2107
Edit1
41
43
0.501960813999176
0.250980406999588
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.997
2.641
0.332
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.796
2.523
-0.416
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.831
2.604
-1.834
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.068
2.802
-2.503
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.269
2.920
-1.755
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.234
2.840
-0.338
N(7)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-1.959
2.571
1.785
C(8)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.813
2.404
2.281
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.386
2.293
1.381
N(10)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
0.475
2.306
0.272
N(11)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
1.535
2.149
1.877
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.578
2.320
3.777
N(13)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
0.635
1.770
4.093
C(15)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.575
2.105
3.302
O(16)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-1.378
2.687
4.605
O(17)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
2.547
2.404
3.954
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.753
2.136
-0.434
C(21)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.886
1.930
0.550
O(22)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
4.084
1.773
-0.198
C(25)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.657
0.657
1.320
O(26)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
3.739
0.502
2.229
C(29)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.682
-0.514
0.375
C(30)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.454
-1.786
1.145
O(33)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
3.982
-0.581
-0.195
O(36)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
2.486
-2.859
0.213
H(40)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.098
2.503
-2.414
H(39)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.097
2.856
-3.601
H(38)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.228
3.065
-2.274
H(41)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.166
2.922
0.241
H(14)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.064
1.149
4.767
H(19)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.938
3.063
-1.021
H(20)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.660
1.237
-1.084
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.011
2.846
1.165
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.780
1.646
0.424
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.737
0.758
1.933
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.585
-0.297
2.704
H(35)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.880
-0.393
-0.384
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.433
-1.775
1.583
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.298
-1.949
1.848
H(34)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.985
-1.317
-0.784
H(37)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.342
-3.651
0.702
C(1)-C(2)
-1.997
2.641
0.332
-0.796
2.523
-0.416
C(1)-C(6)
-1.997
2.641
0.332
-3.234
2.840
-0.338
C(1)-N(7)
-1.997
2.641
0.332
-1.959
2.571
1.785
C(2)-C(3)
-0.796
2.523
-0.416
-0.831
2.604
-1.834
C(2)-N(10)
-0.796
2.523
-0.416
0.475
2.306
0.272
C(3)-C(4)
-0.831
2.604
-1.834
-2.068
2.802
-2.503
C(3)-H(40)
-0.831
2.604
-1.834
0.098
2.503
-2.414
C(4)-C(5)
-2.068
2.802
-2.503
-3.269
2.920
-1.755
C(4)-H(39)
-2.068
2.802
-2.503
-2.097
2.856
-3.601
C(5)-C(6)
-3.269
2.920
-1.755
-3.234
2.840
-0.338
C(5)-H(38)
-3.269
2.920
-1.755
-4.228
3.065
-2.274
C(6)-H(41)
-3.234
2.840
-0.338
-4.166
2.922
0.241
N(7)-C(8)
-1.959
2.571
1.785
-0.813
2.404
2.281
C(8)-C(9)
-0.813
2.404
2.281
0.386
2.293
1.381
C(8)-C(12)
-0.813
2.404
2.281
-0.578
2.320
3.777
C(9)-N(10)
0.386
2.293
1.381
0.475
2.306
0.272
C(9)-N(11)
0.386
2.293
1.381
1.535
2.149
1.877
N(10)-C(18)
0.475
2.306
0.272
1.753
2.136
-0.434
N(11)-C(15)
1.535
2.149
1.877
1.575
2.105
3.302
C(12)-N(13)
-0.578
2.320
3.777
0.635
1.770
4.093
C(12)-O(16)
-0.578
2.320
3.777
-1.378
2.687
4.605
N(13)-C(15)
0.635
1.770
4.093
1.575
2.105
3.302
N(13)-H(14)
0.635
1.770
4.093
1.064
1.149
4.767
C(15)-O(17)
1.575
2.105
3.302
2.547
2.404
3.954
C(18)-C(21)
1.753
2.136
-0.434
2.886
1.930
0.550
C(18)-H(19)
1.753
2.136
-0.434
1.938
3.063
-1.021
C(18)-H(20)
1.753
2.136
-0.434
1.660
1.237
-1.084
C(21)-O(22)
2.886
1.930
0.550
4.084
1.773
-0.198
C(21)-C(25)
2.886
1.930
0.550
2.657
0.657
1.320
C(21)-H(24)
2.886
1.930
0.550
3.011
2.846
1.165
O(22)-H(23)
4.084
1.773
-0.198
4.780
1.646
0.424
C(25)-O(26)
2.657
0.657
1.320
3.739
0.502
2.229
C(25)-C(29)
2.657
0.657
1.320
2.682
-0.514
0.375
C(25)-H(28)
2.657
0.657
1.320
1.737
0.758
1.933
O(26)-H(27)
3.739
0.502
2.229
3.585
-0.297
2.704
C(29)-C(30)
2.682
-0.514
0.375
2.454
-1.786
1.145
C(29)-O(33)
2.682
-0.514
0.375
3.982
-0.581
-0.195
C(29)-H(35)
2.682
-0.514
0.375
1.880
-0.393
-0.384
C(30)-O(36)
2.454
-1.786
1.145
2.486
-2.859
0.213
C(30)-H(31)
2.454
-1.786
1.145
1.433
-1.775
1.583
C(30)-H(32)
2.454
-1.786
1.145
3.298
-1.949
1.848
O(33)-H(34)
3.982
-0.581
-0.195
3.985
-1.317
-0.784
O(36)-H(37)
2.486
-2.859
0.213
2.342
-3.651
0.702
