2107
Thymine
34
35
0
0.501960813999176
0
C(1)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.553
3.659
0.228
C(2)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.623
2.346
0.470
C(3)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.731
2.062
0.578
N(4)
1.39199995994568
0.46399998664856
0.200000002980232
0.200000002980232
0.800000011920929
1.933
3.394
0.336
C(6)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.826
4.285
0.144
O(7)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.094
5.446
-0.055
O(8)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.675
1.328
0.746
C(9)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.781
4.499
0.057
N(10)
1.39199995994568
0.46399998664856
0.200000002980232
0.200000002980232
0.800000011920929
0.457
1.564
0.640
C(11)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.163
-1.905
-0.311
C(12)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.459
-0.528
-0.219
C(13)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.286
0.149
0.912
O(14)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.524
-0.506
0.959
C(15)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.215
-1.857
0.742
O(17)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.803
-2.837
0.094
C(21)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.460
-2.537
0.240
P(23)
1.78400003910065
0.594666659832001
0.949999988079071
0.189999997615814
0.819999992847443
-0.345
-4.386
0.072
O(24)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-1.661
-5.385
0.600
O(25)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.797
-4.544
0.999
O(26)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
3.430
-2.465
1.276
O(28)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.016
-4.741
-1.319
H(34)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.618
1.879
0.524
H(5)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.702
4.044
0.226
H(31)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.805
5.299
0.830
H(32)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.691
3.867
0.160
H(33)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.783
4.969
-0.952
H(19)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.643
-2.027
-1.306
H(16)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.534
-0.625
0.053
H(18)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.275
0.025
-1.167
H(20)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.284
0.023
1.857
H(22)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.800
-2.246
1.696
H(29)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.870
-1.968
-0.621
H(30)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.251
-3.615
0.074
H(27)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.579
-1.551
1.450
C(1)-C(2)
-0.553
3.659
0.228
-0.623
2.346
0.470
C(1)-C(6)
-0.553
3.659
0.228
0.826
4.285
0.144
C(1)-C(9)
-0.553
3.659
0.228
-1.781
4.499
0.057
C(2)-N(10)
-0.623
2.346
0.470
0.457
1.564
0.640
C(2)-H(34)
-0.623
2.346
0.470
-1.618
1.879
0.524
C(3)-N(4)
1.731
2.062
0.578
1.933
3.394
0.336
C(3)-O(8)
1.731
2.062
0.578
2.675
1.328
0.746
C(3)-N(10)
1.731
2.062
0.578
0.457
1.564
0.640
N(4)-C(6)
1.933
3.394
0.336
0.826
4.285
0.144
N(4)-H(5)
1.933
3.394
0.336
2.702
4.044
0.226
C(6)-O(7)
0.826
4.285
0.144
1.094
5.446
-0.055
C(9)-H(31)
-1.781
4.499
0.057
-1.805
5.299
0.830
C(9)-H(32)
-1.781
4.499
0.057
-2.691
3.867
0.160
C(9)-H(33)
-1.781
4.499
0.057
-1.783
4.969
-0.952
N(10)-C(13)
0.457
1.564
0.640
0.286
0.149
0.912
C(11)-C(12)
0.163
-1.905
-0.311
-0.459
-0.528
-0.219
C(11)-C(15)
0.163
-1.905
-0.311
1.215
-1.857
0.742
C(11)-O(17)
0.163
-1.905
-0.311
-0.803
-2.837
0.094
C(11)-H(19)
0.163
-1.905
-0.311
0.643
-2.027
-1.306
C(12)-C(13)
-0.459
-0.528
-0.219
0.286
0.149
0.912
C(12)-H(16)
-0.459
-0.528
-0.219
-1.534
-0.625
0.053
C(12)-H(18)
-0.459
-0.528
-0.219
-0.275
0.025
-1.167
C(13)-O(14)
0.286
0.149
0.912
1.524
-0.506
0.959
C(13)-H(20)
0.286
0.149
0.912
-0.284
0.023
1.857
O(14)-C(15)
1.524
-0.506
0.959
1.215
-1.857
0.742
C(15)-C(21)
1.215
-1.857
0.742
2.460
-2.537
0.240
C(15)-H(22)
1.215
-1.857
0.742
0.800
-2.246
1.696
O(17)-P(23)
-0.803
-2.837
0.094
-0.345
-4.386
0.072
C(21)-O(26)
2.460
-2.537
0.240
3.430
-2.465
1.276
C(21)-H(29)
2.460
-2.537
0.240
2.870
-1.968
-0.621
C(21)-H(30)
2.460
-2.537
0.240
2.251
-3.615
0.074
P(23)-O(24)
-0.345
-4.386
0.072
-1.661
-5.385
0.600
P(23)-O(25)
-0.345
-4.386
0.072
0.797
-4.544
0.999
P(23)-O(28)
-0.345
-4.386
0.072
0.016
-4.741
-1.319
O(26)-H(27)
3.430
-2.465
1.276
3.579
-1.551
1.450
