795.1134383325758
Energy: 804.5775778322151
Energy: 805.6929345254898
Energy: 804.5775778322159
Energy: 805.6929345254907
Energy: 804.5775778322133
Energy: 805.6929345254898
Energy: 804.4701027625807
Energy: 803.5526784355086
Energy: 804.4701027625978
Energy: 803.552678435507
Energy: 804.4701027625968
Energy: 803.552678435507
Energy: 808.1546432588873
Energy: 804.2829121390179
Energy: 808.1546432588847
Energy: 804.282912139016
Energy: 808.1546432588855
Energy: 804.282912139016
Energy: 807.3820648582516
Energy: 802.2126948878713
Energy: 807.3820648582525
Energy: 802.212694887872
Energy: 807.3820648582506
Energy: 802.2126948878713
Energy: 810.6957785653749
Energy: 801.0683646210204
Energy: 810.6957785653742
Energy: 801.0683646210204
Energy: 810.6957785653734
Energy: 801.0683646210204
Energy: 800.4381723720564
Energy: 811.7274660197136
Energy: 800.4381723720564
Energy: 811.7274660197136
Energy: 800.4381723720549
Energy: 811.7274660197145
Energy: 801.551178867
Energy: 807.6477659207751
Energy: 801.5511788670008
Energy: 807.647765920776
Energy: 801.5511788669991
Energy: 807.6477659207751
Energy: 805.000237549928
Energy: 809.1399095644529
Energy: 805.000237549928
Energy: 809.139909564452
Energy: 805.0002375499273
Energy: 809.1399095644502
Energy: 803.4565819814956
Energy: 804.9771709200799
Energy: 803.4565819814964
Energy: 804.9771709200799
Energy: 803.4565819814945
Energy: 804.9771709200782
Energy: 800.5545739367765
Energy: 803.4095821814369
Energy: 800.5545739367781
Energy: 803.409582181436
Energy: 800.5545739367765
Energy: 803.4095821814352
Energy: 806.1904349349392
Energy: 804.0956911359517
Energy: 806.19043493494
Energy: 804.09569113595
Energy: 806.1904349349373
Energy: 804.0956911359508
Energy: 803.4336398609402
Energy: 804.2335929080444
Energy: 803.4336398609408
Energy: 804.2335929080444
Energy: 803.4336398609382
Energy: 804.2335929080417
Energy: 805.5827519336536
Energy: 806.338686746325
Energy: 805.5827519336528
Energy: 806.338686746324
Energy: 805.5827519336511
Energy: 806.3386867463231
Energy: 802.7592083596575
Energy: 800.7695813856733
Energy: 802.7592083596581
Energy: 800.7695813856726
Energy: 802.7592083596567
Energy: 800.7695813856717
Energy: 804.5488037090001
Energy: 803.4646076063118
Energy: 804.5488037090009
Energy: 803.4646076063109
Energy: 804.5488037090001
Energy: 803.4646076063102
Energy: 808.2434463005177
Energy: 806.0366168129852
Energy: 808.2434463005194
Energy: 806.0366168129846
Energy: 808.2434463005169
Energy: 806.0366168129835
Energy: 806.9084534618377
Energy: 801.7126642194893
Energy: 806.9084534618403
Energy: 801.7126642194884
Energy: 806.9084534618377
Energy: 801.7126642194866
Energy: 811.5960075116143
Energy: 800.1477806522248
Energy: 811.5960075116118
Energy: 800.1477806522258
Energy: 811.5960075116126
Energy: 800.147780652224
Energy: 802.2131032173955
Energy: 802.7897396407895
Energy: 802.2131032173955
Energy: 802.7897396407885
Energy: 802.2131032173945
Energy: 802.7897396407869
Energy: 803.5411274023156
Energy: 805.9255335392927
Energy: 803.5411274023176
Energy: 805.9255335392919
Energy: 803.5411274023156
Energy: 805.9255335392909
Energy: 803.7985273533657
Energy: 799.6076479341656
Energy: 803.7985273533682
Energy: 799.6076479341656
Energy: 803.7985273533657
Energy: 799.6076479341648
Energy: 803.8056602818641
Energy: 799.5796251001528
Energy: 803.8056602818649
Energy: 799.5796251001535
Energy: 803.8056602818624
Energy: 799.5796251001528
Energy: 803.5393870263182
Energy: 805.9241870377866
Energy: 803.5393870263182
Energy: 805.9241870377866
Energy: 803.5393870263148
Energy: 805.9241870377859
Energy: 802.3188221230312
Energy: 802.8123708740069
Energy: 802.3188221230329
Energy: 802.8123708740069
Energy: 802.3188221230304
Energy: 802.8123708740061
Energy: 811.5690630508883
Energy: 800.1391212115523
Energy: 811.5690630508892
Energy: 800.1391212115532
Energy: 811.5690630508883
Energy: 800.1391212115515
Energy: 806.8513333355995
Energy: 801.7115105409792
Energy: 806.8513333355995
Energy: 801.7115105409792
Energy: 806.8513333355988
Energy: 801.7115105409782
Energy: 808.3189733920643
Energy: 806.0275825002395
Energy: 808.3189733920643
Energy: 806.0275825002403
Energy: 808.3189733920627
Energy: 806.0275825002395
Energy: 804.5574863369077
Energy: 803.463484486209
Energy: 804.5574863369086
Energy: 803.463484486209
Energy: 804.5574863369077
Energy: 803.4634844862082
Energy: 802.7392916307709
Energy: 800.8529740386996
Energy: 802.7392916307718
Energy: 800.8529740386996
Energy: 802.7392916307709
Energy: 800.8529740386996
Energy: 805.6213903534583
Energy: 806.3386791321279
Energy: 805.6213903534592
Energy: 806.3386791321279
Energy: 805.6213903534574
Energy: 806.3386791321269
Energy: 803.4300926620778
Energy: 804.2290539818804
Energy: 803.4300926620796
Energy: 804.2290539818804
Energy: 803.4300926620778
Energy: 804.2290539818796
Energy: 806.1257288787136
Energy: 804.0660445571162
Energy: 806.1257288787118
Energy: 804.0660445571162
Energy: 806.1257288787102
Energy: 804.0660445571162
Energy: 800.4740883450052
Energy: 803.4217217618088
Energy: 800.4740883450071
Energy: 803.4217217618088
Energy: 800.4740883450052
Energy: 803.421721761808
Energy: 803.4570980724268
Energy: 804.945054253644
Energy: 803.4570980724283
Energy: 804.945054253644
Energy: 803.4570980724276
Energy: 804.9450542536431
Energy: 805.0193539342912
Energy: 809.0770418221243
Energy: 805.0193539342912
Energy: 809.0770418221243
Energy: 805.0193539342903
Energy: 809.0770418221235
Energy: 801.5506012444869
Energy: 807.692673999785
Energy: 801.5506012444877
Energy: 807.6926739997857
Energy: 801.5506012444877
Energy: 807.6926739997857

minimum gb energy = 795.1134383325758 eV
minimum distance =  1.38639358641703 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 686.5083560766411
Energy: 692.5239345504328
Energy: 686.5083560766411
Energy: 692.5239345504309
Energy: 686.5083560766411
Energy: 692.5239345504309
Energy: 695.4669328773892
Energy: 697.221645719419
Energy: 695.4669328773892
Energy: 697.221645719419
Energy: 695.4669328773892
Energy: 697.221645719419
Energy: 696.5781105153114
Energy: 695.0780510788774
Energy: 696.5781105153114
Energy: 695.0780510788774
Energy: 696.5781105153114
Energy: 695.0780510788774
Energy: 698.1845554464037
Energy: 696.8759259632667
Energy: 698.1845554464019
Energy: 696.8759259632667
Energy: 698.1845554464037
Energy: 696.8759259632667
Energy: 692.14603288579
Energy: 694.6572859128802
Energy: 692.14603288579
Energy: 694.6572859128802
Energy: 692.14603288579
Energy: 694.6572859128802
Energy: 692.2476221580187
Energy: 693.0457700006377
Energy: 692.2476221580187
Energy: 693.0457700006377
Energy: 692.2476221580187
Energy: 693.0457700006377
Energy: 696.1707223872339
Energy: 691.6475394747313
Energy: 696.1707223872339
Energy: 691.6475394747313
Energy: 696.1707223872321
Energy: 691.6475394747313
Energy: 697.7784798771405
Energy: 694.2897306598512
Energy: 697.7784798771405
Energy: 694.2897306598494
Energy: 697.7784798771405
Energy: 694.2897306598512
Energy: 698.7500287092171
Energy: 697.4247957739855
Energy: 698.7500287092171
Energy: 697.4247957739855
Energy: 698.7500287092171
Energy: 697.4247957739855
Energy: 690.2311954213939
Energy: 690.9027574672657
Energy: 690.2311954213939
Energy: 690.9027574672657
Energy: 690.2311954213939
Energy: 690.9027574672657
Energy: 690.7164935193239
Energy: 699.592085280503
Energy: 690.7164935193239
Energy: 699.592085280503
Energy: 690.7164935193239
Energy: 699.592085280503
Energy: 686.5170908400967
Energy: 692.5197541217165
Energy: 686.5170908400967
Energy: 692.5197541217165
Energy: 686.5170908400967
Energy: 692.5197541217165
Energy: 695.1672288184322
Energy: 698.080662079213
Energy: 695.1672288184302
Energy: 698.080662079213
Energy: 695.1672288184322
Energy: 698.080662079213
Energy: 698.6289057212207
Energy: 694.0996995584229
Energy: 698.6289057212207
Energy: 694.0996995584229
Energy: 698.6289057212207
Energy: 694.0996995584229
Energy: 697.6588739941539
Energy: 691.4739387510785
Energy: 697.6588739941539
Energy: 691.4739387510785
Energy: 697.6588739941539
Energy: 691.4739387510785
Energy: 692.7182428268061
Energy: 692.3904180866723
Energy: 692.7182428268081
Energy: 692.3904180866723
Energy: 692.7182428268061
Energy: 692.3904180866704
Energy: 691.8666374581334
Energy: 689.7610130393032
Energy: 691.8666374581334
Energy: 689.7610130393032
Energy: 691.8666374581334
Energy: 689.7610130393032
Energy: 698.2388703125123
Energy: 691.1391391008749
Energy: 698.2388703125123
Energy: 691.1391391008749
Energy: 698.2388703125123
Energy: 691.1391391008749

minimum gb energy = 686.5083560766411 eV
minimum distance =  1.46716235610905 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 578.5032985828667
Energy: 592.9450002247314
Energy: 578.503298582868
Energy: 592.9450002247314
Energy: 578.5032985828667
Energy: 592.9450002247326
Energy: 588.7944341312972
Energy: 579.2143416205636
Energy: 588.7944341312984
Energy: 579.2143416205636
Energy: 588.7944341312972
Energy: 579.2143416205624
Energy: 591.933436692664
Energy: 583.4743477868119
Energy: 591.9334366926653
Energy: 583.4743477868119
Energy: 591.9334366926653
Energy: 583.4743477868119
Energy: 580.6372622871895
Energy: 591.6651857215973
Energy: 580.6372622871895
Energy: 591.6651857215961
Energy: 580.6372622871884
Energy: 591.6651857215961
Energy: 587.0594100424947
Energy: 580.1697268607732
Energy: 587.0594100424947
Energy: 580.1697268607732
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0449373961632
Energy: 580.1954698377473
Energy: 587.0449373961632
Energy: 580.1954698377473
Energy: 587.0449373961632
Energy: 580.1954698377473
Energy: 580.6397825555401
Energy: 591.5912863209345
Energy: 580.6397825555401
Energy: 591.5912863209345
Energy: 580.6397825555389
Energy: 591.5912863209345
Energy: 591.8982166533258
Energy: 583.3289305992337
Energy: 591.898216653327
Energy: 583.3289305992337
Energy: 591.898216653327
Energy: 583.3289305992337
Energy: 588.6944875994052
Energy: 579.2380774328037
Energy: 588.694487599404
Energy: 579.2380774328037
Energy: 588.6944875994029
Energy: 579.2380774328037
Energy: 578.5032985828667
Energy: 592.9450002247302
Energy: 578.5032985828667
Energy: 592.9450002247302
Energy: 578.503298582868
Energy: 592.945000224729
Energy: 588.7944341312996
Energy: 579.2143416205636
Energy: 588.7944341312996
Energy: 579.2143416205636
Energy: 588.7944341313007
Energy: 579.2143416205636
Energy: 591.933436692664
Energy: 583.4743477868132
Energy: 591.933436692664
Energy: 583.4743477868119
Energy: 591.9334366926653
Energy: 583.4743477868119
Energy: 580.6372622871895
Energy: 591.665185721595
Energy: 580.6372622871895
Energy: 591.6651857215961
Energy: 580.6372622871895
Energy: 591.6651857215961
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0594100424947
Energy: 580.1697268607708
Energy: 587.0449373961666
Energy: 580.1954698377473
Energy: 587.0449373961666
Energy: 580.1954698377473
Energy: 587.0449373961666
Energy: 580.1954698377473
Energy: 580.6397825555376
Energy: 591.5912863209367
Energy: 580.6397825555389
Energy: 591.5912863209367
Energy: 580.6397825555401
Energy: 591.5912863209367
Energy: 591.8982166533281
Energy: 583.3289305992326
Energy: 591.8982166533281
Energy: 583.3289305992315
Energy: 591.8982166533281
Energy: 583.3289305992315
Energy: 588.694487599404
Energy: 579.2380774328049
Energy: 588.694487599404
Energy: 579.2380774328049
Energy: 588.6944875994029
Energy: 579.2380774328049
Energy: 578.503298582868
Energy: 592.9450002247314
Energy: 578.5032985828691
Energy: 592.9450002247314
Energy: 578.503298582868
Energy: 592.9450002247314
Energy: 588.7944341312996
Energy: 579.214341620566
Energy: 588.7944341312996
Energy: 579.2143416205647
Energy: 588.7944341312984
Energy: 579.2143416205647
Energy: 591.933436692664
Energy: 583.4743477868141
Energy: 591.933436692664
Energy: 583.4743477868141
Energy: 591.933436692664
Energy: 583.4743477868132
Energy: 580.6372622871884
Energy: 591.665185721595
Energy: 580.6372622871884
Energy: 591.665185721595
Energy: 580.6372622871884
Energy: 591.665185721595
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0594100424947
Energy: 580.1697268607718
Energy: 587.0449373961679
Energy: 580.1954698377473
Energy: 587.0449373961666
Energy: 580.1954698377473
Energy: 587.0449373961679
Energy: 580.195469837746
Energy: 580.6397825555376
Energy: 591.5912863209354
Energy: 580.6397825555364
Energy: 591.5912863209367
Energy: 580.6397825555364
Energy: 591.5912863209367
Energy: 591.8982166533281
Energy: 583.3289305992326
Energy: 591.8982166533281
Energy: 583.3289305992326
Energy: 591.8982166533281
Energy: 583.3289305992315
Energy: 588.694487599404
Energy: 579.2380774328059
Energy: 588.6944875994017
Energy: 579.2380774328049
Energy: 588.6944875994017
Energy: 579.2380774328049
Energy: 578.5032985828691
Energy: 592.9450002247302
Energy: 578.5032985828691
Energy: 592.9450002247302
Energy: 578.5032985828691
Energy: 592.945000224729
Energy: 588.7944341312984
Energy: 579.2143416205636
Energy: 588.7944341312984
Energy: 579.2143416205636
Energy: 588.7944341312984
Energy: 579.2143416205636
Energy: 591.9334366926629
Energy: 583.4743477868141
Energy: 591.9334366926629
Energy: 583.4743477868132
Energy: 591.933436692664
Energy: 583.4743477868141

minimum gb energy = 578.5032985828667 eV
minimum distance =  1.32071138695911 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 709.2124587415357
Energy: 718.3232414582694
Energy: 709.2124587415327
Energy: 718.3232414582694
Energy: 709.2124587415357
Energy: 718.3232414582667
Energy: 717.3489293639911
Energy: 716.2216379065153
Energy: 717.3489293639911
Energy: 716.2216379065153
Energy: 717.3489293639911
Energy: 716.2216379065153
Energy: 724.6046861490909
Energy: 707.5208577500947
Energy: 724.6046861490909
Energy: 707.5208577500947
Energy: 722.8255884761732
Energy: 707.5208577500947
Energy: 719.3695828116676
Energy: 716.9495522068638
Energy: 719.3695828116676
Energy: 716.9495522068638
Energy: 719.3695828116676
Energy: 716.9495522068638
Energy: 718.9028300496922
Energy: 718.1878123904983
Energy: 718.9028300496922
Energy: 718.1878123904926
Energy: 718.9028300496893
Energy: 718.1878123904954
Energy: 719.7031751192766
Energy: 711.2686732232096
Energy: 719.7031751192766
Energy: 711.2686732232096
Energy: 719.7031751192766
Energy: 711.2686732232096
Energy: 725.4820292321839
Energy: 716.261008622042
Energy: 725.4820292321839
Energy: 716.261008622042
Energy: 725.4820292321839
Energy: 716.261008622042
Energy: 709.4883480111985
Energy: 718.6508748282894
Energy: 709.4883480111985
Energy: 718.6508748282894
Energy: 709.4883480111985
Energy: 718.6508748282894
Energy: 717.4448676408489
Energy: 721.2331570037827
Energy: 717.444867640846
Energy: 721.2331570037827
Energy: 717.444867640846
Energy: 721.2331570037827
Energy: 717.4095089404619
Energy: 717.2025077448849
Energy: 717.4095089404619
Energy: 717.2025077448878
Energy: 717.4095089404619
Energy: 717.2025077448849
Energy: 726.0344441477706
Energy: 715.8338319329503
Energy: 726.0344441477706
Energy: 715.8338319329503
Energy: 726.0344441477706
Energy: 715.8338319329503
Energy: 719.414175592772
Energy: 715.7076873776799
Energy: 719.414175592772
Energy: 715.7076873776799
Energy: 719.414175592772
Energy: 715.7076873776799

minimum gb energy = 707.5208577500947 eV
minimum distance =  1.40491597808959 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 847.2547414123935
Energy: 853.6526639326698
Energy: 847.2547414123977
Energy: 853.6526639326698
Energy: 847.2547414123935
Energy: 853.6526639326698
Energy: 846.0798563565437
Energy: 855.7157061732512
Energy: 846.0798563565445
Energy: 855.7157061732512
Energy: 846.0798563565445
Energy: 853.2567862919659
Energy: 853.8889866494736
Energy: 846.8022737547811
Energy: 853.8889866494752
Energy: 846.8022737547803
Energy: 853.888986649472
Energy: 846.8022737547794
Energy: 851.2423289138533
Energy: 846.062016530622
Energy: 851.2423289138557
Energy: 846.0620165306228
Energy: 851.2423289138517
Energy: 846.0620165306213
Energy: 853.8924898570889
Energy: 853.9035350925732
Energy: 853.8924898570906
Energy: 853.9035350925726
Energy: 853.8924898570881
Energy: 853.9035350925726
Energy: 848.0554868987626
Energy: 853.3609950674777
Energy: 848.0554868987645
Energy: 853.3609950674769
Energy: 848.0554868987612
Energy: 852.1390004908783
Energy: 850.7551462514552
Energy: 850.2470572167674
Energy: 850.7551462514577
Energy: 850.2470572167682
Energy: 850.7551462514552
Energy: 850.2470572167682
Energy: 850.4237896358851
Energy: 853.2343023368829
Energy: 850.4237896358876
Energy: 853.2343023368838
Energy: 850.4237896358867
Energy: 853.2343023368838
Energy: 853.2348752651666
Energy: 851.0831200687169
Energy: 853.2348752651648
Energy: 851.0831200687169
Energy: 853.2348752651648
Energy: 851.083120068716
Energy: 855.8042127462587
Energy: 851.8592310986435
Energy: 855.8042127462595
Energy: 851.8592310986427
Energy: 855.8042127462587
Energy: 851.8592310986418
Energy: 852.6089366208175
Energy: 845.3342700047206
Energy: 852.6089366208199
Energy: 845.3342700047206
Energy: 852.6089366208183
Energy: 845.3342700047206
Energy: 854.2496580334151
Energy: 854.8110843032554
Energy: 854.2496580334158
Energy: 854.8110843032554
Energy: 854.2496580334151
Energy: 854.8110843032554
Energy: 847.0598792752377
Energy: 854.3194752711734
Energy: 847.059879275241
Energy: 854.319475271172
Energy: 847.0598792752377
Energy: 854.3194752711726
Energy: 847.4574011439552
Energy: 849.5538480955869
Energy: 847.4574011439584
Energy: 849.5538480955875
Energy: 847.4574011439558
Energy: 849.5538480955875
Energy: 851.2374679591621
Energy: 851.6894410589832
Energy: 851.237467959164
Energy: 851.6894410589823
Energy: 851.237467959163
Energy: 851.6894410589823
Energy: 853.4253657607622
Energy: 852.589331250477
Energy: 853.4253657607629
Energy: 852.589331250477
Energy: 853.4253657607613
Energy: 852.5893312504761
Energy: 854.2121483160843
Energy: 849.0023070435263
Energy: 854.2121483160857
Energy: 849.0023070435254
Energy: 854.2121483160835
Energy: 849.0023070435254
Energy: 852.5290958148115
Energy: 850.3909197114775
Energy: 852.5290958148124
Energy: 850.3909197114775
Energy: 852.5290958148107
Energy: 850.3909197114767
Energy: 850.0125850040217
Energy: 854.9017046548812
Energy: 850.012585004024
Energy: 854.9017046548804
Energy: 850.0125850040224
Energy: 854.9017046548789
Energy: 849.8454980766085
Energy: 857.514032113263
Energy: 849.8454980766093
Energy: 857.3879668560371
Energy: 849.8454980766078
Energy: 857.3879668560363
Energy: 850.00819764951
Energy: 854.9471404965641
Energy: 850.0081976495138
Energy: 854.9471404965647
Energy: 850.0081976495106
Energy: 854.9471404965632
Energy: 852.5206914086865
Energy: 850.3892878710204
Energy: 852.5206914086888
Energy: 850.3892878710219
Energy: 852.5206914086879
Energy: 850.3892878710195
Energy: 854.1933412984968
Energy: 848.9783598586686
Energy: 854.1933412984993
Energy: 848.97835985867
Energy: 854.1933412984976
Energy: 848.978359858671
Energy: 853.4542522384868
Energy: 853.2457370182157
Energy: 853.4542522384876
Energy: 853.2457370182174
Energy: 853.4542522384876
Energy: 853.2457370182166
Energy: 851.2367948602989
Energy: 851.6933981127938
Energy: 851.2367948603047
Energy: 851.6933981127963
Energy: 851.2367948603022
Energy: 851.6933981127946
Energy: 847.4645466274957
Energy: 853.2257400870742
Energy: 847.4645466274998
Energy: 853.2257400870742
Energy: 847.4645466274973
Energy: 853.2257400870735
Energy: 847.0855471940729
Energy: 854.3545616714403
Energy: 847.0855471940762
Energy: 854.3545616714387
Energy: 847.0855471940729
Energy: 854.3545616714387
Energy: 854.2118443285879
Energy: 856.0649049344223
Energy: 854.2118443285887
Energy: 856.0649049344231
Energy: 854.2118443285902
Energy: 856.0649049344215
Energy: 852.6025074167636
Energy: 845.3352639409719
Energy: 852.602507416766
Energy: 845.3352639409719
Energy: 852.6025074167651
Energy: 845.3352639409711
Energy: 855.8092417333767
Energy: 852.3411180523452
Energy: 855.8092417333783
Energy: 852.3411180523452
Energy: 855.8092417333775
Energy: 852.3411180523459
Energy: 853.2976894857914
Energy: 851.0563029461712
Energy: 853.2976894857923
Energy: 851.0563029461728
Energy: 853.29768948579
Energy: 851.056302946172
Energy: 850.4211721146225
Energy: 853.2379676418899
Energy: 850.4211721146249
Energy: 853.2379676418905
Energy: 850.4211721146257
Energy: 853.2379676418891
Energy: 850.7800252074334
Energy: 850.2274592293478
Energy: 850.7800252074366
Energy: 850.2274592293509
Energy: 850.7800252074366
Energy: 850.2274592293492
Energy: 848.0261661181105
Energy: 853.3615791930889
Energy: 848.0261661181129
Energy: 853.3615791930889
Energy: 848.0261661181147
Energy: 853.3615791930882
Energy: 853.839889168901
Energy: 853.9172487220612
Energy: 853.8398891689025
Energy: 853.9172487220604
Energy: 853.8398891688986
Energy: 853.9172487220595
Energy: 851.2276459304236
Energy: 846.0649670118023
Energy: 851.2276459304253
Energy: 846.0649670118023
Energy: 851.2276459304245
Energy: 846.0649670118014
Energy: 853.9074127996624
Energy: 846.811208908175
Energy: 853.9074127996616
Energy: 846.8112089081757
Energy: 853.9074127996607
Energy: 846.8112089081757
Energy: 846.0719165402791
Energy: 855.8003983683385
Energy: 846.0719165402814
Energy: 855.8003983683393
Energy: 846.0719165402814
Energy: 855.8003983683385
Energy: 847.2547414124001
Energy: 853.6526639326739
Energy: 847.2547414124026
Energy: 853.6526639326739
Energy: 847.2547414124018
Energy: 853.6526639326745
Energy: 846.0798563565397
Energy: 853.1384486488759
Energy: 846.079856356543
Energy: 853.1384486488774
Energy: 846.0798563565412
Energy: 853.1384486488759
Energy: 853.88898664948
Energy: 846.8022737547748
Energy: 853.8889866494792
Energy: 846.8022737547755
Energy: 853.8889866494768
Energy: 846.8022737547764
Energy: 851.2423289138557
Energy: 846.0620165306188
Energy: 851.2423289138582
Energy: 846.0620165306213
Energy: 851.2423289138549
Energy: 846.0620165306207
Energy: 853.8924898570921
Energy: 853.9035350925676
Energy: 853.8924898570937
Energy: 853.9035350925668
Energy: 853.8924898570912
Energy: 853.903535092566

minimum gb energy = 845.3342700047206 eV
minimum distance =  1.38241191565097 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 748.5318612200666
Energy: 749.1544053865775
Energy: 748.5318612200666
Energy: 749.1544053865812
Energy: 748.5318612200666
Energy: 749.1544053865812
Energy: 739.6600386319056
Energy: 759.870846725649
Energy: 739.6600386319056
Energy: 759.870846725649
Energy: 739.6600386319056
Energy: 759.8708467256473
Energy: 748.0567596499143
Energy: 750.1032006973053
Energy: 748.056759649916
Energy: 750.1032006973053
Energy: 748.0567596499143
Energy: 750.1032006973053
Energy: 750.7013324779987
Energy: 750.3834226940844
Energy: 750.7013324779987
Energy: 750.3834226940824
Energy: 750.7013324779967
Energy: 750.3834226940824
Energy: 739.638763038153
Energy: 739.7928111068961
Energy: 739.638763038153
Energy: 739.7928111068961
Energy: 739.638763038153
Energy: 739.7928111068944
Energy: 752.1520250918248
Energy: 744.0724464640718
Energy: 752.1520250918248
Energy: 744.0724464640718
Energy: 752.1520250918269
Energy: 744.0724464640699
Energy: 752.1243914447584
Energy: 744.0965155471989
Energy: 752.1243914447568
Energy: 744.0965155471989
Energy: 752.1243914447584
Energy: 744.0965155471989
Energy: 739.6436204803815
Energy: 739.7816222639193
Energy: 739.6436204803815
Energy: 739.7816222639193
Energy: 739.6436204803815
Energy: 739.7816222639193
Energy: 749.4528208580803
Energy: 750.3824463653318
Energy: 749.4528208580803
Energy: 750.3824463653318
Energy: 749.4528208580823
Energy: 750.3824463653318
Energy: 748.0125683638838
Energy: 750.224228471241
Energy: 748.0125683638838
Energy: 750.2242284712428
Energy: 748.0125683638819
Energy: 750.2242284712428
Energy: 739.6374070945049
Energy: 759.682305419348
Energy: 739.6374070945049
Energy: 759.6823054193462
Energy: 739.6374070945049
Energy: 759.682305419348
Energy: 748.5318612200646
Energy: 749.1544053865756
Energy: 748.5318612200666
Energy: 749.1544053865756
Energy: 748.5318612200666
Energy: 749.1544053865775
Energy: 739.6600386319076
Energy: 759.8708467256399
Energy: 739.6600386319076
Energy: 759.8708467256399
Energy: 739.6600386319076
Energy: 759.8708467256399
Energy: 748.0567596499179
Energy: 750.1032006973106
Energy: 748.0567596499179
Energy: 750.103200697309
Energy: 748.0567596499179
Energy: 750.103200697309
Energy: 750.7013324780023
Energy: 750.3834226940844
Energy: 750.7013324780023
Energy: 750.3834226940844
Energy: 750.7013324780023
Energy: 750.3834226940844
Energy: 739.638763038153
Energy: 739.7928111068961
Energy: 739.638763038153
Energy: 739.7928111068961
Energy: 739.638763038153
Energy: 739.7928111068961
Energy: 752.1520250918248
Energy: 744.0724464640699
Energy: 752.1520250918269
Energy: 744.0724464640699
Energy: 752.1520250918269
Energy: 744.0724464640718
Energy: 752.1243914447584
Energy: 744.0965155471989
Energy: 752.1243914447584
Energy: 744.0965155471989
Energy: 752.1243914447584
Energy: 744.0965155471989
Energy: 739.643620480385
Energy: 739.781622263921
Energy: 739.643620480385
Energy: 739.781622263921
Energy: 739.643620480385
Energy: 739.781622263921

minimum gb energy = 739.6374070945049 eV
minimum distance =  1.81795183242266 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1015.355377067408
Energy: 1019.4166001353882
Energy: 1015.3553770674066
Energy: 1019.4166001353882
Energy: 1015.3553770674054
Energy: 1019.4166001353871
Energy: 1019.9119668266432
Energy: 1025.667042652092
Energy: 1019.9119668266417
Energy: 1025.667042652092
Energy: 1019.9119668266417
Energy: 1025.667042652092
Energy: 1026.6218166471356
Energy: 1015.647995892853
Energy: 1026.6218166471356
Energy: 1015.6479958928544
Energy: 1026.1428216276704
Energy: 1015.647995892853
Energy: 1021.699681509412
Energy: 1020.0203930502723
Energy: 1021.6996815094107
Energy: 1020.0203930502738
Energy: 1021.6996815094093
Energy: 1020.0203930502723
Energy: 1023.738630090404
Energy: 1024.2378472606651
Energy: 1023.7386300904026
Energy: 1024.2378472606651
Energy: 1023.7386300904013
Energy: 1024.2378472606638
Energy: 1016.5659627677394
Energy: 1025.1245874733731
Energy: 1016.5659627677381
Energy: 1025.1245874733715
Energy: 1016.5659627677381
Energy: 1025.1245874733715
Energy: 1023.3015559521709
Energy: 1019.6275654561765
Energy: 1023.3015559521709
Energy: 1019.6275654561765
Energy: 1023.3015559521709
Energy: 1019.6275654561765
Energy: 1022.9103673149654
Energy: 1024.781970333929
Energy: 1022.9103673149639
Energy: 1024.781970333929
Energy: 1022.9103673149627
Energy: 1024.781970333929
Energy: 1023.7995810170612
Energy: 1023.9953384859201
Energy: 1023.7995810170584
Energy: 1023.9953384859216
Energy: 1023.799581017057
Energy: 1023.9953384859201
Energy: 1020.7979551450384
Energy: 1022.9393509814901
Energy: 1020.7979551450369
Energy: 1022.9393509814901
Energy: 1020.7979551450356
Energy: 1022.9393509814901
Energy: 1020.9053814790358
Energy: 1023.9662385784567
Energy: 1020.9053814790345
Energy: 1023.9662385784553
Energy: 1020.9053814790332
Energy: 1023.9662385784567
Energy: 1022.9460566002791
Energy: 1025.197059580318
Energy: 1022.9460566002778
Energy: 1025.197059580318
Energy: 1022.9460566002778
Energy: 1025.197059580318
Energy: 1025.0631549055054
Energy: 1020.1152568729832
Energy: 1025.0631549055067
Energy: 1020.1152568729805
Energy: 1025.0631549055067
Energy: 1020.115256872982
Energy: 1025.8289833684273
Energy: 1020.9713911431132
Energy: 1025.8289833684273
Energy: 1020.9713911431119
Energy: 1025.8289833684273
Energy: 1020.9713911431132
Energy: 1020.8283396097424
Energy: 1024.1285666250833
Energy: 1020.8283396097397
Energy: 1024.1285666252013
Energy: 1020.8283396097397
Energy: 1024.1285666250244
Energy: 1015.3550414793501
Energy: 1019.453727797365
Energy: 1015.3550414793486
Energy: 1019.453727797365
Energy: 1015.3550414793474
Energy: 1019.453727797365
Energy: 1024.4547906063228
Energy: 1024.30017740367
Energy: 1024.4547906063228
Energy: 1024.3001774036686
Energy: 1024.4547906063215
Energy: 1024.30017740367
Energy: 1024.0426978709656
Energy: 1017.6355758683171
Energy: 1024.042697870964
Energy: 1017.6355758683171
Energy: 1024.042697870964
Energy: 1017.6355758683171
Energy: 1021.7368017470874
Energy: 1020.2335639283602
Energy: 1021.7368017470862
Energy: 1020.2335639283602
Energy: 1021.7368017470862
Energy: 1020.2335639283602
Energy: 1024.096950867547
Energy: 1021.5961845137053
Energy: 1024.0969508675455
Energy: 1021.5961845137039
Energy: 1024.0969508675455
Energy: 1021.5961845137053
Energy: 1021.0714484725588
Energy: 1024.0796125153747
Energy: 1021.0714484725573
Energy: 1024.0796125153747
Energy: 1021.0714484725573
Energy: 1024.0796125153747
Energy: 1022.7810488928213
Energy: 1018.6887109709127
Energy: 1022.7810488928201
Energy: 1018.6887109709127
Energy: 1022.7810488928201
Energy: 1018.6887109709127
Energy: 1022.175088171944
Energy: 1020.5749583452634
Energy: 1022.175088171944
Energy: 1020.5749583452623
Energy: 1022.1750881719425
Energy: 1020.5749583452623
Energy: 1024.1411860605729
Energy: 1021.5852115240041
Energy: 1024.1411860605729
Energy: 1021.585211524003
Energy: 1024.1411860605729
Energy: 1021.5852115240041
Energy: 1019.3202696272592
Energy: 1021.880584811925
Energy: 1019.3202696272592
Energy: 1021.8805848119238
Energy: 1019.320269627258
Energy: 1021.8805848119238
Energy: 1017.9081805468239
Energy: 1024.0990452607496
Energy: 1017.9081805468226
Energy: 1024.0990452607496
Energy: 1017.9081805468226
Energy: 1024.0990452607496

minimum gb energy = 1015.3550414793474 eV
minimum distance =  1.40389794190028 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 646.2330231498087
Energy: 644.7029513456458
Energy: 646.2330231498087
Energy: 644.7029513456448
Energy: 646.2330231498087
Energy: 644.7029513456448
Energy: 647.1938596020016
Energy: 651.759818351921
Energy: 647.1938596020004
Energy: 651.759818351921
Energy: 647.1938596020004
Energy: 651.7598183519223
Energy: 652.621605148564
Energy: 648.3995591938873
Energy: 652.6216051485662
Energy: 648.3995591938873
Energy: 652.6216051485651
Energy: 648.3995591938873
Energy: 646.360722959106
Energy: 644.7549157680356
Energy: 646.360722959106
Energy: 644.7549157680346
Energy: 646.3607229591039
Energy: 644.7549157680346
Energy: 651.7232754226579
Energy: 645.013582201429
Energy: 651.7232754226588
Energy: 645.013582201429
Energy: 651.7232754226579
Energy: 645.0135822014299
Energy: 646.5081106905296
Energy: 651.2202722695467
Energy: 646.5081106905296
Energy: 651.2202722695467
Energy: 646.5081106905296
Energy: 651.2202722695478
Energy: 650.2943662013074
Energy: 648.04365145562
Energy: 650.2943662013074
Energy: 648.0436514556187
Energy: 650.2943662013064
Energy: 648.0436514556187
Energy: 651.6961931798701
Energy: 645.5178873072913
Energy: 651.6961931798712
Energy: 645.5178873072913
Energy: 651.6961931798701
Energy: 645.5178873072913
Energy: 651.803849924284
Energy: 644.9152883867744
Energy: 651.803849924284
Energy: 644.9152883867733
Energy: 651.803849924284
Energy: 644.9152883867733
Energy: 646.2285775747605
Energy: 650.2851754174819
Energy: 646.2285775747605
Energy: 650.2851754174831
Energy: 646.2285775747596
Energy: 650.2851754174819
Energy: 648.4073423215896
Energy: 649.5948742461492
Energy: 648.4073423215896
Energy: 649.5948742461492
Energy: 648.4073423215885
Energy: 649.5948742461492
Energy: 650.6242104707255
Energy: 652.7183736661129
Energy: 650.6242104707255
Energy: 651.6008432206655
Energy: 650.6242104707244
Energy: 650.6916632559661
Energy: 651.9815790526485
Energy: 644.6001844180602
Energy: 651.9815790526474
Energy: 644.6001844180602
Energy: 651.9815790526463
Energy: 644.6001844180602
Energy: 652.0274241672471
Energy: 648.232917472542
Energy: 652.0274241672458
Energy: 648.232917472542
Energy: 652.0274241672471
Energy: 648.232917472542
Energy: 648.3582001219207
Energy: 651.2183777873404
Energy: 648.3582001219207
Energy: 651.2183777873404
Energy: 648.3582001219195
Energy: 651.2183777873404
Energy: 651.0312373964782
Energy: 652.4504625070301
Energy: 651.0312373964794
Energy: 651.4101022139923
Energy: 651.0312373964772
Energy: 650.4798627974465
Energy: 652.9826557563182
Energy: 644.3255915390445
Energy: 652.9826557563193
Energy: 644.3255915390445
Energy: 652.9826557563172
Energy: 644.3255915390445
Energy: 652.6672524855242
Energy: 648.7946344468368
Energy: 652.6672524855242
Energy: 648.7946344468368
Energy: 652.6672524855591
Energy: 648.7946344468378
Energy: 649.0917208504914
Energy: 652.3797191409178
Energy: 649.0917208504903
Energy: 652.3797191409178
Energy: 649.0917208504914
Energy: 652.3797191409167
Energy: 646.0639991946886
Energy: 649.9522678875428
Energy: 646.0639991946886
Energy: 649.3464742249081
Energy: 646.0639991946886
Energy: 649.3464742249081
Energy: 653.5843083435904
Energy: 651.6122336217229
Energy: 653.5843083435915
Energy: 651.612233621722
Energy: 653.5843083435925
Energy: 651.6122336217229
Energy: 651.6882625646581
Energy: 647.7319583786269
Energy: 651.6882625646581
Energy: 647.7319583786269
Energy: 651.6882625646581
Energy: 647.7319583786258
Energy: 647.3512780011414
Energy: 646.319578650183
Energy: 647.3512780011404
Energy: 646.319578650183
Energy: 647.3512780011404
Energy: 646.3195786501818
Energy: 652.3704054706575
Energy: 649.9457045159874
Energy: 652.3704054706575
Energy: 648.6476807047735
Energy: 652.3704054706585
Energy: 648.6476807047725
Energy: 653.0534751373588
Energy: 649.8258393973208
Energy: 653.0534751373588
Energy: 649.8258393973208
Energy: 653.0534751373608
Energy: 649.8258393973208
Energy: 650.3681686421577
Energy: 649.310505580245
Energy: 650.3681686421587
Energy: 649.310505580244
Energy: 650.3681686421577
Energy: 649.310505580244
Energy: 650.9698986316097
Energy: 648.1399392569407
Energy: 650.9698986316097
Energy: 648.1399392569407
Energy: 650.9698986316108
Energy: 648.1399392569399
Energy: 652.646310959615
Energy: 649.8157706005902
Energy: 652.6463109596139
Energy: 648.4843522235672
Energy: 652.646310959615
Energy: 648.4843522235672
Energy: 645.9118329938898
Energy: 650.6991716711051
Energy: 645.9118329938898
Energy: 650.6991716711051
Energy: 645.9118329938898
Energy: 650.6991716711051
Energy: 645.8418662974505
Energy: 650.9021810181121
Energy: 645.8418662974505
Energy: 650.9021810181121
Energy: 645.8418662974494
Energy: 650.9021810181121
Energy: 650.2181280619828
Energy: 651.003680226861
Energy: 650.2181280619817
Energy: 651.003680226861
Energy: 650.2181280619817
Energy: 651.003680226861
Energy: 652.6646566220313
Energy: 644.2844236458536
Energy: 652.6646566220313
Energy: 644.2844236458536
Energy: 652.6646566220302
Energy: 644.2844236458525
Energy: 650.9363634957606
Energy: 651.1653897414236
Energy: 650.9363634957595
Energy: 651.1653897414236
Energy: 650.9363634957595
Energy: 651.1653897414226

minimum gb energy = 644.2844236458525 eV
minimum distance =  1.38387887885335 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 916.2063942857135
Energy: 923.4427947699704
Energy: 916.2063942857163
Energy: 923.4427947699735
Energy: 916.2063942857147
Energy: 923.4427947699727
Energy: 916.8261374614281
Energy: 930.1107811039647
Energy: 916.8261374614326
Energy: 930.1107811039655
Energy: 916.8261374614295
Energy: 930.1107811039647
Energy: 927.5969320918747
Energy: 916.3122806179204
Energy: 927.5969320918726
Energy: 916.312280617921
Energy: 927.596932091871
Energy: 916.312280617921
Energy: 925.1667285192864
Energy: 923.2194256296027
Energy: 925.1667285192901
Energy: 923.219425629602
Energy: 925.1667285192885
Energy: 923.219425629602
Energy: 922.9127898245384
Energy: 924.750191672669
Energy: 922.9127898245436
Energy: 924.7501916726704
Energy: 922.9127898245399
Energy: 924.7501916726696
Energy: 925.6209550123779
Energy: 922.4886956588203
Energy: 925.6209550123823
Energy: 922.4886956588218
Energy: 925.6209550123801
Energy: 922.4886956588218
Energy: 928.4454717203926
Energy: 922.562619444043
Energy: 928.445471721434
Energy: 922.5626194440445
Energy: 928.4454717214348
Energy: 922.5626194440435
Energy: 919.6283716521275
Energy: 924.4949799165549
Energy: 919.628371652134
Energy: 924.4949799165549
Energy: 919.6283716521311
Energy: 924.4949799165536
Energy: 924.2894594006133
Energy: 923.621854701621
Energy: 924.2894594006154
Energy: 923.6218547016224
Energy: 924.2894594006148
Energy: 923.6218547016224
Energy: 915.5977363872796
Energy: 928.9932513342324
Energy: 915.5977363872862
Energy: 928.9932513342316
Energy: 915.597736387284
Energy: 928.9932513342332
Energy: 919.7838165363099
Energy: 920.3007498818973
Energy: 919.783816536316
Energy: 920.3007498818973
Energy: 919.7838165363146
Energy: 920.3007498818953
Energy: 924.9031487912424
Energy: 925.7802885275195
Energy: 924.9031487912463
Energy: 925.78028852752
Energy: 924.9031487912424
Energy: 925.7802885275186
Energy: 922.900463153583
Energy: 924.9833979721213
Energy: 922.9004631535881
Energy: 924.9833979721219
Energy: 922.9004631535851
Energy: 924.9833979721226
Energy: 926.0889817528665
Energy: 919.5209344154898
Energy: 926.0889817528696
Energy: 919.5209344154898
Energy: 926.0889817528682
Energy: 919.5209344154898
Energy: 925.9327484137957
Energy: 927.4716993194853
Energy: 925.9327484137987
Energy: 927.4716993194853
Energy: 925.9327484137971
Energy: 927.4716993194863
Energy: 922.1286132135075
Energy: 925.7151113717354
Energy: 922.1286132135134
Energy: 925.7151113717362
Energy: 922.1286132135111
Energy: 925.7151113717331
Energy: 924.376278848156
Energy: 923.2563771559641
Energy: 924.3762788481606
Energy: 923.2563771559655
Energy: 924.3762788481569
Energy: 923.2563771559663
Energy: 924.6700002868148
Energy: 925.9676868139426
Energy: 924.6700002868185
Energy: 925.9676868139426
Energy: 924.6700002868163
Energy: 925.9676868139433
Energy: 915.7979523180287
Energy: 927.2602113930977
Energy: 915.7979523180325
Energy: 927.2602113930977
Energy: 915.7979523180315
Energy: 927.2602113930969
Energy: 924.5308468913513
Energy: 926.8306646238052
Energy: 924.5308468913543
Energy: 926.8306646238052
Energy: 924.5308468913527
Energy: 926.8306646238052
Energy: 923.5912039299527
Energy: 916.195434388859
Energy: 923.5912039299586
Energy: 916.1954343888607
Energy: 923.5912039299557
Energy: 916.1954343888598
Energy: 930.2816318897845
Energy: 916.9624617387807
Energy: 930.2816318897867
Energy: 916.962461738782
Energy: 930.2816318897837
Energy: 916.962461738783
Energy: 926.2116140631854
Energy: 929.5891495789725
Energy: 926.2116140631869
Energy: 929.5891495789732
Energy: 926.2116140631854
Energy: 929.5891495789725
Energy: 922.7027583110266
Energy: 925.6251504325085
Energy: 922.7027583110311
Energy: 925.6251504325085
Energy: 922.7027583110273
Energy: 925.6251504325085
Energy: 925.1481767121589
Energy: 922.7030183471157
Energy: 925.1481767121626
Energy: 922.7030183471172
Energy: 925.1481767121611
Energy: 922.703018347118
Energy: 923.9047943805097
Energy: 926.7818820007456
Energy: 923.9047943805141
Energy: 926.7818820007471
Energy: 923.9047943805125
Energy: 926.7818820007456
Energy: 917.1387451820711
Energy: 927.603690129644
Energy: 917.1387451820772
Energy: 927.6036901296457
Energy: 917.1387451820748
Energy: 927.6036901296457
Energy: 916.204526608782
Energy: 924.3400937537845
Energy: 916.204526608786
Energy: 924.3400937537845
Energy: 916.2045266087844
Energy: 924.3400937537845
Energy: 924.6937442898217
Energy: 925.3048767112
Energy: 924.693744289826
Energy: 925.3048767112
Energy: 924.6937442898231
Energy: 925.3048767111992
Energy: 929.2536063770995
Energy: 915.5952408384844
Energy: 929.2536063771017
Energy: 915.5952408384859
Energy: 929.2536063771032
Energy: 915.5952408384844
Energy: 925.3189556724492
Energy: 925.1219615457304
Energy: 925.3189556724507
Energy: 925.121961545732
Energy: 925.3189556724501
Energy: 925.1219615457313
Energy: 923.9494958373897
Energy: 923.7729088292492
Energy: 923.9494958373949
Energy: 923.7729088292499
Energy: 923.9494958373934
Energy: 923.7729088292492
Energy: 924.9088121815471
Energy: 922.3620815092809
Energy: 924.908812128424
Energy: 922.3620815092822
Energy: 924.9088121637432
Energy: 922.3620815092817
Energy: 919.5355402120754
Energy: 926.9305246074128
Energy: 919.5355402120805
Energy: 926.9305246074128
Energy: 919.5355402120783
Energy: 926.9305246074123
Energy: 919.5585201136389
Energy: 926.9228881361822
Energy: 919.5585201136448
Energy: 926.9228881361814
Energy: 919.558520113642
Energy: 926.9228881361807
Energy: 925.7798848229093
Energy: 922.3657381767889
Energy: 925.7798848229113
Energy: 922.3657381767895
Energy: 925.7798848229107
Energy: 922.3657381767889
Energy: 923.9606988963179
Energy: 923.8343031119693
Energy: 923.9606988963247
Energy: 923.8343031119703
Energy: 923.9606988963233
Energy: 923.8343031119703
Energy: 926.1503558733976
Energy: 925.1659027824478
Energy: 926.1503558733992
Energy: 925.1659027824478
Energy: 926.1503558733976
Energy: 925.1659027824478
Energy: 929.3358823635219
Energy: 915.5867247319259
Energy: 929.3358823635236
Energy: 915.5867247319259
Energy: 929.3358823635227
Energy: 915.5867247319259
Energy: 924.6884325833407
Energy: 925.2471236127396
Energy: 924.6884325833457
Energy: 925.2471236127396
Energy: 924.6884325833436
Energy: 925.2471236127404
Energy: 916.211561507845
Energy: 924.2957268946528
Energy: 916.2115615078492
Energy: 924.295726894655
Energy: 916.211561507847
Energy: 924.2957268946541
Energy: 917.1271186962607
Energy: 927.5777280252429
Energy: 917.1271186962658
Energy: 927.5777280252438
Energy: 917.1271186962643
Energy: 927.5777280252429
Energy: 923.8842575489479
Energy: 926.7422186947823
Energy: 923.8842575489531
Energy: 926.7422186947823
Energy: 923.8842575489523
Energy: 926.7422186947814
Energy: 925.2514764667204
Energy: 922.6985821266347
Energy: 925.2514764667234
Energy: 922.6985821266363
Energy: 925.2514764667219
Energy: 922.6985821266354
Energy: 922.7144254652177
Energy: 925.718555363956
Energy: 922.7144254652228
Energy: 925.7185553639553
Energy: 922.7144254652213
Energy: 925.7185553639553
Energy: 926.276945657508
Energy: 929.6012003850467
Energy: 926.2769456575109
Energy: 929.6012003850473
Energy: 926.2769456575109
Energy: 929.6012003850482
Energy: 930.2609823494223
Energy: 916.9640838191668
Energy: 930.2609823494253
Energy: 916.9640838191676
Energy: 930.2609823494246
Energy: 916.9640838191684

minimum gb energy = 915.5867247319259 eV
minimum distance =  1.6054179638826 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 681.9723371351812
Energy: 699.1156503791817
Energy: 681.9723371351812
Energy: 699.1156503791805
Energy: 681.9723371351821
Energy: 699.1156503791817
Energy: 685.8143169970152
Energy: 699.0216980804992
Energy: 685.8143169970143
Energy: 699.0216980804996
Energy: 685.8143169970152
Energy: 699.0216980804996
Energy: 705.4380127682989
Energy: 683.6146378635218
Energy: 705.4380127682984
Energy: 683.6146378635218
Energy: 705.4380127682994
Energy: 683.6146378635224
Energy: 685.8249308698296
Energy: 699.0058281024299
Energy: 685.8249308698286
Energy: 699.0058281024302
Energy: 685.8249308698296
Energy: 699.0058281024299
Energy: 681.9723371351806
Energy: 699.1156503791789
Energy: 681.9723371351802
Energy: 699.115650379178
Energy: 681.9723371351815
Energy: 699.1156503791793
Energy: 685.8143169970143
Energy: 699.0216980804956
Energy: 685.8143169970139
Energy: 699.0216980804967
Energy: 685.8143169970152
Energy: 699.0216980804962
Energy: 699.751096285467
Energy: 683.614637863521
Energy: 699.751096285467
Energy: 683.614637863521
Energy: 698.0423047337582
Energy: 683.6146378635218

minimum gb energy = 681.9723371351802 eV
minimum distance =  1.57439246973448 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1010.0892365088688
Energy: 1012.9349669464748
Energy: 1010.4286124040715
Energy: 1012.9349669464755
Energy: 1010.0892365088721
Energy: 1012.9349669464748
Energy: 1012.842153592032
Energy: 1017.8857578240579
Energy: 1012.842153592038
Energy: 1017.8857578240579
Energy: 1012.8421535920339
Energy: 1017.8857578240587
Energy: 1019.7610918863816
Energy: 1011.158496398344
Energy: 1019.6924688787027
Energy: 1011.1584963983432
Energy: 1019.7610918863851
Energy: 1011.1584963983432
Energy: 1013.3361992896967
Energy: 1019.3982975679274
Energy: 1013.336199289702
Energy: 1019.0091823856619
Energy: 1013.3361992896994
Energy: 1019.0091823856613
Energy: 1013.0707890252589
Energy: 1018.3869175468086
Energy: 1013.0707890252656
Energy: 1018.3869175468074
Energy: 1013.0707890252622
Energy: 1018.3869175468079
Energy: 1013.9195240492792
Energy: 1014.2118901314745
Energy: 1013.9195240492851
Energy: 1014.2118901314745
Energy: 1013.9195240492811
Energy: 1014.211890131474
Energy: 1017.7729742530653
Energy: 1010.7639489658811
Energy: 1017.7723183082536
Energy: 1010.7639489658811
Energy: 1017.7729742530637
Energy: 1010.7639489658811
Energy: 1014.7250878355003
Energy: 1019.1734599760429
Energy: 1014.7250878355062
Energy: 1019.1734599760421
Energy: 1014.725087835503
Energy: 1018.466449610957
Energy: 1018.3954791707023
Energy: 1018.4970276688632
Energy: 1018.3954791707076
Energy: 1018.4970276688653
Energy: 1018.3954791707056
Energy: 1018.4970276688653
Energy: 1014.9295727510747
Energy: 1014.6062959690859
Energy: 1014.9295727510809
Energy: 1014.6062959690871
Energy: 1014.9295727510765
Energy: 1014.6062959690871
Energy: 1015.0579045461352
Energy: 1011.5678255043279
Energy: 1015.057904546142
Energy: 1011.5678255043272
Energy: 1015.0579045461378
Energy: 1011.5678255043279
Energy: 1013.854213221588
Energy: 1018.6707614726778
Energy: 1013.8542132215935
Energy: 1018.6696294030176
Energy: 1013.8542132215899
Energy: 1018.6707614726786
Energy: 1019.0644885470846
Energy: 1018.130578981508
Energy: 1019.0644885470872
Energy: 1018.1305789815073
Energy: 1019.0644885465223
Energy: 1018.1305789815073
Energy: 1017.220685700346
Energy: 1015.3468833379299
Energy: 1017.2206857003526
Energy: 1015.3468833379291
Energy: 1017.22068570035
Energy: 1015.3468833379299
Energy: 1015.5151171999439
Energy: 1014.5805504336867
Energy: 1015.515117199952
Energy: 1014.5805504336874
Energy: 1015.5151171999472
Energy: 1014.5805504336867
Energy: 1010.2604758253865
Energy: 1017.0548209366925
Energy: 1010.2604758253939
Energy: 1017.0548209366964
Energy: 1010.2604758253913
Energy: 1017.0548209366959
Energy: 1019.1322374545684
Energy: 1018.0187868684503
Energy: 1019.1322374545713
Energy: 1018.0187868684523
Energy: 1019.1322374545733
Energy: 1018.0187868684518
Energy: 1017.3987746511963
Energy: 1016.6565587085465
Energy: 1017.3987746512031
Energy: 1016.6565587085471
Energy: 1017.3987746511998
Energy: 1016.6565587085471
Energy: 1016.6911004270061
Energy: 1019.0466037033196
Energy: 1016.6911004270127
Energy: 1019.0466037033164
Energy: 1016.6911004270114
Energy: 1019.0466037033169
Energy: 1013.0150243791888
Energy: 1018.6275662907075
Energy: 1013.0150243791949
Energy: 1019.6073237568042
Energy: 1013.0150243791923
Energy: 1018.9355791387835
Energy: 1018.5672921220353
Energy: 1015.1792945336855
Energy: 1018.567292122042
Energy: 1015.1792945336862
Energy: 1018.5672921220385
Energy: 1015.1792945336847
Energy: 1018.2139728066436
Energy: 1014.61200219522
Energy: 1018.2139728066496
Energy: 1014.6120021952195
Energy: 1018.2139728066463
Energy: 1014.6120021952195
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Energy: 1019.7223958035096
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Energy: 1017.6807869892817
Energy: 1019.7255493168472
Energy: 1017.6807869892891
Energy: 1019.7255493168404
Energy: 1017.6807869892859
Energy: 1019.7255493168398
Energy: 1018.4109935743012
Energy: 1015.2508924069022
Energy: 1018.4109935743096
Energy: 1015.2508924069022
Energy: 1018.410993574305
Energy: 1015.2508924069022
Energy: 1014.4054955771073
Energy: 1015.2124145752291
Energy: 1014.3978195026524
Energy: 1015.2124145752297
Energy: 1014.40549557711
Energy: 1015.2124145752304
Energy: 1016.7175454970692
Energy: 1019.0867931940367
Energy: 1016.7175454970738
Energy: 1019.0867931940292
Energy: 1016.7175454970711
Energy: 1019.0867931940292
Energy: 1017.6310444696156
Energy: 1020.8232667495422
Energy: 1017.631044469621
Energy: 1020.8232667495448
Energy: 1017.6310444696176
Energy: 1020.8232667495475
Energy: 1018.386935747001
Energy: 1018.3937921959508
Energy: 1018.3869357470041
Energy: 1018.3937921959542
Energy: 1018.386935747001
Energy: 1018.3937921959542
Energy: 1009.768546274251
Energy: 1014.0746059077926
Energy: 1010.2989923203954
Energy: 1014.0746059077932
Energy: 1009.7685462742563
Energy: 1014.0746059077926
Energy: 1015.3809711007573
Energy: 1014.3324272299614
Energy: 1015.9851316400601
Energy: 1014.3324272299614
Energy: 1015.3809711007606
Energy: 1014.332427229962
Energy: 1017.5713240994094
Energy: 1018.6734076357085
Energy: 1017.5713240994162
Energy: 1018.6734076357085
Energy: 1017.5713240994112
Energy: 1018.6734076357105
Energy: 1018.3381425933915
Energy: 1018.6736039507971
Energy: 1018.3381425934008
Energy: 1018.6736039507971
Energy: 1018.3381425933982
Energy: 1018.6736039507978
Energy: 1010.5581820115312
Energy: 1018.6843995888422
Energy: 1010.5581820115374
Energy: 1018.6843995888381
Energy: 1010.5581820115348
Energy: 1018.6843995888396
Energy: 1017.38230881221
Energy: 1014.6091792425069
Energy: 1017.3823088122147
Energy: 1014.6091792425069
Energy: 1017.3823088122161
Energy: 1014.6091792425069
Energy: 1017.602651118451
Energy: 1015.0158327036374
Energy: 1017.6108287629474
Energy: 1015.0158327036374
Energy: 1017.602651118455
Energy: 1015.0158327036354
Energy: 1017.9399432958954
Energy: 1018.9377630078554
Energy: 1017.9399432959035
Energy: 1018.9377630078567
Energy: 1017.9399432958994
Energy: 1018.9377630078582
Energy: 1010.8946153527439
Energy: 1019.8986877167862
Energy: 1010.8946153527507
Energy: 1019.8986877167862
Energy: 1010.8946153527472
Energy: 1019.8986877167868
Energy: 1020.1342129135415
Energy: 1013.8473852916255
Energy: 1020.1342129135469
Energy: 1013.8473852916263
Energy: 1020.1342129135462
Energy: 1013.8473852916263
Energy: 1019.315446744596
Energy: 1014.8200910619728
Energy: 1019.3154467446013
Energy: 1014.8200910619734
Energy: 1019.3154467445974
Energy: 1014.820091061974
Energy: 1012.9729930186783
Energy: 1019.0843210388088
Energy: 1012.9729930186857
Energy: 1019.0843210388108
Energy: 1012.9729930186829
Energy: 1019.0843210388108
Energy: 1012.6363310827633
Energy: 1019.4305445320822
Energy: 1012.6363310827694
Energy: 1019.4305445320834
Energy: 1012.6363310827675
Energy: 1019.4305445320842
Energy: 1019.8425296707403
Energy: 1016.641927175795
Energy: 1019.8425296707424
Energy: 1016.6419271757965
Energy: 1019.8425296707389
Energy: 1016.6419271757958
Energy: 1020.08991396181
Energy: 1018.0681399638598
Energy: 1020.0899139618168
Energy: 1018.0681399638632
Energy: 1020.0899139618148
Energy: 1018.0681399638624
Energy: 1010.322258401382
Energy: 1013.033200055369
Energy: 1010.3222584013887
Energy: 1013.0332000553695
Energy: 1010.322258401386
Energy: 1013.033200055369
Energy: 1014.2141185851626
Energy: 1018.508903297788
Energy: 1014.2141185851699
Energy: 1018.5089032977914
Energy: 1014.2141185851667
Energy: 1018.5089032977914
Energy: 1019.6108062210245
Energy: 1015.7544195870206
Energy: 1019.6108061809075
Energy: 1015.7544195870213
Energy: 1019.6108062210252
Energy: 1015.7544195870206
Energy: 1019.9748101119727
Energy: 1015.9447237520442
Energy: 1019.9748101119775
Energy: 1015.944723752065
Energy: 1019.9748101119782
Energy: 1015.9447237520584
Energy: 1013.4018636150465
Energy: 1017.6573913084222
Energy: 1013.4018636150538
Energy: 1017.6573913084222
Energy: 1013.4018636150512
Energy: 1017.6573913084217
Energy: 1015.2332347136456
Energy: 1015.0335372179643
Energy: 1015.2332347136517
Energy: 1015.033537217965
Energy: 1015.2332347136484
Energy: 1015.033537217965
Energy: 1015.2677773258008
Energy: 1014.880195240242
Energy: 1015.2677773258075
Energy: 1014.880195240242
Energy: 1015.2677773258036
Energy: 1014.880195240242

minimum gb energy = 1009.768546274251 eV
minimum distance =  1.35125210206042 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 737.2272310990372
Energy: 737.0568574384296
Energy: 737.2272310990365
Energy: 737.0568574384296
Energy: 737.2272310990355
Energy: 737.0568574384296
Energy: 741.8937162810591
Energy: 738.3116183273272
Energy: 741.8937162810581
Energy: 738.3116183273265
Energy: 741.8937162810581
Energy: 738.3116183273265
Energy: 743.6590513744248
Energy: 743.2257918626191
Energy: 743.659051374424
Energy: 743.2257918626191
Energy: 743.659051374424
Energy: 743.2257918626191
Energy: 735.3503681605956
Energy: 739.3692590225809
Energy: 735.3503681605947
Energy: 739.3692590225802
Energy: 735.3503681605937
Energy: 739.3692590225809
Energy: 737.9127684123235
Energy: 739.4781546243086
Energy: 737.9127684123216
Energy: 739.4781546243086
Energy: 737.9127684123216
Energy: 739.4781546243086
Energy: 737.8149561260237
Energy: 738.9828171326766
Energy: 737.8149561260227
Energy: 738.9828171326766
Energy: 737.814956126021
Energy: 738.9828171326758
Energy: 744.4101362525906
Energy: 740.8715085300172
Energy: 744.4101362525918
Energy: 740.8715085300163
Energy: 744.4101362525897
Energy: 740.8715085300163
Energy: 740.8912991163079
Energy: 738.9878983100455
Energy: 740.8912991163071
Energy: 738.9878983100455
Energy: 740.8912991163061
Energy: 738.9878983100455
Energy: 739.8799815650151
Energy: 739.096858123478
Energy: 739.8799815650142
Energy: 739.096858123478
Energy: 739.8799815650132
Energy: 739.096858123478
Energy: 745.8596552067892
Energy: 730.1252164460524
Energy: 745.8596552067892
Energy: 730.1252164460524
Energy: 745.8596552067883
Energy: 730.1252164460514
Energy: 740.0950534107811
Energy: 744.40151106258
Energy: 740.0950534107811
Energy: 744.40151106258
Energy: 740.0950534107794
Energy: 744.40151106258
Energy: 738.6816026735252
Energy: 738.5555487809817
Energy: 738.6816026735244
Energy: 738.5555487809806
Energy: 738.6816026735233
Energy: 738.5555487809806
Energy: 739.7896308404689
Energy: 737.8789128505813
Energy: 739.789630840468
Energy: 737.8789128505813
Energy: 739.789630840468
Energy: 737.8789128505813
Energy: 740.7395137327403
Energy: 741.7399353809908
Energy: 740.7395137327393
Energy: 741.7399353809908
Energy: 740.7395137327393
Energy: 741.7399353809908
Energy: 742.5212763866763
Energy: 747.2485785067113
Energy: 742.5212763866746
Energy: 747.2485785067113
Energy: 742.5212763866746
Energy: 747.2485785067113
Energy: 737.7056669108534
Energy: 740.2164105158889
Energy: 737.7056669108524
Energy: 740.2164105158879
Energy: 737.7056669108516
Energy: 740.2164105158889
Energy: 738.9346836725343
Energy: 738.4715824208489
Energy: 738.9346836725334
Energy: 738.4715824208481
Energy: 738.9346836725334
Energy: 738.4715824208489
Energy: 746.6727115769969
Energy: 734.7459384931842
Energy: 746.672711576996
Energy: 734.7459384931832
Energy: 746.672711576996
Energy: 734.7459384931832
Energy: 742.1255145252608
Energy: 744.2669636478876
Energy: 742.1255145252608
Energy: 744.2669636478869
Energy: 742.1255145252618
Energy: 744.2669636478869
Energy: 738.7562688913791
Energy: 742.9002293104868
Energy: 738.7562688913764
Energy: 742.9002293104868
Energy: 738.7562688913772
Energy: 742.9002293104877
Energy: 739.0991858725039
Energy: 738.6520507195714
Energy: 739.099185872503
Energy: 738.6520507195714
Energy: 739.0991858725021
Energy: 738.6520507195714
Energy: 738.0363013990128
Energy: 743.5503529528609
Energy: 738.0363013990128
Energy: 743.5503529528601
Energy: 738.0363013990118
Energy: 743.5503529528609
Energy: 737.9944032292275
Energy: 742.8197531049108
Energy: 737.9944032292266
Energy: 742.8197531049108
Energy: 737.9944032292257
Energy: 742.8197531049108
Energy: 739.1148707025828
Energy: 738.6867716206739
Energy: 739.1148707025828
Energy: 738.686771620673
Energy: 739.1148707025819
Energy: 738.6867716206739
Energy: 738.6733068389736
Energy: 742.2305411086629
Energy: 738.6733068389726
Energy: 742.2305411086611
Energy: 738.6733068389717
Energy: 742.2305411086629
Energy: 742.9901873911006
Energy: 744.4003920574256
Energy: 742.9901873910997
Energy: 744.4003920560413
Energy: 742.9901873910997
Energy: 744.4003920560413
Energy: 747.1323866201681
Energy: 735.573088970793
Energy: 747.132386620167
Energy: 735.573088970793
Energy: 747.1323866201662
Energy: 735.573088970793
Energy: 738.4890045330246
Energy: 738.5302501340954
Energy: 738.4890045330246
Energy: 738.5302501340954
Energy: 738.4890045330237
Energy: 738.5302501340954
Energy: 737.7943372114473
Energy: 740.318530574715
Energy: 737.7943372114463
Energy: 740.3185305747141
Energy: 737.7943372114463
Energy: 740.318530574715
Energy: 742.2260428934286
Energy: 746.3965044776573
Energy: 742.2260428934276
Energy: 746.3965044776573
Energy: 742.2260428934268
Energy: 746.3965044776573
Energy: 741.5582358816496
Energy: 742.4980792812571
Energy: 741.5582358816475
Energy: 742.4980792812571
Energy: 741.5582358816467
Energy: 742.4980792812571
Energy: 739.7927137620991
Energy: 737.6808843065481
Energy: 739.7927137620972
Energy: 737.680884306549
Energy: 739.7927137620972
Energy: 737.6808843065481
Energy: 738.6110189749523
Energy: 739.8222148879803
Energy: 738.6110189749505
Energy: 739.8222148879793
Energy: 738.6110189749505
Energy: 739.8222148879803
Energy: 741.4657738952393
Energy: 744.4501926757636
Energy: 741.4657738952393
Energy: 744.4501926757636
Energy: 741.4657738952383
Energy: 744.4501926757645
Energy: 746.5561518969289
Energy: 730.4859758805269
Energy: 746.5561518969298
Energy: 730.4859758805259
Energy: 746.5561518969298
Energy: 730.4859758805259
Energy: 740.3735948568195
Energy: 738.9422535307722
Energy: 740.3735948568187
Energy: 738.9422535307722
Energy: 740.3735948568187
Energy: 738.9422535307713
Energy: 741.1163134561018
Energy: 738.9864454578532
Energy: 741.1163134561008
Energy: 738.9864454578542
Energy: 741.1163134561008
Energy: 738.9864454578542
Energy: 744.2237046797537
Energy: 741.6360802177949
Energy: 744.2237046797527
Energy: 741.6360802177949
Energy: 744.2237046797527
Energy: 741.6360802177938

minimum gb energy = 730.1252164460514 eV
minimum distance =  1.3020946706497 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 596.6994319649839
Energy: 604.3221430509757
Energy: 596.6994319649839
Energy: 604.3221430509747
Energy: 596.6994319649839
Energy: 604.3221430509747
Energy: 603.912037340698
Energy: 603.210488564241
Energy: 603.912037340697
Energy: 603.210488564241
Energy: 603.912037340697
Energy: 603.2104885642422
Energy: 608.0566651503088
Energy: 597.5088285239875
Energy: 608.0566651503088
Energy: 597.5088285239875
Energy: 608.0566651503078
Energy: 597.5088285239875
Energy: 605.1125294205613
Energy: 605.9148442418118
Energy: 605.1125294205613
Energy: 605.9148442418108
Energy: 605.1125294205613
Energy: 605.9148442418108
Energy: 602.4842212651174
Energy: 606.2595731324694
Energy: 602.4842212651174
Energy: 606.2595731324694
Energy: 602.4842212651162
Energy: 606.2595731324707
Energy: 605.140218024833
Energy: 600.3242198109042
Energy: 605.140218024833
Energy: 600.3242198109042
Energy: 605.140218024833
Energy: 600.3242198109042
Energy: 604.1518483768197
Energy: 598.0565608533016
Energy: 604.1518483768208
Energy: 598.0565608533004
Energy: 604.1518483768197
Energy: 598.0565608533004
Energy: 599.6039634467553
Energy: 606.0595304358484
Energy: 599.6039634467553
Energy: 606.0595304358484
Energy: 599.6039634467553
Energy: 606.0595304358484
Energy: 604.050850131751
Energy: 606.0309535834335
Energy: 604.050850131751
Energy: 606.0309535834335
Energy: 604.0508501317522
Energy: 606.0309535834335
Energy: 606.7964689200206
Energy: 601.1045937482446
Energy: 606.7964689200196
Energy: 601.1045937482446
Energy: 606.7964689200184
Energy: 601.1045937482435
Energy: 604.0017476279675
Energy: 605.2971722546444
Energy: 604.0017476279664
Energy: 605.2971722546455
Energy: 604.0017476279675
Energy: 605.2971722546455
Energy: 599.0746098317087
Energy: 606.173479091933
Energy: 599.0746098317076
Energy: 606.1734790919343
Energy: 599.0746098317076
Energy: 606.1734790919343
Energy: 603.4509434777639
Energy: 600.300877195015
Energy: 603.4509434777627
Energy: 600.3008771950161
Energy: 603.4509434777627
Energy: 600.300877195015
Energy: 606.9942659512667
Energy: 602.2387742092474
Energy: 606.9942659512667
Energy: 602.2387742092474
Energy: 606.9942659512656
Energy: 602.2387742092474
Energy: 605.0724831910748
Energy: 605.9880310478723
Energy: 605.0724831910735
Energy: 605.9880310478723
Energy: 605.0724831910735
Energy: 605.9880310478723
Energy: 602.651088932072
Energy: 607.1577475158838
Energy: 602.651088932072
Energy: 607.157747515885
Energy: 602.651088932072
Energy: 607.157747515885
Energy: 602.276413274411
Energy: 603.4613971841384
Energy: 602.276413274411
Energy: 603.4613971841384
Energy: 602.276413274411
Energy: 603.4613971841374
Energy: 600.4314686379545
Energy: 602.4905347827519
Energy: 600.4314686379545
Energy: 602.4905347827519
Energy: 600.4314686379545
Energy: 602.4905347827519
Energy: 600.8544963601369
Energy: 601.4288862911359
Energy: 600.8544963601369
Energy: 601.4288862911347
Energy: 600.8544963601369
Energy: 601.4288862911347
Energy: 602.588580870728
Energy: 603.2583275856969
Energy: 602.5885808707269
Energy: 603.2583275856969
Energy: 602.588580870728
Energy: 603.2583275856969
Energy: 602.5795427583464
Energy: 606.729442491267
Energy: 602.5795427583464
Energy: 606.729442491267
Energy: 602.5795427583452
Energy: 606.729442491267
Energy: 601.6081262707941
Energy: 607.7309068432057
Energy: 601.6081262707941
Energy: 607.7309068432057
Energy: 601.6081262707941
Energy: 607.7309068432047
Energy: 606.8897691644133
Energy: 601.4203560364643
Energy: 606.8897691644146
Energy: 601.4203560364634
Energy: 606.8897691644133
Energy: 601.4203560364634
Energy: 603.0690091540879
Energy: 600.4220701746459
Energy: 603.0690091540879
Energy: 600.4220701746459
Energy: 603.0690091540879
Energy: 600.4220701746459
Energy: 599.2794071816782
Energy: 605.228236199047
Energy: 599.2794071816782
Energy: 605.2282361990459
Energy: 599.2794071816793
Energy: 605.2282361990459
Energy: 601.5621096137754
Energy: 605.6402889643072
Energy: 601.5621096137754
Energy: 605.6402889643059
Energy: 601.5621096137745
Energy: 605.6402889643059
Energy: 605.8110365522177
Energy: 604.9662269514628
Energy: 605.8110365522177
Energy: 604.9662269514628
Energy: 605.8110365522177
Energy: 604.9662269514628
Energy: 603.3669565396126
Energy: 606.0965858804425
Energy: 603.3669565396139
Energy: 606.0965858804425
Energy: 603.3669565396116
Energy: 606.0965858804412
Energy: 600.0935299505371
Energy: 606.3564751677152
Energy: 600.0935299505371
Energy: 606.3564751677152
Energy: 600.093529950536
Energy: 606.3564751677152
Energy: 599.6221465061767
Energy: 602.5815190257479
Energy: 599.6221465061767
Energy: 602.5815190257479
Energy: 599.6221465061767
Energy: 602.5815190257479
Energy: 605.1078594548264
Energy: 600.2543141721778
Energy: 605.1078594548276
Energy: 600.2543141721778
Energy: 605.1078594548276
Energy: 600.2543141721778

minimum gb energy = 596.6994319649839 eV
minimum distance =  1.36744479921004 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 689.4543111630833
Energy: 696.897876913732
Energy: 690.1300880864987
Energy: 696.897876913732
Energy: 689.4543111630833
Energy: 696.897876913732
Energy: 696.3375646171394
Energy: 697.3671653775015
Energy: 696.3375646171394
Energy: 697.3671653775028
Energy: 696.3375646171378
Energy: 697.3671653775015
Energy: 701.8037323644871
Energy: 691.318620138834
Energy: 701.7208707302245
Energy: 691.318620138834
Energy: 701.8037323644858
Energy: 691.3186201388326
Energy: 693.2109159182634
Energy: 696.653096738157
Energy: 693.2109159182634
Energy: 696.6530967381556
Energy: 693.2109159182634
Energy: 696.653096738157
Energy: 700.2451260901823
Energy: 698.2477284560894
Energy: 700.2451260901823
Energy: 698.2477284560906
Energy: 700.2451260901807
Energy: 698.2477284560894
Energy: 701.6194664359087
Energy: 697.9336088858179
Energy: 701.6194664359074
Energy: 697.9336088858132
Energy: 701.6194664359102
Energy: 697.9336088858148
Energy: 699.5341624483544
Energy: 693.3666939314649
Energy: 699.5341624483544
Energy: 693.3666939314649
Energy: 699.534162448353
Energy: 693.3666939314649
Energy: 690.5338219510986
Energy: 696.7847363848853
Energy: 690.5338219510971
Energy: 696.7847363848853
Energy: 690.5338219510971
Energy: 696.7847363848838
Energy: 701.16460548846
Energy: 696.7563563662223
Energy: 701.1646054884615
Energy: 696.7563563662223
Energy: 701.1646054884585
Energy: 696.7563563662223
Energy: 704.413208684703
Energy: 697.8664179090688
Energy: 704.4065399715727
Energy: 697.8664179090704
Energy: 704.413208684703
Energy: 697.8664179090688
Energy: 701.4066167599101
Energy: 697.8366637525867
Energy: 701.4066167599101
Energy: 697.8366637525867
Energy: 701.4066167599073
Energy: 697.8366637525867
Energy: 700.4670831066927
Energy: 700.2155655251412
Energy: 700.4670831066941
Energy: 700.2155655251427
Energy: 700.4670831066927
Energy: 700.2155655251427
Energy: 704.5668185754197
Energy: 697.751336422623
Energy: 704.5668185754181
Energy: 697.751336422623
Energy: 704.5668185754167
Energy: 697.751336422623
Energy: 699.1132436083515
Energy: 699.3104162505488
Energy: 701.1520298178144
Energy: 699.3104162505488
Energy: 699.1132436083515
Energy: 699.3104162505504
Energy: 700.1675494563752
Energy: 697.0983170959988
Energy: 700.4002435180602
Energy: 697.0983170959988
Energy: 700.1675494563752
Energy: 697.0983170959988
Energy: 698.8130235434029
Energy: 696.8008345611439
Energy: 698.8130235434058
Energy: 696.8008345611439
Energy: 698.8130235434058
Energy: 696.8008345611439
Energy: 704.7205234700427
Energy: 695.550538357886
Energy: 704.6915010939339
Energy: 695.550538357886
Energy: 704.7205234700427
Energy: 695.550538357886
Energy: 701.272773782074
Energy: 704.4197195299687
Energy: 701.2727737820755
Energy: 704.4197195299732
Energy: 701.272773782074
Energy: 704.4197195299716
Energy: 704.8810216679697
Energy: 695.5259121006789
Energy: 704.8810216679725
Energy: 695.5259121006789
Energy: 704.8810216679739
Energy: 695.5259121006774
Energy: 699.7410538242284
Energy: 696.7239089407061
Energy: 699.7410538242284
Energy: 696.7239089407061
Energy: 699.7410538242256
Energy: 696.7239089407061
Energy: 700.334702575361
Energy: 697.3276190227197
Energy: 700.334702575361
Energy: 697.3276190227183
Energy: 700.3347025753625
Energy: 697.3276190227183
Energy: 700.3365157874956
Energy: 699.2244267584764
Energy: 700.3365157874972
Energy: 699.2244267584794
Energy: 700.3365157874956
Energy: 699.2244267584794
Energy: 703.9087703437089
Energy: 697.672099325638
Energy: 703.9501113685674
Energy: 697.672099325638
Energy: 703.9087703437073
Energy: 697.672099325638
Energy: 700.6579228076148
Energy: 698.8189553024953
Energy: 700.6379049172533
Energy: 698.8189553024953
Energy: 700.6579228076176
Energy: 698.8189553024953

minimum gb energy = 689.4543111630833 eV
minimum distance =  1.35900080547064 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 657.506077935847
Energy: 654.8564026920317
Energy: 657.506077935847
Energy: 654.8564026920317
Energy: 657.5060779358447
Energy: 654.8564026920317
Energy: 659.506483852884
Energy: 655.2519300730212
Energy: 659.506483852884
Energy: 655.2519300730212
Energy: 659.5064838528818
Energy: 655.2519300730212
Energy: 662.5384129503917
Energy: 650.42810291482
Energy: 662.5384129503917
Energy: 650.42810291482
Energy: 662.5384129503917
Energy: 650.42810291482
Energy: 662.5697959940974
Energy: 654.643563139492
Energy: 662.5697959940952
Energy: 654.643563139492
Energy: 662.5697959940974
Energy: 654.643563139492
Energy: 662.3365325346296
Energy: 654.7560111306334
Energy: 662.3365325346296
Energy: 654.7560111306334
Energy: 662.3365325346296
Energy: 654.7560111306334
Energy: 661.3238180262356
Energy: 657.6874953718693
Energy: 661.3238180262356
Energy: 657.6874953718693
Energy: 661.3238180262356
Energy: 657.6874953718693
Energy: 660.1527798207965
Energy: 660.052342733513
Energy: 660.1527798207965
Energy: 660.052342733513
Energy: 660.1527798207965
Energy: 660.052342733513
Energy: 662.1373140570714
Energy: 655.9156393336591
Energy: 662.1373140570714
Energy: 655.9156393336591
Energy: 662.1373140570694
Energy: 655.9156393336591
Energy: 660.2660692671105
Energy: 655.2736786182994
Energy: 660.2660692671105
Energy: 655.2736786182994
Energy: 660.2660692671105
Energy: 655.2736786182994
Energy: 655.5775816017597
Energy: 658.8806096267241
Energy: 655.5775816017597
Energy: 658.8806096267241
Energy: 655.5775816017597
Energy: 658.8806096267241
Energy: 656.5946661878628
Energy: 660.6001237652885
Energy: 656.5946661878628
Energy: 660.6001237652885
Energy: 656.5946661878628
Energy: 660.6001237652885
Energy: 662.4902019489584
Energy: 654.1151778337867
Energy: 662.4902019489584
Energy: 654.1151778337867
Energy: 662.4902019489564
Energy: 654.1151778337867
Energy: 661.8250078822978
Energy: 656.4358394427904
Energy: 661.8250078822978
Energy: 656.4358394427904
Energy: 661.8250078822978
Energy: 656.4358394427904
Energy: 656.5212278875307
Energy: 661.5193507066268
Energy: 656.5212278875285
Energy: 661.5193507066268
Energy: 656.5212278875285
Energy: 661.5193507066268
Energy: 662.7222791273989
Energy: 662.7133755720563
Energy: 662.7222791274011
Energy: 662.7133755720563
Energy: 662.7222791273989
Energy: 662.7133755720563
Energy: 661.5565770031666
Energy: 657.3142096704936
Energy: 661.5565770031666
Energy: 657.3142096704936
Energy: 661.5565770031666
Energy: 657.3142096704936
Energy: 656.401938533406
Energy: 662.2941503574873
Energy: 656.401938533406
Energy: 662.2941503574873
Energy: 656.401938533406
Energy: 662.2941503574895

minimum gb energy = 650.42810291482 eV
minimum distance =  1.44151245995707 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 847.965378481766
Energy: 852.3802327783181
Energy: 848.3826395710302
Energy: 852.3802327783173
Energy: 847.9653784817677
Energy: 852.3802327783181
Energy: 852.8930495163326
Energy: 853.1748644394949
Energy: 853.7125739778584
Energy: 853.1748644394934
Energy: 852.8930495163326
Energy: 853.1748644394925
Energy: 852.5942990684171
Energy: 854.1870132873665
Energy: 852.6687918554975
Energy: 854.1870132873665
Energy: 852.5942990684186
Energy: 854.1870132873665
Energy: 851.7791390317356
Energy: 854.9861609037547
Energy: 851.7711540922284
Energy: 854.9861609037538
Energy: 851.7791390317389
Energy: 854.986160903753
Energy: 854.9909605720773
Energy: 852.0314697998622
Energy: 854.9909605720758
Energy: 852.031469799863
Energy: 854.9909605720766
Energy: 852.031469799863
Energy: 856.6446844125255
Energy: 853.6902889531732
Energy: 856.6257897536199
Energy: 853.6902889531748
Energy: 856.6446844144729
Energy: 853.690288953174
Energy: 853.8189373246839
Energy: 855.9549933109064
Energy: 853.8189373246894
Energy: 855.9549933109097
Energy: 853.8189373246871
Energy: 855.9549933109097
Energy: 852.4949720921819
Energy: 853.1118154946787
Energy: 852.4949720921852
Energy: 853.1118154946795
Energy: 852.4949720921835
Energy: 853.1118154946803
Energy: 854.5482424735976
Energy: 847.7055719621062
Energy: 854.5482424736
Energy: 847.7055719621062
Energy: 854.5482424736041
Energy: 847.7055719621054
Energy: 854.6030372075411
Energy: 856.0705565277116
Energy: 854.6030372075435
Energy: 856.070556528596
Energy: 854.6030372075411
Energy: 856.070556528596
Energy: 851.5063098009872
Energy: 854.0288441756998
Energy: 851.5063098009888
Energy: 854.0288441756989
Energy: 851.5063098009897
Energy: 854.0288441756989
Energy: 850.5701052759791
Energy: 846.7166551565256
Energy: 850.5701052759807
Energy: 846.7166551565256
Energy: 850.5701052759807
Energy: 846.7166551565247
Energy: 846.9582382585593
Energy: 848.6098237959219
Energy: 846.9582382585618
Energy: 848.6098237959212
Energy: 846.9582382585618
Energy: 848.6098237959212
Energy: 847.8851359358081
Energy: 851.382976753598
Energy: 847.8851359358088
Energy: 851.382976753598
Energy: 847.8851359358081
Energy: 851.382976753598
Energy: 851.6792752082956
Energy: 846.3179608350971
Energy: 851.6792752082973
Energy: 846.3179608350971
Energy: 851.6792752082973
Energy: 846.3179608350963
Energy: 852.2805352986725
Energy: 853.229773397927
Energy: 852.2805352986758
Energy: 852.7574744467828
Energy: 852.2805352986742
Energy: 851.1469848656641
Energy: 848.4101706116364
Energy: 854.1778646445855
Energy: 848.4101706116387
Energy: 854.1778646445855
Energy: 848.4101706116373
Energy: 854.1778646445846
Energy: 851.708759286357
Energy: 851.2006026846568
Energy: 851.7087592863586
Energy: 851.2006026846568
Energy: 851.7087592863555
Energy: 851.2006026846559
Energy: 851.7464454162413
Energy: 850.5604756691943
Energy: 851.7464454162428
Energy: 850.5604756691952
Energy: 851.7464454162406
Energy: 850.5604756691935
Energy: 848.4463569544263
Energy: 856.5052696568649
Energy: 848.4463569544295
Energy: 856.5052696568058
Energy: 848.446356954427
Energy: 857.6115539347475
Energy: 851.2480276152106
Energy: 850.7403692186651
Energy: 851.2480276152139
Energy: 850.7403692186642
Energy: 851.248027615212
Energy: 850.7403692186627
Energy: 852.2239630071674
Energy: 851.1553887278187
Energy: 852.2239630071691
Energy: 851.1553887278203
Energy: 852.2239630071683
Energy: 851.1553887278203
Energy: 848.4585052952156
Energy: 854.6255749679974
Energy: 848.4585052952195
Energy: 854.6255749679981
Energy: 848.4585052952165
Energy: 854.6255749679981
Energy: 852.5379197660883
Energy: 851.4809694074247
Energy: 852.53791976609
Energy: 851.4809694074263
Energy: 852.53791976609
Energy: 851.480969407424
Energy: 852.2189189774275
Energy: 846.2629852146621
Energy: 852.2189189774299
Energy: 846.2629852146628
Energy: 852.2189189774275
Energy: 846.2629852146637
Energy: 847.3943101672292
Energy: 851.4762055197214
Energy: 847.8667900061897
Energy: 851.4762055197222
Energy: 847.3943101672305
Energy: 851.4762055197222
Energy: 847.0055772622569
Energy: 848.4671542018382
Energy: 847.723516667403
Energy: 848.467154201839
Energy: 847.0055772622587
Energy: 848.4671542018373
Energy: 850.0114277899438
Energy: 846.6727162189303
Energy: 850.0862722526983
Energy: 846.6727162189311
Energy: 850.0114277899461
Energy: 846.6727162189303
Energy: 851.5293925603646
Energy: 853.3201214188636
Energy: 851.5365301636077
Energy: 853.320121418865
Energy: 851.5293925603662
Energy: 853.3201214188645
Energy: 854.5448817013107
Energy: 856.0143980615724
Energy: 854.5448817013123
Energy: 856.0143980615683
Energy: 854.5448817013114
Energy: 856.01439806157
Energy: 854.1222796221044
Energy: 847.644441987485
Energy: 854.1222796221053
Energy: 847.644441987485
Energy: 854.1222796221053
Energy: 847.6444419874845
Energy: 853.0887376629126
Energy: 852.4881804080799
Energy: 853.088737662914
Energy: 852.4881804080799
Energy: 853.0887376629126
Energy: 852.4881804080792
Energy: 853.6154906598241
Energy: 856.2419345676459
Energy: 853.6154906598265
Energy: 856.2419345676443
Energy: 853.615490659825
Energy: 856.2419345676435
Energy: 856.6064904911855
Energy: 854.8390680316407
Energy: 856.6064904911862
Energy: 854.8390680316407
Energy: 856.6064904888209
Energy: 854.8390680316398
Energy: 855.0686857249598
Energy: 851.991806432137
Energy: 855.0686857249607
Energy: 851.991806432137
Energy: 855.0686857249616
Energy: 851.991806432137
Energy: 851.7587264894813
Energy: 854.6713434848343
Energy: 851.7587264894854
Energy: 854.6713434848359
Energy: 851.7587264894837
Energy: 854.6713434848351
Energy: 853.2744115398855
Energy: 854.3116048361763
Energy: 853.2744115398896
Energy: 854.3116048361757
Energy: 853.2744115398888
Energy: 854.3116048361763
Energy: 852.5774449558838
Energy: 853.2583265538775
Energy: 852.5774449558877
Energy: 853.2583265538824
Energy: 852.5774449558845
Energy: 853.2583265538824
Energy: 848.3826395710295
Energy: 852.3802327783125
Energy: 848.3826395710308
Energy: 852.3802327783125
Energy: 848.3826395710295
Energy: 852.3802327783118
Energy: 853.7125739778576
Energy: 850.2188833996964
Energy: 853.7125739778598
Energy: 850.2188833996964
Energy: 853.7125739778584
Energy: 850.2188833996972
Energy: 852.6203226781121
Energy: 854.1244714921102
Energy: 852.6203226781162
Energy: 854.1244714921095
Energy: 852.6203226781162
Energy: 854.1244714921086
Energy: 851.7773092026221
Energy: 854.9832732621085
Energy: 851.7773092026245
Energy: 854.983273262111
Energy: 851.7773092026229
Energy: 854.9832732621119
Energy: 854.9909605720684
Energy: 852.0267049340538
Energy: 854.9909605720661
Energy: 852.0267049340547
Energy: 854.9909605720676
Energy: 852.0267049340522

minimum gb energy = 846.2629852146621 eV
minimum distance =  1.36744479921005 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1041.0316784226502
Energy: 1044.100801946072
Energy: 1041.0316784226488
Energy: 1044.1008019460708
Energy: 1041.0316784226475
Energy: 1044.1008019460708
Energy: 1046.8495871137552
Energy: 1045.1924216705643
Energy: 1046.8495871137536
Energy: 1045.1924216705643
Energy: 1046.8495871137525
Energy: 1045.1924216705643
Energy: 1048.427820126164
Energy: 1045.6334787944154
Energy: 1048.4278201261627
Energy: 1045.6334787944154
Energy: 1048.4278201261614
Energy: 1045.6334787944154
Energy: 1043.9165329533146
Energy: 1048.271402625263
Energy: 1043.9165329533132
Energy: 1048.271402625263
Energy: 1043.9165329533118
Energy: 1048.2714026252618
Energy: 1048.4377974441
Energy: 1049.1629636841558
Energy: 1048.4377974440988
Energy: 1049.1629636841546
Energy: 1048.4377974440974
Energy: 1049.1629636841546
Energy: 1048.3525831297661
Energy: 1046.028582854021
Energy: 1048.352583129765
Energy: 1046.028582854021
Energy: 1048.3525831297634
Energy: 1046.028582854021
Energy: 1048.996511863736
Energy: 1047.559521908947
Energy: 1048.9965118637344
Energy: 1047.559521908947
Energy: 1048.996511863736
Energy: 1047.559521908946
Energy: 1050.3712661628538
Energy: 1047.1473835675972
Energy: 1050.3712661628513
Energy: 1047.1473835675959
Energy: 1050.3712661628513
Energy: 1047.1473835675959
Energy: 1050.6685401204527
Energy: 1046.5286320755904
Energy: 1050.6685401204513
Energy: 1046.5286320755904
Energy: 1050.6685401204513
Energy: 1046.5286320755904
Energy: 1045.1178027657027
Energy: 1047.5207076860856
Energy: 1045.1178027657027
Energy: 1047.520707686087
Energy: 1045.1178027657013
Energy: 1047.520707686087
Energy: 1049.4688548236338
Energy: 1044.647163574908
Energy: 1049.4688548236325
Energy: 1044.6471635749092
Energy: 1049.4688548236325
Energy: 1044.6471635749092
Energy: 1050.670499927398
Energy: 1047.7510620809917
Energy: 1050.670499927398
Energy: 1047.7510620809906
Energy: 1050.670499927398
Energy: 1047.7510620809906
Energy: 1045.7090394383192
Energy: 1044.6665049065866
Energy: 1045.7090394383179
Energy: 1044.6665049065866
Energy: 1045.7090394383167
Energy: 1044.6665049065853
Energy: 1043.7137692199667
Energy: 1042.563398611295
Energy: 1043.7137692199653
Energy: 1042.5633986112935
Energy: 1043.713769219964
Energy: 1042.5633986112935
Energy: 1048.9069447871327
Energy: 1040.1305688736272
Energy: 1048.9069447871316
Energy: 1040.1305688736272
Energy: 1048.9069447871302
Energy: 1040.1305688736272
Energy: 1045.508755091775
Energy: 1046.9889798454078
Energy: 1045.5087550917722
Energy: 1046.9889798454078
Energy: 1045.5087550917722
Energy: 1046.9889798454078
Energy: 1040.6961580575091
Energy: 1048.7271150677013
Energy: 1040.6961580575066
Energy: 1048.7271150677013
Energy: 1040.6961580575066
Energy: 1048.7271150677013
Energy: 1049.676903393115
Energy: 1039.8545849542318
Energy: 1049.6769033931134
Energy: 1039.8545849542306
Energy: 1049.6769033931134
Energy: 1039.8545849542306
Energy: 1044.7145444610662
Energy: 1045.3673227620673
Energy: 1044.7145444610635
Energy: 1045.3673227620689
Energy: 1044.7145444610635
Energy: 1045.3673227620673
Energy: 1046.1232439258647
Energy: 1048.8310011107412
Energy: 1046.123243925863
Energy: 1048.8310011107385
Energy: 1046.123243925862
Energy: 1048.8310011107399
Energy: 1048.9961574438826
Energy: 1043.3014385472575
Energy: 1048.9961574438814
Energy: 1043.3014385472575
Energy: 1048.9961574438814
Energy: 1043.3014385472575
Energy: 1049.0650398204875
Energy: 1045.8835091942926
Energy: 1049.0650398204875
Energy: 1045.8835091942926
Energy: 1049.0650398204862
Energy: 1045.8835091942913
Energy: 1041.6074928267549
Energy: 1050.9057173898975
Energy: 1041.6074928267535
Energy: 1050.9057173898989
Energy: 1041.6074928267521
Energy: 1050.9057173898975
Energy: 1048.920158061487
Energy: 1045.3109373152843
Energy: 1048.9201580614858
Energy: 1045.3109373152843
Energy: 1048.9201580614858
Energy: 1045.3109373152843
Energy: 1049.3840411157635
Energy: 1048.9892846737591
Energy: 1049.3840411157623
Energy: 1048.9892846737605
Energy: 1049.384041115761
Energy: 1048.9892846737591
Energy: 1046.4230626775798
Energy: 1050.8992774462652
Energy: 1046.4230626775784
Energy: 1050.8992774462665
Energy: 1046.4230626775757
Energy: 1050.899277446264
Energy: 1049.1683702516762
Energy: 1045.7302538143178
Energy: 1049.1683702516762
Energy: 1045.7302538143178
Energy: 1049.1683702516748
Energy: 1045.7302538143165

minimum gb energy = 1039.8545849542306 eV
minimum distance =  1.36836290659239 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 711.0039848222021
Energy: 716.8101138958987
Energy: 711.0039848222012
Energy: 716.8101138958978
Energy: 711.0039848222012
Energy: 716.8101138958978
Energy: 718.5090843581905
Energy: 713.8603303727942
Energy: 718.5090843581896
Energy: 713.8603303727942
Energy: 718.5090843581886
Energy: 713.8603303727932
Energy: 720.6786974390279
Energy: 714.0769124969338
Energy: 720.6786974390287
Energy: 714.0769124969338
Energy: 720.6786974390269
Energy: 714.0769124969347
Energy: 713.0500190162483
Energy: 719.4227623499784
Energy: 713.0500190162472
Energy: 719.4227623499792
Energy: 713.0500190162462
Energy: 719.4227623499784
Energy: 719.5399470854184
Energy: 715.9885720633199
Energy: 719.5399470854175
Energy: 715.9885720633188
Energy: 719.5399470854175
Energy: 715.9885720633188
Energy: 718.6390571197729
Energy: 716.439763857789
Energy: 718.639057119772
Energy: 716.439763857789
Energy: 718.639057119772
Energy: 716.439763857788
Energy: 715.680291570249
Energy: 719.0863482860068
Energy: 715.680291570248
Energy: 719.0863482860068
Energy: 715.680291570248
Energy: 719.0863482860068
Energy: 719.8203847273818
Energy: 719.7038024704013
Energy: 719.8203847273809
Energy: 719.7038024704013
Energy: 719.8203847273809
Energy: 719.7038024704013
Energy: 721.3957028012289
Energy: 718.0056170609685
Energy: 721.3957028012298
Energy: 718.0056170609685
Energy: 721.3957028012298
Energy: 718.0056170609676
Energy: 716.5755386406865
Energy: 720.5992313330365
Energy: 716.5755386406855
Energy: 720.5992313330365
Energy: 716.5755386406855
Energy: 720.5992313330365
Energy: 720.805785325015
Energy: 720.2610990251696
Energy: 720.8057853250169
Energy: 720.2610990251685
Energy: 720.8057853250159
Energy: 720.2610990251685
Energy: 721.4267107357915
Energy: 717.3960443895467
Energy: 721.4267107357924
Energy: 717.3960443895467
Energy: 721.4267107352925
Energy: 717.3960443895467
Energy: 717.453313709092
Energy: 721.5380963709852
Energy: 717.4533137090912
Energy: 721.5380963709852
Energy: 717.4533137090912
Energy: 721.5380963709852
Energy: 719.8594144757951
Energy: 720.6587234028058
Energy: 719.8594144757951
Energy: 720.6587234028058
Energy: 719.8594144757951
Energy: 720.6587234028058
Energy: 721.2446010949559
Energy: 716.9092321717824
Energy: 721.2446010949559
Energy: 716.9092321717835
Energy: 721.2446010949559
Energy: 716.9092321717835
Energy: 714.2108026970318
Energy: 719.2746548882996
Energy: 714.2108026970318
Energy: 719.2746548882996
Energy: 714.2108026970309
Energy: 719.2746548882996
Energy: 715.6588372778737
Energy: 721.4527423357995
Energy: 715.6588372778726
Energy: 721.4527423357995
Energy: 715.6588372778726
Energy: 721.4527423357995
Energy: 720.9031133618172
Energy: 716.5636944286617
Energy: 720.9031133618172
Energy: 716.5636944286617
Energy: 720.9031133618181
Energy: 716.5636944286608
Energy: 718.3098806478463
Energy: 716.2207407350326
Energy: 718.3098806478463
Energy: 716.2207407350326
Energy: 718.3098806478453
Energy: 716.2207407350326
Energy: 713.0538721321253
Energy: 719.2626937166857
Energy: 713.0538721321253
Energy: 719.2626937166857
Energy: 713.0538721321244
Energy: 719.2626937166857
Energy: 720.0014526519528
Energy: 714.3125351540392
Energy: 720.0014526519528
Energy: 714.3125351540401
Energy: 720.0014526519518
Energy: 714.3125351540401
Energy: 713.8131507536092
Energy: 718.6311600689353
Energy: 713.8131507536092
Energy: 718.6311600689353
Energy: 713.8131507536084
Energy: 718.6311600689353
Energy: 715.0352770311918
Energy: 719.7960088281671
Energy: 715.0352770311899
Energy: 719.7960088281671
Energy: 715.0352770311899
Energy: 719.7960088281671
Energy: 719.661773175903
Energy: 714.2929231439067
Energy: 719.661773175903
Energy: 714.2929231439067
Energy: 719.661773175903
Energy: 714.2929231439067
Energy: 717.0477076266138
Energy: 721.1320976592754
Energy: 717.0477076266138
Energy: 721.1320976592754
Energy: 717.0477076266138
Energy: 721.1320976592754
Energy: 717.8017339561918
Energy: 719.9153128503609
Energy: 717.8017339561918
Energy: 719.9153128503609
Energy: 717.8017339561909
Energy: 719.9153128503609
Energy: 722.4363744471567
Energy: 716.4638984858365
Energy: 722.4363744471577
Energy: 716.4638984858374
Energy: 722.4363744471567
Energy: 716.4638984858374
Energy: 719.5199572956433
Energy: 722.6553194687248
Energy: 719.5199572956424
Energy: 722.6553194687237
Energy: 719.5199572956413
Energy: 722.6553194687248
Energy: 718.0085030809878
Energy: 721.7873479684938
Energy: 718.0085030809869
Energy: 721.7873479684938
Energy: 718.0085030809869
Energy: 721.787347968493
Energy: 722.1718155905459
Energy: 719.6953951855143
Energy: 722.1718155905448
Energy: 719.6953951855143
Energy: 722.171815590544
Energy: 719.6953951855143
Energy: 720.7627296223438
Energy: 720.9747113020702
Energy: 720.7627296223449
Energy: 720.9747113020702
Energy: 720.7627296223449
Energy: 720.9747113020694
Energy: 718.1347948768374
Energy: 721.7199553050782
Energy: 718.1347948768374
Energy: 721.7199553050782
Energy: 718.1347948768366
Energy: 721.7199553050791
Energy: 721.6355248916848
Energy: 721.1156418442903
Energy: 721.6355248916848
Energy: 721.1156418442895
Energy: 721.635524891684
Energy: 721.1156418442895
Energy: 719.6651496339421
Energy: 720.5289390730208
Energy: 719.6651496339421
Energy: 720.5289390730208
Energy: 719.6651496339421
Energy: 720.5289390730208
Energy: 716.0714095453786
Energy: 721.8595734422693
Energy: 716.0714095453786
Energy: 721.8595734422693
Energy: 716.0714095453786
Energy: 721.8595734422693
Energy: 721.3668502328017
Energy: 721.3531137530762
Energy: 721.3668502328017
Energy: 721.3531137530762
Energy: 721.3668502328017
Energy: 721.353113753077

minimum gb energy = 711.0039848222012 eV
minimum distance =  1.31607323037416 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 588.3949842019258
Energy: 596.0021358712431
Energy: 588.3949842019247
Energy: 596.0021358712428
Energy: 588.3949842019254
Energy: 596.0021358712437
Energy: 593.8570800275379
Energy: 588.5612573508444
Energy: 593.8570800275371
Energy: 588.561257350837
Energy: 593.8570800275373
Energy: 588.5612573508353
Energy: 594.0029493535471
Energy: 594.6142069362018
Energy: 594.0029493535468
Energy: 594.614206936201
Energy: 594.0029493535477
Energy: 594.6142069362013
Energy: 588.3949842019249
Energy: 596.002135871242
Energy: 588.3949842019243
Energy: 596.0021358712413
Energy: 588.3949842019247
Energy: 596.0021358712428
Energy: 593.8570800275379
Energy: 588.5612573508265
Energy: 593.8570800275371
Energy: 588.5612573508342
Energy: 593.8570800275368
Energy: 588.56125735083
Energy: 594.0029493535477
Energy: 594.614206936201
Energy: 594.0029493535475
Energy: 594.6142069362003
Energy: 594.0029493535482
Energy: 594.6142069362007
Energy: 588.3949842019249
Energy: 596.0021358712423
Energy: 588.3949842019243
Energy: 596.0021358712418
Energy: 588.3949842019247
Energy: 596.0021358712423
Energy: 593.8570800275392
Energy: 588.5612573508276
Energy: 593.8570800275379
Energy: 588.5612573508216
Energy: 593.8570800275373
Energy: 588.5612573508273
Energy: 594.0029493535477
Energy: 594.6142069362027
Energy: 594.0029493535475
Energy: 594.6142069362021
Energy: 594.0029493535482
Energy: 594.6142069362021
Energy: 588.3949842019258
Energy: 596.0021358712423
Energy: 588.3949842019247
Energy: 596.002135871242
Energy: 588.3949842019258
Energy: 596.0021358712428

minimum gb energy = 588.3949842019243 eV
minimum distance =  1.57439246973449 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 648.2139472643496
Energy: 649.9860093083013
Energy: 648.2139472643496
Energy: 649.9860093083013
Energy: 648.2139472643486
Energy: 649.9860093083003
Energy: 654.5322724662961
Energy: 651.7705930387124
Energy: 654.5322724662952
Energy: 651.7705930387124
Energy: 654.5322724662952
Energy: 651.7705930387124
Energy: 656.6908789457864
Energy: 651.1700863387787
Energy: 656.6908789457864
Energy: 651.1700863387778
Energy: 655.9421826287644
Energy: 651.1700863387778
Energy: 650.4106929039788
Energy: 652.8236040961664
Energy: 650.4106929039777
Energy: 652.8236040961652
Energy: 650.4106929039788
Energy: 652.8236040961664
Energy: 655.8088053129328
Energy: 652.406700000587
Energy: 655.8088053129328
Energy: 652.406700000587
Energy: 655.8088053129317
Energy: 652.406700000587
Energy: 654.5997882701283
Energy: 651.9950498699781
Energy: 654.5997882701274
Energy: 651.9950498699781
Energy: 654.5997882701274
Energy: 651.9950498699781
Energy: 653.7645034177116
Energy: 652.2382670176949
Energy: 653.7645034177116
Energy: 652.2382670176949
Energy: 653.7645034177104
Energy: 652.2382670176949
Energy: 655.2592714767626
Energy: 652.2103532039273
Energy: 655.2592714767617
Energy: 652.2103532039273
Energy: 655.2592714767617
Energy: 652.2103532039273
Energy: 654.4169738143449
Energy: 654.6182555812298
Energy: 654.4169738143462
Energy: 654.6182555812298
Energy: 654.4169738143449
Energy: 654.6182555812298
Energy: 654.1140584427974
Energy: 656.4994704900677
Energy: 654.1140584428099
Energy: 656.4994704900668
Energy: 654.1140584427576
Energy: 656.4994704900677
Energy: 656.175802244802
Energy: 651.1268878520203
Energy: 656.175802244802
Energy: 651.1268878520193
Energy: 656.1758022448009
Energy: 651.1268878520193
Energy: 654.0952300308453
Energy: 655.3148186173806
Energy: 654.0952300308453
Energy: 655.3148186173797
Energy: 654.0952300308431
Energy: 655.3148186173806
Energy: 651.6762529663549
Energy: 657.3171831225111
Energy: 651.6762529663549
Energy: 657.3171831225111
Energy: 651.6762529663549
Energy: 657.3171831225111
Energy: 656.4554654924228
Energy: 653.8125900744071
Energy: 656.4554654924228
Energy: 653.8125900744071
Energy: 656.455465492424
Energy: 653.8125900744071
Energy: 653.743172840495
Energy: 655.2941443807337
Energy: 653.743172840495
Energy: 655.2941443807337
Energy: 653.743172840494
Energy: 655.2941443807337
Energy: 651.6337332601859
Energy: 656.8365957520367
Energy: 651.6337332601859
Energy: 656.8365957520367
Energy: 651.6337332601847
Energy: 656.8365957520367
Energy: 653.8879812115865
Energy: 649.3182760132106
Energy: 653.8879812115865
Energy: 649.3182760132097
Energy: 653.8879812115854
Energy: 649.3182760132106
Energy: 649.6559645487838
Energy: 652.8373170855343
Energy: 649.6559645487838
Energy: 652.8373170855343
Energy: 649.6559645487828
Energy: 652.8373170855343
Energy: 650.9465071672198
Energy: 655.0798068867882
Energy: 650.9465071672198
Energy: 655.0798068867882
Energy: 650.9465071672187
Energy: 655.0798068867882
Energy: 654.1374442000143
Energy: 646.9590736354653
Energy: 654.1374442000143
Energy: 646.9590736354653
Energy: 654.1374442000123
Energy: 646.9590736354653
Energy: 647.2097987204853
Energy: 652.0250640900346
Energy: 647.2097987204853
Energy: 652.0250640900334
Energy: 647.2097987204853
Energy: 652.0250640900334
Energy: 647.579378319419
Energy: 654.7510413048458
Energy: 647.579378319419
Energy: 654.7510413048458
Energy: 647.579378319418
Energy: 654.7510413048468
Energy: 653.6810325335657
Energy: 646.8852299913434
Energy: 653.6810325335657
Energy: 646.8852299913434
Energy: 653.6810325335647
Energy: 646.8852299913434
Energy: 652.3936376335504
Energy: 653.2885882744291
Energy: 652.3936376335525
Energy: 653.2885882744291
Energy: 652.3936376335504
Energy: 653.2885882744291
Energy: 650.1625599884493
Energy: 655.3155864258002
Energy: 650.1625599884493
Energy: 655.3155864257991
Energy: 650.1625599884472
Energy: 655.3155864257991
Energy: 656.0689862311078
Energy: 649.7815025475242
Energy: 656.0689862311067
Energy: 649.7815025475242
Energy: 656.0689862311058
Energy: 649.7815025475242
Energy: 653.71968844368
Energy: 651.991955273428
Energy: 653.71968844368
Energy: 651.991955273428
Energy: 653.7196884436788
Energy: 651.9919552734291
Energy: 653.6327965674195
Energy: 655.8822755357734
Energy: 653.6327965674195
Energy: 655.8822755357743
Energy: 653.6327965674195
Energy: 655.8822755357743
Energy: 656.8587981233457
Energy: 650.705501035049
Energy: 656.8587981233457
Energy: 650.705501035049
Energy: 656.8587981233457
Energy: 650.705501035049
Energy: 653.3945340243071
Energy: 652.5093892336195
Energy: 653.394534024306
Energy: 652.5093892336195
Energy: 653.394534024306
Energy: 652.5093892336195
Energy: 655.7979198244791
Energy: 654.1992454975044
Energy: 655.7979198244791
Energy: 654.1992454975033
Energy: 655.7979198244803
Energy: 654.1992454975033
Energy: 657.6135411639206
Energy: 653.6720695750774
Energy: 657.6135411639206
Energy: 653.6720695750774
Energy: 657.6135411639206
Energy: 653.6720695750774
Energy: 657.1981389035634
Energy: 653.0117172605981
Energy: 657.1981389035634
Energy: 653.0117172605981
Energy: 657.1981389035634
Energy: 653.0117172605981

minimum gb energy = 646.8852299913434 eV
minimum distance =  1.37360129177104 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 908.652377908061
Energy: 918.1585770507169
Energy: 908.652377908061
Energy: 918.1585770507153
Energy: 908.652377908061
Energy: 918.1585770507153
Energy: 918.546898085377
Energy: 914.5898892020803
Energy: 918.5468980853753
Energy: 914.5898892020803
Energy: 918.5468980853753
Energy: 914.5898892020786
Energy: 920.1774431656218
Energy: 912.7286354033442
Energy: 920.1774431656248
Energy: 912.7286354033442
Energy: 920.1774431656231
Energy: 912.7286354033442
Energy: 912.0571546006876
Energy: 921.1926631644288
Energy: 912.0571546006861
Energy: 921.1926631644288
Energy: 912.0571546006845
Energy: 921.1926631644288
Energy: 921.1129182688549
Energy: 919.3446327805815
Energy: 921.1129182688549
Energy: 919.3446327805815
Energy: 921.1129182688549
Energy: 919.3446327805815
Energy: 919.4198134867703
Energy: 918.6181759481559
Energy: 919.4198134867703
Energy: 918.6181759481559
Energy: 919.4198134867703
Energy: 918.6181759481544
Energy: 919.6531057454548
Energy: 920.089560837204
Energy: 919.6531057454548
Energy: 920.089560837204
Energy: 919.6531057454534
Energy: 920.0895608372023
Energy: 916.4954430384923
Energy: 920.0176837882873
Energy: 916.4954430384923
Energy: 920.0176837882873
Energy: 916.4954430384923
Energy: 920.0176837882873
Energy: 918.5251480351268
Energy: 919.0867077281017
Energy: 918.5251480351284
Energy: 919.0867077281032
Energy: 918.5251480351268
Energy: 919.0867077281017
Energy: 920.3584102562965
Energy: 920.371052845263
Energy: 920.3584102562965
Energy: 920.3710528452613
Energy: 920.3584102562949
Energy: 920.371052845263
Energy: 916.9687728708034
Energy: 917.2645412358675
Energy: 916.9687728708019
Energy: 917.2645412358661
Energy: 916.9687728708019
Energy: 917.2645412358661
Energy: 917.4038615482416
Energy: 916.6013240595693
Energy: 917.4038615482416
Energy: 916.6013240595693
Energy: 917.40386154824
Energy: 916.6013240595709
Energy: 919.9722847174709
Energy: 919.3078155652072
Energy: 919.9722847174709
Energy: 919.3078155652072
Energy: 919.9722847174693
Energy: 919.3078155652072
Energy: 917.9456764244493
Energy: 912.8227180819779
Energy: 917.9456764244477
Energy: 912.8227180819779
Energy: 917.9456764244477
Energy: 912.8227180819779
Energy: 912.972046660667
Energy: 915.358522494256
Energy: 912.972046660667
Energy: 915.3585224942547
Energy: 912.972046660667
Energy: 915.358522494256
Energy: 914.8514938986294
Energy: 918.3605838282433
Energy: 914.8514938986294
Energy: 918.3605838282433
Energy: 914.8514938986294
Energy: 918.3605838282433
Energy: 917.2665192505091
Energy: 912.7319779915603
Energy: 917.2665192505091
Energy: 912.7319779915603
Energy: 917.2665192505077
Energy: 912.7319779915603
Energy: 911.3840158965033
Energy: 917.1870619201306
Energy: 911.3840158965033
Energy: 917.1870619201306
Energy: 911.3840158965019
Energy: 917.1870619201322
Energy: 918.774322569515
Energy: 918.9782615398541
Energy: 918.774322569515
Energy: 918.9782615398541
Energy: 918.7743225695134
Energy: 918.9782615398526
Energy: 918.0216020233929
Energy: 913.479481841183
Energy: 918.0216020233929
Energy: 913.479481841183
Energy: 918.0216020233913
Energy: 913.479481841183
Energy: 918.2018561979733
Energy: 921.4174980017119
Energy: 918.2018561979733
Energy: 921.4174980017119
Energy: 918.2018561979733
Energy: 921.4174980017119
Energy: 918.9246505998912
Energy: 918.3134148220084
Energy: 918.9246505998929
Energy: 918.313414822007
Energy: 918.9246505998912
Energy: 918.3134148220084
Energy: 922.5979242852616
Energy: 913.5624001211671
Energy: 922.5979242852616
Energy: 913.5624001211655
Energy: 922.597924285263
Energy: 913.5624001211655

minimum gb energy = 908.652377908061 eV
minimum distance =  1.49276144602573 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 715.4828079080106
Energy: 720.2508748882942
Energy: 715.4828079080097
Energy: 720.2508748882932
Energy: 715.4828079080087
Energy: 720.2508748882942
Energy: 720.4203535613364
Energy: 723.6505984665341
Energy: 720.4203535613353
Energy: 723.6505984665341
Energy: 720.4203535613353
Energy: 723.6505984665341
Energy: 722.0707418060948
Energy: 720.7330191098588
Energy: 722.0707418060938
Energy: 720.7330191098588
Energy: 722.0707418060938
Energy: 720.7330191098588
Energy: 720.5792231806495
Energy: 726.480166133705
Energy: 720.5792231806485
Energy: 726.480166133705
Energy: 720.5792231806475
Energy: 726.480166133705
Energy: 726.2612290098436
Energy: 724.7692741593173
Energy: 726.2612290098446
Energy: 724.7692741593183
Energy: 726.2612290098446
Energy: 724.7692741593183
Energy: 722.8203615224871
Energy: 726.8564092125836
Energy: 722.8203615224871
Energy: 726.8564092125825
Energy: 722.8203615224853
Energy: 726.1094737254708
Energy: 723.1212039165022
Energy: 726.3391090284427
Energy: 723.1212039165013
Energy: 726.3391090284438
Energy: 723.1212039165003
Energy: 726.3391090284427
Energy: 726.6470631460037
Energy: 727.2862245962941
Energy: 726.6470631460037
Energy: 727.2862245962931
Energy: 726.6470631460027
Energy: 727.2862245962941
Energy: 725.9868769994448
Energy: 727.1508904906403
Energy: 725.9868769994457
Energy: 727.1508904906403
Energy: 725.9868769994467
Energy: 727.1508904906403
Energy: 716.5821483442221
Energy: 727.2973739535563
Energy: 716.5821483442214
Energy: 727.2973739535572
Energy: 716.5821483442203
Energy: 726.7297265322275
Energy: 726.3456777393286
Energy: 721.033299562463
Energy: 726.3456777393278
Energy: 721.033299562463
Energy: 726.3456777393286
Energy: 721.033299562463
Energy: 721.0449500540715
Energy: 725.8062549930808
Energy: 721.0449500540715
Energy: 725.8062549930808
Energy: 721.0449500540697
Energy: 725.8062549930808
Energy: 715.5705054621803
Energy: 720.2993689894629
Energy: 715.5705054621794
Energy: 720.2993689894629
Energy: 715.5705054621784
Energy: 720.2993689894629
Energy: 723.9260870891059
Energy: 721.0985521583127
Energy: 723.9260870891059
Energy: 721.0985521583127
Energy: 723.926087089105
Energy: 721.0985521583117
Energy: 718.7487866376656
Energy: 720.3419784768795
Energy: 718.7487866376647
Energy: 720.3419784768795
Energy: 718.7487866376637
Energy: 720.3419784768784
Energy: 720.4556404131561
Energy: 720.8885523724849
Energy: 720.4556404131561
Energy: 720.8885523724849
Energy: 720.4556404131561
Energy: 720.8885523724849
Energy: 727.6197253246478
Energy: 721.990731193937
Energy: 727.6197253246478
Energy: 721.990731193937
Energy: 727.6197253246478
Energy: 721.990731193937
Energy: 719.1852622971329
Energy: 720.5859165109076
Energy: 719.1852622971319
Energy: 720.5859165109076
Energy: 719.1852622971301
Energy: 720.5859165109076
Energy: 723.7651875107251
Energy: 720.1684295813786
Energy: 723.765187510726
Energy: 720.1684295813795
Energy: 723.7651875107251
Energy: 720.1684295813795
Energy: 726.3591233103355
Energy: 721.8661598984395
Energy: 726.3591233103346
Energy: 721.8661598984395
Energy: 726.3591233103346
Energy: 721.8661598984395
Energy: 721.2412478759579
Energy: 721.4003785885993
Energy: 721.2412478759579
Energy: 721.4003785885993
Energy: 721.241247875957
Energy: 721.4003785885993
Energy: 719.2719850141831
Energy: 726.5802786924665
Energy: 719.2719850141821
Energy: 726.5802786924665
Energy: 719.2719850141812
Energy: 726.5802786924665
Energy: 726.6912033634226
Energy: 720.9900072653877
Energy: 726.6912033634217
Energy: 720.9900072653877
Energy: 726.6912033634208
Energy: 720.9900072653877
Energy: 715.6374203431831
Energy: 724.3219202245609
Energy: 715.637420343182
Energy: 724.3219202245609
Energy: 715.6374203431811
Energy: 724.3219202245609
Energy: 722.2831616573504
Energy: 725.8272318246368
Energy: 722.2831616573495
Energy: 725.827231824636
Energy: 722.2831616573486
Energy: 725.8272318246368
Energy: 726.8021937127429
Energy: 720.997009765926
Energy: 726.8021937127421
Energy: 720.997009765925
Energy: 726.8021937127421
Energy: 720.997009765925
Energy: 724.3805488722741
Energy: 726.3763895231592
Energy: 724.3805488722741
Energy: 726.3763895231583
Energy: 724.3805488722741
Energy: 726.3763895231583
Energy: 722.0657749441067
Energy: 727.4973287764319
Energy: 722.0657749441067
Energy: 727.4973287764319
Energy: 722.0657749441058
Energy: 727.4973287764329
Energy: 726.4272545434401
Energy: 722.3016506550633
Energy: 726.4272545434393
Energy: 722.3016506550633
Energy: 726.4272545434393
Energy: 722.3016506550633
Energy: 722.7742595617298
Energy: 726.1614100827768
Energy: 722.7742595617287
Energy: 726.1614100827768
Energy: 722.7742595617278
Energy: 726.1614100827768
Energy: 722.6446222408015
Energy: 721.005759003377
Energy: 722.6446222408015
Energy: 721.0057590033759
Energy: 722.6446222408007
Energy: 721.0057590033759
Energy: 725.8790963544953
Energy: 722.9625922002061
Energy: 725.8790963544953
Energy: 722.9625922002061
Energy: 725.8790963544944
Energy: 722.9625922002061
Energy: 720.1577879946161
Energy: 720.4677594508266
Energy: 720.1577879946161
Energy: 720.4677594508266
Energy: 720.1577879946143
Energy: 720.4677594508266
Energy: 718.6795954818365
Energy: 720.534881435181
Energy: 718.6795954818355
Energy: 720.534881435181
Energy: 718.6795954818347
Energy: 720.5348814351819
Energy: 723.5248999957606
Energy: 721.764734305708
Energy: 723.5248999957597
Energy: 721.764734305708
Energy: 723.5248999957587
Energy: 721.764734305708
Energy: 715.4737209154905
Energy: 720.2317717628342
Energy: 715.4737209154905
Energy: 720.2317717628333
Energy: 715.4737209154898
Energy: 720.2317717628333
Energy: 720.4812359450466
Energy: 718.9159125393583
Energy: 720.4812359450455
Energy: 718.9159125393583
Energy: 720.4812359450436
Energy: 718.9159125393583

minimum gb energy = 715.4737209154898 eV
minimum distance =  1.41246613953778 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 787.8525427857246
Energy: 796.0688721073205
Energy: 787.8525427857246
Energy: 796.0688721073205
Energy: 787.8525427857246
Energy: 796.0688721073205
Energy: 796.7632918289557
Energy: 797.3285051467602
Energy: 796.7632918289557
Energy: 797.3285051467602
Energy: 796.7632918289557
Energy: 797.3285051467576
Energy: 797.049298102383
Energy: 796.1168327943049
Energy: 797.0492981023856
Energy: 796.1168327943049
Energy: 795.193310011544
Energy: 796.1168327943049
Energy: 788.4877345312404
Energy: 795.3014834034468
Energy: 788.4877345312378
Energy: 795.3014834034493
Energy: 788.4877345312378
Energy: 795.3014834034493
Energy: 797.4151000593157
Energy: 798.6448984384571
Energy: 797.4151000593157
Energy: 798.6448984384596
Energy: 797.4151000593157
Energy: 798.6448984384571
Energy: 788.9221594269983
Energy: 794.7475947363951
Energy: 788.9221594269983
Energy: 794.7475947363951
Energy: 788.9221594269983
Energy: 794.7475947363951
Energy: 788.666285409544
Energy: 798.5851280785306
Energy: 788.666285409544
Energy: 798.5851280785306
Energy: 788.666285409544
Energy: 798.585128078528
Energy: 788.2289939446747
Energy: 796.2930862523898
Energy: 788.2289939446774
Energy: 796.2930862523898
Energy: 788.2289939446747
Energy: 796.2930862523898
Energy: 797.4699439910437
Energy: 792.5596649235222
Energy: 797.4699439910437
Energy: 792.5596649235222
Energy: 797.4699439910437
Energy: 792.5596649235222
Energy: 787.8419916177172
Energy: 795.9179837712659
Energy: 787.8419916177172
Energy: 795.9179837712659
Energy: 787.8419916177172
Energy: 795.9179837712659
Energy: 799.2298156053254
Energy: 796.4365811364693
Energy: 799.2298156053254
Energy: 796.4365811364693
Energy: 797.3719848639851
Energy: 796.4365811364693
Energy: 795.3379322424904
Energy: 795.9885342729712
Energy: 795.3379322424904
Energy: 795.9885342729712
Energy: 795.3379322424904
Energy: 795.9885342729712
Energy: 798.2717513763329
Energy: 795.2477474664
Energy: 798.2717513763354
Energy: 795.2477474664
Energy: 798.2717513763329
Energy: 795.2477474664
Energy: 796.9786361014985
Energy: 798.2576691216892
Energy: 796.9786361014985
Energy: 798.2576691216892
Energy: 796.9786361014985
Energy: 798.2576691216892

minimum gb energy = 787.8419916177172 eV
minimum distance =  1.38396824104496 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 596.7897393778642
Energy: 604.1319658073099
Energy: 596.7897393778642
Energy: 604.1319658073099
Energy: 596.7897393778632
Energy: 604.1319658073099
Energy: 601.3115343237214
Energy: 605.2682594712226
Energy: 601.3115343237225
Energy: 605.2682594712226
Energy: 601.3115343237214
Energy: 605.2682594712226
Energy: 606.2182253542576
Energy: 603.48396158159
Energy: 606.2182253542599
Energy: 603.4839615815912
Energy: 606.2182253542576
Energy: 603.48396158159
Energy: 599.2213982628463
Energy: 607.5444926748769
Energy: 599.2213982628463
Energy: 607.5444926748769
Energy: 599.2213982628451
Energy: 607.5444926748769
Energy: 603.3591039221757
Energy: 606.762101580387
Energy: 603.3591039221757
Energy: 606.762101580387
Energy: 603.3591039221757
Energy: 606.762101580387
Energy: 602.3832702675613
Energy: 605.8183626886969
Energy: 602.3832702675613
Energy: 605.8183626886969
Energy: 602.3832702675613
Energy: 605.8183626886969
Energy: 599.0767624215018
Energy: 606.1277004265125
Energy: 599.0767624215018
Energy: 606.1277004265125
Energy: 599.0767624215018
Energy: 606.1277004265115
Energy: 604.2351441275126
Energy: 600.1149040664394
Energy: 604.2351441275136
Energy: 600.1149040664383
Energy: 604.2351441275126
Energy: 600.1149040664383
Energy: 601.0970421571108
Energy: 599.2042902243935
Energy: 601.0970421571108
Energy: 599.2042902243935
Energy: 601.0970421571108
Energy: 599.2042902243935
Energy: 602.7999852639917
Energy: 606.0861365156255
Energy: 602.7999852639917
Energy: 606.0861365156255
Energy: 602.7999852639908
Energy: 606.0861365156255
Energy: 605.1995800108721
Energy: 605.2232964921451
Energy: 605.1995800108721
Energy: 605.2232964921451
Energy: 605.1995800108721
Energy: 605.2232964921451
Energy: 603.6140881356379
Energy: 606.3574771117151
Energy: 603.6140881356389
Energy: 606.357477111716
Energy: 603.6140881356389
Energy: 606.3574771117151
Energy: 599.2818635199654
Energy: 605.2275529990288
Energy: 599.2818635199666
Energy: 605.2275529990299
Energy: 599.2818635199654
Energy: 605.2275529990288
Energy: 603.8595338020548
Energy: 600.1364613360183
Energy: 603.8595338020548
Energy: 600.1364613360183
Energy: 603.8595338020548
Energy: 600.1364613360172
Energy: 604.7627792113756
Energy: 597.8671083229369
Energy: 604.7627792113767
Energy: 597.8671083229369
Energy: 604.0522216531402
Energy: 597.8671083229369
Energy: 599.0963705281873
Energy: 606.1200478504384
Energy: 599.0963705281873
Energy: 606.1200478504384
Energy: 599.0963705281873
Energy: 606.1200478504384
Energy: 604.1457243335075
Energy: 604.8038403399454
Energy: 604.1457243335075
Energy: 604.8038403399454
Energy: 604.1457243335075
Energy: 604.8038403399454
Energy: 604.3735499662156
Energy: 604.0736646278569
Energy: 604.3735499662166
Energy: 604.0736646278557
Energy: 604.3735499662156
Energy: 604.0736646278557
Energy: 604.4438438260315
Energy: 606.3282154708161
Energy: 604.4438438260328
Energy: 606.3282154708161
Energy: 604.4438438260315
Energy: 606.3282154708161
Energy: 603.020258153291
Energy: 603.2604104165869
Energy: 603.020258153291
Energy: 603.2604104165856
Energy: 603.02025815329
Energy: 603.2604104165869
Energy: 599.5700350926405
Energy: 603.4887409755527
Energy: 599.5700350926405
Energy: 603.4887409755527
Energy: 599.5700350926405
Energy: 603.4887409755539
Energy: 596.5540628361229
Energy: 604.0207499916029
Energy: 596.5540628361217
Energy: 604.0207499916029
Energy: 596.5540628361217
Energy: 604.0207499916039
Energy: 604.3851490989402
Energy: 603.5591520342036
Energy: 604.3851490989414
Energy: 603.5591520342036
Energy: 604.3851490989402
Energy: 603.5591520342025
Energy: 603.4880972499388
Energy: 603.7761397307531
Energy: 603.48809724994
Energy: 603.7761397307531
Energy: 603.4880972499388
Energy: 603.7761397307531
Energy: 603.7945426176809
Energy: 605.3728418740243
Energy: 603.7945426176809
Energy: 605.3728418740243
Energy: 603.7945426176798
Energy: 605.3728418740243
Energy: 606.012355364915
Energy: 603.4873815169173
Energy: 606.0123553649162
Energy: 603.4873815169184
Energy: 606.012355364915
Energy: 603.4873815169173
Energy: 603.7174619614638
Energy: 603.3238463631877
Energy: 603.7174619614649
Energy: 603.3238463631877
Energy: 603.7174619614638
Energy: 603.3238463631877
Energy: 599.9938789293454
Energy: 600.9684169135639
Energy: 599.9938789293465
Energy: 600.9684169135639
Energy: 599.9938789293442
Energy: 600.9684169135639
Energy: 602.2344772625166
Energy: 600.4142091749228
Energy: 602.2344772625166
Energy: 600.414209174924
Energy: 602.2344772625166
Energy: 600.4142091749228
Energy: 601.9669077631976
Energy: 603.4477111432321
Energy: 601.9669077631987
Energy: 603.4477111432333
Energy: 601.9669077631976
Energy: 603.4477111432321
Energy: 603.0438161573376
Energy: 604.2528942476501
Energy: 603.0438161573386
Energy: 604.2528942476501
Energy: 603.0438161573376
Energy: 604.2528942476501

minimum gb energy = 596.5540628361217 eV
minimum distance =  1.33526511986711 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.8711412951454
Energy: 687.366416260501
Energy: 673.8711412951454
Energy: 687.366416260501
Energy: 673.8711412951454
Energy: 687.366416260501
Energy: 673.5689828865233
Energy: 685.8594892612942
Energy: 673.5689828865233
Energy: 685.8594892612942
Energy: 673.5689828865233
Energy: 685.8594892612942
Energy: 674.437426761076
Energy: 689.6846000541511
Energy: 674.437426761076
Energy: 689.6846000541511
Energy: 674.4374267610741
Energy: 687.4176903690028
Energy: 673.5841023986667
Energy: 686.065591160022
Energy: 673.5841023986667
Energy: 686.065591160022
Energy: 673.5841023986667
Energy: 686.065591160022
Energy: 673.8714379533849
Energy: 687.3670039158445
Energy: 673.8714379533849
Energy: 687.3670039158466
Energy: 673.8714379533849
Energy: 687.2221111441786
Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.4805779057566
Energy: 676.8155246916417
Energy: 673.8711412951454
Energy: 687.3664162605049
Energy: 673.8711412951454
Energy: 687.3664162605049
Energy: 673.8711412951454
Energy: 687.3664162605049
Energy: 673.5689828865233
Energy: 685.8594892612922
Energy: 673.5689828865233
Energy: 685.8594892612903
Energy: 673.5689828865233
Energy: 685.8594892612922
Energy: 674.437426761076
Energy: 688.2573122341312
Energy: 674.4374267610781
Energy: 686.5332638220882
Energy: 674.4374267610781
Energy: 685.7825508220814
Energy: 673.5841023986687
Energy: 686.06559116002
Energy: 673.5841023986687
Energy: 686.065591160022
Energy: 673.5841023986687
Energy: 686.065591160022
Energy: 673.8714379533849
Energy: 687.3670039158505
Energy: 673.8714379533849
Energy: 687.3670039158505
Energy: 673.8714379533849
Energy: 687.3670039158505
Energy: 673.4805779057587
Energy: 676.8155246916438
Energy: 673.4805779057587
Energy: 676.8155246916438
Energy: 673.4805779057587
Energy: 676.8155246916438
Energy: 673.8711412951475
Energy: 687.366416260501
Energy: 673.8711412951475
Energy: 687.3664162605029
Energy: 673.8711412951454
Energy: 687.366416260501
Energy: 673.5689828865233
Energy: 685.8594892612962
Energy: 673.5689828865233
Energy: 685.8594892612962
Energy: 673.5689828865233
Energy: 685.8594892612942
Energy: 674.437426761076
Energy: 686.839529527552
Energy: 674.437426761076
Energy: 685.8230674242417
Energy: 674.437426761076
Energy: 685.8230674242417
Energy: 673.5841023986667
Energy: 686.06559116002
Energy: 673.5841023986667
Energy: 686.06559116002
Energy: 673.5841023986667
Energy: 686.06559116002

minimum gb energy = 673.4805779057566 eV
minimum distance =  1.46856494419497 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 826.2878681443186
Energy: 830.539628124108
Energy: 826.2878681443186
Energy: 830.5396281241065
Energy: 826.2878681443186
Energy: 830.5396281241065
Energy: 828.7832723741387
Energy: 832.2630204768004
Energy: 828.7832723741402
Energy: 832.2630204767986
Energy: 828.7832723741387
Energy: 832.2630204768004
Energy: 834.7451218142344
Energy: 832.2708869535826
Energy: 834.7451218142327
Energy: 832.2708869535842
Energy: 833.6951544468401
Energy: 832.2708869535826
Energy: 830.0799988026572
Energy: 834.8809622922931
Energy: 830.0799988026588
Energy: 834.8809622922931
Energy: 830.0799988026572
Energy: 834.8809622922917
Energy: 830.9207717192356
Energy: 832.2826212091547
Energy: 830.9207717192356
Energy: 832.2826212091567
Energy: 830.9207717192356
Energy: 832.2826212091567
Energy: 831.7253110926924
Energy: 825.49387505511
Energy: 831.725311092694
Energy: 825.4938750551081
Energy: 831.7253110926924
Energy: 825.4938750551081
Energy: 830.1897392925443
Energy: 833.145447756242
Energy: 830.1897392925443
Energy: 833.145447756242
Energy: 830.1897392925443
Energy: 833.145447756242
Energy: 831.4354653717274
Energy: 829.6382932471407
Energy: 831.4354653717274
Energy: 829.6382932471389
Energy: 831.4354653717274
Energy: 829.6382932471389
Energy: 830.6333602031692
Energy: 832.0085211366959
Energy: 830.6333602031692
Energy: 832.0085211366978
Energy: 830.6333602031676
Energy: 832.0085211366959
Energy: 830.1603464676086
Energy: 830.4888593073842
Energy: 830.1603464676086
Energy: 830.4888593073828
Energy: 830.1603464676086
Energy: 830.4888593073828
Energy: 832.0979958153329
Energy: 829.7455630218249
Energy: 832.0979958153329
Energy: 829.7455630218249
Energy: 832.0979958153329
Energy: 829.7455630218233
Energy: 831.1587127099493
Energy: 825.0955432764122
Energy: 831.1587127099509
Energy: 825.0955432764122
Energy: 831.1587127099509
Energy: 825.0955432764138
Energy: 832.6183040648616
Energy: 832.6450092217152
Energy: 832.6183040648599
Energy: 832.6450092217152
Energy: 832.6183040648616
Energy: 832.6450092217136
Energy: 832.2043898166372
Energy: 831.2858382534486
Energy: 832.2043898166372
Energy: 831.2858382534486
Energy: 832.204389816639
Energy: 831.2858382534486
Energy: 834.8174192598746
Energy: 825.0488279982512
Energy: 834.8174192598765
Energy: 825.0488279982512
Energy: 833.8750080971865
Energy: 825.0488279982512
Energy: 825.8697438329884
Energy: 829.2585217467406
Energy: 825.8697438329884
Energy: 829.2585217467406
Energy: 825.8697438329884
Energy: 829.2585217467388
Energy: 825.6913631366147
Energy: 830.6350549207436
Energy: 825.6913631366147
Energy: 830.6350549207419
Energy: 825.6913631366147
Energy: 830.6350549207419
Energy: 835.2546620327851
Energy: 824.9293713704861
Energy: 835.2546620327851
Energy: 824.9293713704861
Energy: 835.2546620327851
Energy: 824.9293713704861
Energy: 833.0221262427717
Energy: 830.6250884117051
Energy: 833.0221262427732
Energy: 830.6250884117035
Energy: 833.0221262427717
Energy: 830.6250884117051
Energy: 829.8745504412692
Energy: 832.203045588029
Energy: 829.8745504412692
Energy: 832.203045588029
Energy: 829.8745504412692
Energy: 832.203045588029
Energy: 829.940278899374
Energy: 824.9267646711043
Energy: 829.940278899374
Energy: 824.9267646711027
Energy: 829.940278899374
Energy: 824.9267646711027

minimum gb energy = 824.9267646711027 eV
minimum distance =  1.5743924697345 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 726.3747954355423
Energy: 740.4092641212309
Energy: 726.3747954355438
Energy: 740.4092641212309
Energy: 726.3747954355423
Energy: 740.4092641212309
Energy: 736.6380670919367
Energy: 732.3978608833335
Energy: 736.6380670919381
Energy: 732.3978608833335
Energy: 736.6380670919397
Energy: 732.3978608833335
Energy: 733.2307380534473
Energy: 744.5126674743301
Energy: 733.2307380534487
Energy: 744.5126674743301
Energy: 733.2307380534487
Energy: 744.5126674743301
Energy: 733.1494443214197
Energy: 731.9944271102751
Energy: 733.1494443214197
Energy: 731.9944271102751
Energy: 733.1494443214197
Energy: 731.9944271102751
Energy: 731.9574933183886
Energy: 745.7791599873826
Energy: 731.9574933183901
Energy: 745.7791599873811
Energy: 731.9574933183901
Energy: 745.7791599873826
Energy: 743.7993670097205
Energy: 728.4365989371964
Energy: 743.7993670097205
Energy: 728.4365989371964
Energy: 743.7993670097218
Energy: 728.4365989371964
Energy: 732.3973820648207
Energy: 735.5786224599068
Energy: 732.3973820648207
Energy: 735.5786224599068
Energy: 732.3973820648207
Energy: 735.5786224599068
Energy: 732.5855460613741
Energy: 733.373782094678
Energy: 732.5855460613753
Energy: 733.373782094678
Energy: 732.5855460613741
Energy: 733.3737820946794
Energy: 742.4859726396982
Energy: 731.3943775395925
Energy: 742.4859726396995
Energy: 731.3943775395925
Energy: 742.4859726396995
Energy: 731.394377539591
Energy: 728.213125673084
Energy: 742.856450380242
Energy: 728.2131256730854
Energy: 742.8564503802405
Energy: 728.2131256730825
Energy: 742.856450380242
Energy: 729.8470808050716
Energy: 735.1926925230664
Energy: 729.8470808050716
Energy: 735.1926925230648
Energy: 729.8470808050716
Energy: 735.1926925230648
Energy: 735.590344264035
Energy: 732.654641808487
Energy: 735.5903442640364
Energy: 732.654641808487
Energy: 735.5903442640364
Energy: 732.6546418084855
Energy: 734.304247718702
Energy: 732.1166245564234
Energy: 734.3042477187033
Energy: 732.1166245564234
Energy: 734.3042477187033
Energy: 732.1166245564234
Energy: 730.8594866207069
Energy: 740.9747049436866
Energy: 730.8594866207069
Energy: 740.9747049436866
Energy: 730.8594866207069
Energy: 740.9747049436866
Energy: 743.7661779111708
Energy: 727.7501898219284
Energy: 743.7661779111721
Energy: 727.7501898219284
Energy: 743.7661779111721
Energy: 727.7501898219284
Energy: 732.4046046407658
Energy: 744.9889245649028
Energy: 732.4046046407658
Energy: 744.9889245649028
Energy: 732.4046046407658
Energy: 744.9889245649028
Energy: 732.9836661482647
Energy: 733.279938182109
Energy: 732.983666148266
Energy: 733.2799381821075
Energy: 732.983666148266
Energy: 733.279938182109
Energy: 732.0128844307479
Energy: 744.8589634740463
Energy: 732.0128844307494
Energy: 744.8589634740475
Energy: 732.0128844307479
Energy: 744.8589634740475
Energy: 741.5332485634258
Energy: 731.3829861991193
Energy: 741.5332485634273
Energy: 731.3829861991193
Energy: 741.5332485634273
Energy: 731.3829861991193
Energy: 726.3747954355451
Energy: 740.4092641212336
Energy: 726.3747954355451
Energy: 740.4092641212336
Energy: 726.3747954355451
Energy: 740.4092641212336
Energy: 736.6380670919353
Energy: 732.3978608833363
Energy: 736.6380670919367
Energy: 732.3978608833363
Energy: 736.6380670919367
Energy: 732.3978608833363
Energy: 733.2307380534459
Energy: 744.5126674743328
Energy: 733.2307380534473
Energy: 744.5126674743328
Energy: 733.2307380534473
Energy: 744.5126674743328
Energy: 733.1494443214154
Energy: 731.9944271102751
Energy: 733.1494443214169
Energy: 731.9944271102751
Energy: 733.1494443214182
Energy: 731.9944271102763
Energy: 731.9574933183901
Energy: 745.7791599873755
Energy: 731.9574933183914
Energy: 745.7791599873742
Energy: 731.9574933183914
Energy: 745.7791599873755
Energy: 743.7993670097178
Energy: 728.4365989371964
Energy: 743.799367009719
Energy: 728.4365989371992
Energy: 743.799367009719
Energy: 728.4365989371979

minimum gb energy = 726.3747954355423 eV
minimum distance =  1.6551823659087 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 563.3752091915534
Energy: 571.2833308371834
Energy: 563.3752091915534
Energy: 571.2833308371821
Energy: 563.3752091915534
Energy: 571.2833308371834
Energy: 571.0620397124134
Energy: 574.0918361995543
Energy: 571.0620397124134
Energy: 574.0918361995556
Energy: 571.0620397124134
Energy: 574.0918361995556
Energy: 573.1239350288387
Energy: 570.476906595558
Energy: 573.1239350288375
Energy: 570.476906595558
Energy: 573.7632796082955
Energy: 570.4769065955568
Energy: 569.7234713298782
Energy: 574.233957067285
Energy: 569.7234713298782
Energy: 574.233957067285
Energy: 569.7234713298768
Energy: 574.233957067285
Energy: 573.4495682223858
Energy: 568.3005623687762
Energy: 573.4495682223858
Energy: 568.3005623687762
Energy: 573.4495682223869
Energy: 568.3005623687751
Energy: 570.0530667990062
Energy: 566.5615814851885
Energy: 570.0530667990073
Energy: 566.5615814851885
Energy: 570.0530667990073
Energy: 566.5615814851885
Energy: 574.3647830167815
Energy: 572.3239323117792
Energy: 574.3647830167815
Energy: 572.3239323117792
Energy: 574.3647830167803
Energy: 572.3239323117792
Energy: 573.6817806061365
Energy: 571.0822593844447
Energy: 573.6817806061365
Energy: 571.0822593844447
Energy: 573.6817806061352
Energy: 571.0822593844459
Energy: 573.883924672053
Energy: 569.1545589020808
Energy: 573.883924672053
Energy: 569.1545589020808
Energy: 573.883924672053
Energy: 569.1545589020808
Energy: 570.7084176512677
Energy: 571.8922509114662
Energy: 570.708417651269
Energy: 571.8922509114662
Energy: 570.7084176512677
Energy: 571.8922509114662
Energy: 571.4195397329398
Energy: 570.8997995842271
Energy: 571.419539732941
Energy: 570.8997995842271
Energy: 571.419539732941
Energy: 570.8997995842271
Energy: 570.895009683983
Energy: 570.8140155280731
Energy: 570.8950096839817
Energy: 570.8140155280718
Energy: 570.8950096839817
Energy: 570.8140155280718
Energy: 572.4138444297984
Energy: 570.6586070202796
Energy: 572.4138444297994
Energy: 570.6586070202796
Energy: 572.4138444297984
Energy: 570.6586070202796
Energy: 565.6581418407858
Energy: 574.1636742823147
Energy: 565.6581418407858
Energy: 574.1636742823147
Energy: 565.6581418407858
Energy: 574.1636742823147
Energy: 568.3840469871092
Energy: 573.0248025324295
Energy: 568.3840469871092
Energy: 573.0248025324295
Energy: 568.3840469871092
Energy: 573.0248025324282
Energy: 573.3295651797247
Energy: 570.2605865867159
Energy: 573.3295651797247
Energy: 570.2605865867159
Energy: 573.3295651797247
Energy: 570.2605865867159
Energy: 569.8857984562244
Energy: 574.4154067547571
Energy: 569.8857984562258
Energy: 574.4154067547558
Energy: 569.8857984562258
Energy: 574.4154067547558
Energy: 571.5346012280015
Energy: 572.5630931910953
Energy: 571.5346012280015
Energy: 572.5630931910953
Energy: 571.5346012280004
Energy: 572.5630931910953
Energy: 573.219319516415
Energy: 566.5877503553344
Energy: 573.219319516415
Energy: 566.5877503553356
Energy: 573.2193195164137
Energy: 566.5877503553356
Energy: 571.3832028219481
Energy: 570.1441220435424
Energy: 571.3832028219481
Energy: 570.1441220435412
Energy: 571.3832028219481
Energy: 570.1441220435424
Energy: 574.9870428730164
Energy: 571.5872234234042
Energy: 574.9870428730164
Energy: 571.587223423403
Energy: 574.9870428730152
Energy: 571.5872234234042
Energy: 573.396555343468
Energy: 568.8635628185358
Energy: 573.3965553434691
Energy: 568.8635628185358
Energy: 573.396555343468
Energy: 568.8635628185345
Energy: 568.0025491459566
Energy: 571.8050279221629
Energy: 568.0025491459566
Energy: 571.8050279221629
Energy: 568.0025491459566
Energy: 571.8050279221629
Energy: 568.4815547296627
Energy: 572.177306242661
Energy: 568.4815547296627
Energy: 572.177306242661
Energy: 568.4815547296639
Energy: 572.1773062426598
Energy: 571.5712989214687
Energy: 570.0230346040245
Energy: 571.571298921452
Energy: 570.0230346040245
Energy: 571.5712989214509
Energy: 570.0230346040245
Energy: 572.3045573665554
Energy: 572.7674200398776
Energy: 572.3045573665554
Energy: 572.7674200398776
Energy: 572.3045573665543
Energy: 572.7674200398776
Energy: 572.9323286643531
Energy: 575.1465190581434
Energy: 572.8020714084483
Energy: 575.1465190581434
Energy: 572.9323286643519
Energy: 575.1465190581434
Energy: 571.763394471271
Energy: 567.2869060846216
Energy: 571.7633944712719
Energy: 567.2869060846216
Energy: 571.7633944712719
Energy: 567.2869060846216
Energy: 572.7090249496313
Energy: 566.7263451647308
Energy: 572.7090249496313
Energy: 566.7263451647308
Energy: 572.70902494963
Energy: 566.7263451647308

minimum gb energy = 563.3752091915534 eV
minimum distance =  1.44564661491881 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 647.927306313934
Energy: 646.4742661072186
Energy: 647.927306313934
Energy: 646.4742661072186
Energy: 647.9273063139349
Energy: 646.4742661072175
Energy: 649.332451674754
Energy: 653.9840006289331
Energy: 649.332451674754
Energy: 653.9840006289331
Energy: 649.332451674754
Energy: 651.4703336630569
Energy: 652.8515220264734
Energy: 646.898403908008
Energy: 652.8515220264745
Energy: 646.898403908008
Energy: 652.8515220264745
Energy: 646.898403908008
Energy: 653.9871113858545
Energy: 651.9126654837505
Energy: 653.9871113976448
Energy: 651.9126654837505
Energy: 653.9871113976459
Energy: 650.7303923865638
Energy: 652.9805216888732
Energy: 648.5710087812888
Energy: 652.9805216888732
Energy: 648.5710087812877
Energy: 652.9805216888732
Energy: 648.5710087812877
Energy: 652.3845656935182
Energy: 645.2021832846943
Energy: 652.3845656935182
Energy: 645.2021832846953
Energy: 652.3845656935182
Energy: 645.2021832846943
Energy: 652.5605216331564
Energy: 652.5551297710963
Energy: 652.5605216331564
Energy: 652.5551297710963
Energy: 652.5605216331553
Energy: 652.5551297710963
Energy: 653.9050496322467
Energy: 652.7633298962357
Energy: 653.9050496322467
Energy: 652.7633298962369
Energy: 653.9050496322467
Energy: 651.802971953271
Energy: 652.5954418012326
Energy: 645.473758727377
Energy: 652.5954418012337
Energy: 645.473758727377
Energy: 652.5954418012337
Energy: 645.473758727377
Energy: 652.6491369699951
Energy: 653.9247014185939
Energy: 652.6491369699951
Energy: 653.9247014185939
Energy: 652.6491369699961
Energy: 652.9241198288009
Energy: 653.3985783960743
Energy: 653.101788784095
Energy: 653.3985783968401
Energy: 653.101788784095
Energy: 653.3985783968401
Energy: 653.1017887840939
Energy: 646.6896215280516
Energy: 652.7611791379693
Energy: 646.6896215280527
Energy: 652.7611791379671
Energy: 646.6896215280527
Energy: 650.9934875704915
Energy: 651.5927151083133
Energy: 647.5881603323535
Energy: 651.5927151083145
Energy: 647.5881603323535
Energy: 651.5927151083133
Energy: 647.5881603323535
Energy: 647.7888926489189
Energy: 652.391536050879
Energy: 647.7888926489189
Energy: 652.391536050879
Energy: 647.7888926489189
Energy: 651.2325985793074
Energy: 648.5238468671315
Energy: 649.6812036193727
Energy: 648.5238468671315
Energy: 649.6812036193727
Energy: 648.5238468671305
Energy: 649.6812036193727
Energy: 652.7738513210313
Energy: 645.2400715339683
Energy: 652.7738513210313
Energy: 645.2400715339683
Energy: 652.7738513210313
Energy: 645.2400715339671
Energy: 654.2844087248898
Energy: 652.3164032821858
Energy: 654.2844087248898
Energy: 652.3164032821858
Energy: 654.2844087248908
Energy: 652.3164032821858
Energy: 654.5244588644936
Energy: 648.607354358676
Energy: 654.5244588644948
Energy: 648.607354358676
Energy: 654.5244588644957
Energy: 648.607354358675
Energy: 653.2321424724798
Energy: 645.4007640492595
Energy: 653.2321424724809
Energy: 645.4007640492595
Energy: 653.2321424724798
Energy: 645.4007640492595
Energy: 652.4077435886254
Energy: 651.970993124562
Energy: 652.4077435886242
Energy: 651.970993124562
Energy: 652.4077435886242
Energy: 651.9709931245609
Energy: 653.7518401014419
Energy: 653.8013119328997
Energy: 653.751840101441
Energy: 653.8013119328997
Energy: 653.7518401014419
Energy: 653.8013119328997
Energy: 647.1613515691273
Energy: 646.2014556107961
Energy: 647.1613515691273
Energy: 646.2014556107961
Energy: 647.1613515691273
Energy: 646.201455610797
Energy: 649.0334846220131
Energy: 647.9762031776975
Energy: 649.0334846220121
Energy: 647.9762031776963
Energy: 649.0334846220121
Energy: 647.9762031776963
Energy: 653.4319873613314
Energy: 654.0437848746252
Energy: 653.4319873613314
Energy: 654.0437848746252
Energy: 653.4319873613324
Energy: 654.0437848746252
Energy: 646.9821734175604
Energy: 648.806491733586
Energy: 646.9821734175604
Energy: 648.806491733586
Energy: 646.9821734175604
Energy: 648.806491733586
Energy: 650.3045488695515
Energy: 645.6385458518456
Energy: 650.3045488695504
Energy: 645.6385458518467
Energy: 650.3045488695515
Energy: 645.6385458518456
Energy: 647.5743118070621
Energy: 652.4759255963231
Energy: 647.5743118070621
Energy: 652.4759255963231
Energy: 647.5743118070621
Energy: 652.4759255963231
Energy: 647.5958581580728
Energy: 651.6107533826757
Energy: 647.5958581580738
Energy: 651.6107533826747
Energy: 647.5958581580728
Energy: 651.6107533826757
Energy: 653.736143133634
Energy: 644.9786294744373
Energy: 653.736143133634
Energy: 644.9786294744373
Energy: 653.736143133635
Energy: 644.9786294744373
Energy: 654.2294497581512
Energy: 650.7975950330562
Energy: 654.2294497581502
Energy: 650.7975950330562
Energy: 654.2294497581512
Energy: 650.7975950330562
Energy: 653.9703776728016
Energy: 653.1121003732683
Energy: 653.9703776728027
Energy: 653.1121003732683
Energy: 653.9703776728027
Energy: 653.1121003732673
Energy: 647.4048459181914
Energy: 646.1590383675584
Energy: 647.4048459181914
Energy: 646.1590383675584
Energy: 647.4048459181914
Energy: 646.1590383675584
Energy: 648.715647303023
Energy: 647.5742912786086
Energy: 648.715647303023
Energy: 647.5742912786076
Energy: 648.715647303023
Energy: 647.5742912786076

minimum gb energy = 644.9786294744373 eV
minimum distance =  1.42409157132826 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 637.9849676151613
Energy: 656.2093059776773
Energy: 637.984967615163
Energy: 656.2093059776773
Energy: 637.9849676151622
Energy: 656.2093059776773
Energy: 642.8612425500888
Energy: 627.7648224695683
Energy: 642.8612425500895
Energy: 627.7648224695693
Energy: 642.8612425500888
Energy: 627.7648224695693
Energy: 661.3116699153302
Energy: 625.665761397833
Energy: 661.3116699153302
Energy: 625.665761397833
Energy: 660.7077591379251
Energy: 625.6657613978323
Energy: 642.8612425500905
Energy: 627.7648224695683
Energy: 642.8612425500905
Energy: 627.7648224695693
Energy: 642.8612425500905
Energy: 627.7648224695693

minimum gb energy = 625.6657613978323 eV
minimum distance =  1.81795183242266 Angstroms
sigma value = 1