2107
C82
58
77
0.250980406999588
0
0
C(1)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.154
-2.306
0.076
C(2)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.039
-2.134
1.461
C(3)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.555
-0.885
1.879
C(4)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.123
0.088
0.984
C(5)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.680
-1.378
-0.825
C(6)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.205
-0.151
-0.393
C(7)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.838
-2.314
-1.735
C(9)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.511
-2.143
-2.124
C(10)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.819
1.467
1.090
C(12)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.009
-2.843
2.180
C(13)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.128
-2.952
-0.563
C(14)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.887
1.040
-1.096
C(17)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.598
2.056
-0.177
C(18)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.545
-0.247
-2.630
C(20)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.162
-3.618
0.112
C(22)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.142
-3.692
1.480
C(23)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.050
0.985
-2.220
C(24)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.854
-1.405
-1.946
C(27)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.523
2.985
-0.405
C(28)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.243
-0.081
-3.052
C(30)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.115
-3.660
-0.371
C(32)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.160
-4.025
1.856
C(33)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.028
1.916
-2.415
C(34)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.923
-4.008
0.690
C(36)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.199
-0.973
-2.814
C(37)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.486
-2.830
-1.428
C(38)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.004
1.264
-3.050
C(39)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.725
-3.549
3.048
C(40)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.682
2.955
-1.542
C(43)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.838
3.443
0.703
C(44)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.995
2.854
-2.203
C(45)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.416
1.591
-2.612
C(46)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.265
1.734
-3.045
C(47)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.614
2.894
-2.406
C(48)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.323
0.869
-3.043
C(49)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.110
-0.488
-2.809
C(50)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.329
3.456
-1.537
C(51)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.588
3.439
-1.075
C(52)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.401
0.912
-1.925
C(53)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.283
4.025
-0.396
C(54)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.602
2.741
-0.368
C(55)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.005
1.469
-0.800
C(56)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.205
0.420
0.099
C(63)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.703
4.020
-0.160
C(66)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.851
-0.737
-0.543
C(67)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.105
-1.174
-2.115
C(68)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.221
-0.439
-1.718
C(69)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.609
-2.736
-0.363
C(70)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.548
-1.873
0.127
C(71)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.574
-1.945
1.495
C(72)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.793
-2.346
-1.424
C(74)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.541
3.924
0.708
C(80)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.056
-3.056
3.052
C(81)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.801
-3.047
1.864
C(82)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.217
-3.529
0.695
Sc(83)
2.39000010490417
0.79666668176651
0.439999997615814
0.439999997615814
0.439999997615814
-1.483
0.240
0.067
Sc(84)
2.39000010490417
0.79666668176651
0.439999997615814
0.439999997615814
0.439999997615814
0.620
-1.209
1.535
Sc(85)
2.39000010490417
0.79666668176651
0.439999997615814
0.439999997615814
0.439999997615814
1.278
1.265
0.079
C(1)-C(2)
-3.154
-2.306
0.076
-3.039
-2.134
1.461
C(1)-C(5)
-3.154
-2.306
0.076
-3.680
-1.378
-0.825
C(1)-C(13)
-3.154
-2.306
0.076
-2.128
-2.952
-0.563
C(2)-C(3)
-3.039
-2.134
1.461
-3.555
-0.885
1.879
C(2)-C(12)
-3.039
-2.134
1.461
-2.009
-2.843
2.180
C(3)-C(4)
-3.555
-0.885
1.879
-4.123
0.088
0.984
C(4)-C(6)
-4.123
0.088
0.984
-4.205
-0.151
-0.393
C(4)-C(10)
-4.123
0.088
0.984
-3.819
1.467
1.090
C(5)-C(6)
-3.680
-1.378
-0.825
-4.205
-0.151
-0.393
C(5)-C(24)
-3.680
-1.378
-0.825
-2.854
-1.405
-1.946
C(6)-C(14)
-4.205
-0.151
-0.393
-3.887
1.040
-1.096
C(7)-C(9)
-1.838
-2.314
-1.735
-0.511
-2.143
-2.124
C(7)-C(13)
-1.838
-2.314
-1.735
-2.128
-2.952
-0.563
C(7)-C(24)
-1.838
-2.314
-1.735
-2.854
-1.405
-1.946
C(9)-C(36)
-0.511
-2.143
-2.124
-0.199
-0.973
-2.814
C(9)-C(37)
-0.511
-2.143
-2.124
0.486
-2.830
-1.428
C(10)-C(17)
-3.819
1.467
1.090
-3.598
2.056
-0.177
C(12)-C(22)
-2.009
-2.843
2.180
-1.142
-3.692
1.480
C(13)-C(20)
-2.128
-2.952
-0.563
-1.162
-3.618
0.112
C(14)-C(17)
-3.887
1.040
-1.096
-3.598
2.056
-0.177
C(14)-C(23)
-3.887
1.040
-1.096
-3.050
0.985
-2.220
C(17)-C(27)
-3.598
2.056
-0.177
-2.523
2.985
-0.405
C(18)-C(23)
-2.545
-0.247
-2.630
-3.050
0.985
-2.220
C(18)-C(24)
-2.545
-0.247
-2.630
-2.854
-1.405
-1.946
C(18)-C(28)
-2.545
-0.247
-2.630
-1.243
-0.081
-3.052
C(20)-C(22)
-1.162
-3.618
0.112
-1.142
-3.692
1.480
C(20)-C(30)
-1.162
-3.618
0.112
0.115
-3.660
-0.371
C(22)-C(32)
-1.142
-3.692
1.480
0.160
-4.025
1.856
C(23)-C(33)
-3.050
0.985
-2.220
-2.028
1.916
-2.415
C(27)-C(40)
-2.523
2.985
-0.405
-1.682
2.955
-1.542
C(27)-C(43)
-2.523
2.985
-0.405
-1.838
3.443
0.703
C(28)-C(36)
-1.243
-0.081
-3.052
-0.199
-0.973
-2.814
C(28)-C(38)
-1.243
-0.081
-3.052
-1.004
1.264
-3.050
C(30)-C(34)
0.115
-3.660
-0.371
0.923
-4.008
0.690
C(30)-C(37)
0.115
-3.660
-0.371
0.486
-2.830
-1.428
C(32)-C(34)
0.160
-4.025
1.856
0.923
-4.008
0.690
C(32)-C(39)
0.160
-4.025
1.856
0.725
-3.549
3.048
C(33)-C(38)
-2.028
1.916
-2.415
-1.004
1.264
-3.050
C(33)-C(40)
-2.028
1.916
-2.415
-1.682
2.955
-1.542
C(34)-C(82)
0.923
-4.008
0.690
2.217
-3.529
0.695
C(36)-C(49)
-0.199
-0.973
-2.814
1.110
-0.488
-2.809
C(37)-C(72)
0.486
-2.830
-1.428
1.793
-2.346
-1.424
C(38)-C(46)
-1.004
1.264
-3.050
0.265
1.734
-3.045
C(39)-C(80)
0.725
-3.549
3.048
2.056
-3.056
3.052
C(40)-C(50)
-1.682
2.955
-1.542
-0.329
3.456
-1.537
C(43)-C(74)
-1.838
3.443
0.703
-0.541
3.924
0.708
C(44)-C(45)
1.995
2.854
-2.203
2.416
1.591
-2.612
C(44)-C(47)
1.995
2.854
-2.203
0.614
2.894
-2.406
C(44)-C(51)
1.995
2.854
-2.203
2.588
3.439
-1.075
C(45)-C(48)
2.416
1.591
-2.612
1.323
0.869
-3.043
C(45)-C(52)
2.416
1.591
-2.612
3.401
0.912
-1.925
C(46)-C(47)
0.265
1.734
-3.045
0.614
2.894
-2.406
C(46)-C(48)
0.265
1.734
-3.045
1.323
0.869
-3.043
C(47)-C(50)
0.614
2.894
-2.406
-0.329
3.456
-1.537
C(48)-C(49)
1.323
0.869
-3.043
1.110
-0.488
-2.809
C(49)-C(67)
1.110
-0.488
-2.809
2.105
-1.174
-2.115
C(50)-C(53)
-0.329
3.456
-1.537
0.283
4.025
-0.396
C(51)-C(54)
2.588
3.439
-1.075
3.602
2.741
-0.368
C(51)-C(63)
2.588
3.439
-1.075
1.703
4.020
-0.160
C(52)-C(55)
3.401
0.912
-1.925
4.005
1.469
-0.800
C(52)-C(68)
3.401
0.912
-1.925
3.221
-0.439
-1.718
C(53)-C(63)
0.283
4.025
-0.396
1.703
4.020
-0.160
C(53)-C(74)
0.283
4.025
-0.396
-0.541
3.924
0.708
C(54)-C(55)
3.602
2.741
-0.368
4.005
1.469
-0.800
C(55)-C(56)
4.005
1.469
-0.800
4.205
0.420
0.099
C(56)-C(66)
4.205
0.420
0.099
3.851
-0.737
-0.543
C(66)-C(68)
3.851
-0.737
-0.543
3.221
-0.439
-1.718
C(66)-C(70)
3.851
-0.737
-0.543
3.548
-1.873
0.127
C(67)-C(68)
2.105
-1.174
-2.115
3.221
-0.439
-1.718
C(67)-C(72)
2.105
-1.174
-2.115
1.793
-2.346
-1.424
C(69)-C(70)
2.609
-2.736
-0.363
3.548
-1.873
0.127
C(69)-C(72)
2.609
-2.736
-0.363
1.793
-2.346
-1.424
C(69)-C(82)
2.609
-2.736
-0.363
2.217
-3.529
0.695
C(70)-C(71)
3.548
-1.873
0.127
3.574
-1.945
1.495
C(71)-C(81)
3.574
-1.945
1.495
2.801
-3.047
1.864
C(80)-C(81)
2.056
-3.056
3.052
2.801
-3.047
1.864
C(81)-C(82)
2.801
-3.047
1.864
2.217
-3.529
0.695
