2107
Edit1
46
48
0.250980406999588
0
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.395
-0.307
2.174
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.105
-0.883
2.028
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.054
-0.083
2.211
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.076
1.292
2.541
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.366
1.868
2.687
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.525
1.068
2.503
C(7)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.344
-0.656
2.053
N(8)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
2.452
0.111
2.217
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.373
1.521
2.554
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.083
2.094
2.712
O(11)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-3.756
1.615
2.654
O(12)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-3.501
-1.072
2.010
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.563
-2.093
1.694
C(16)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.953
2.659
1.739
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.274
-1.086
3.180
C(24)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.319
-2.176
0.405
C(25)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.582
-2.824
0.363
C(26)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.294
-2.914
-0.863
C(27)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.743
-2.355
-2.046
C(28)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.480
-1.708
-2.004
C(29)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.768
-1.618
-0.779
O(30)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
1.949
-1.185
-3.136
O(31)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
4.417
-2.451
-3.218
C(32)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.743
0.195
-2.999
C(36)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.705
-1.179
-3.732
H(46)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.004
-1.945
1.763
H(45)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.467
2.935
2.933
H(43)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.282
2.128
2.673
H(44)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.982
3.161
2.958
H(14)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.578
-2.600
1.579
H(15)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.149
-2.590
2.499
H(17)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.850
2.218
0.725
H(18)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.128
3.386
1.902
H(19)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.997
3.011
1.877
H(21)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.156
-1.728
2.972
H(22)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.617
-0.043
3.349
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.654
-1.568
3.966
H(42)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.004
-3.265
1.278
H(40)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.268
-3.424
-0.897
H(41)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.786
-1.124
-0.749
H(33)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.042
0.330
-2.147
H(34)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.249
0.539
-3.932
H(35)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.726
0.639
-2.732
H(37)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.254
-1.336
-4.685
H(38)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.382
-0.686
-3.002
H(39)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.730
-0.695
-3.951
C(1)-C(2)
-2.395
-0.307
2.174
-1.105
-0.883
2.028
C(1)-C(6)
-2.395
-0.307
2.174
-2.525
1.068
2.503
C(1)-O(12)
-2.395
-0.307
2.174
-3.501
-1.072
2.010
C(2)-C(3)
-1.105
-0.883
2.028
0.054
-0.083
2.211
C(2)-H(46)
-1.105
-0.883
2.028
-1.004
-1.945
1.763
C(3)-C(4)
0.054
-0.083
2.211
-0.076
1.292
2.541
C(3)-C(7)
0.054
-0.083
2.211
1.344
-0.656
2.053
C(4)-C(5)
-0.076
1.292
2.541
-1.366
1.868
2.687
C(4)-C(10)
-0.076
1.292
2.541
1.083
2.094
2.712
C(5)-C(6)
-1.366
1.868
2.687
-2.525
1.068
2.503
C(5)-H(45)
-1.366
1.868
2.687
-1.467
2.935
2.933
C(6)-O(11)
-2.525
1.068
2.503
-3.756
1.615
2.654
C(7)-N(8)
1.344
-0.656
2.053
2.452
0.111
2.217
C(7)-C(13)
1.344
-0.656
2.053
1.563
-2.093
1.694
N(8)-C(9)
2.452
0.111
2.217
2.373
1.521
2.554
C(9)-C(10)
2.373
1.521
2.554
1.083
2.094
2.712
C(9)-H(43)
2.373
1.521
2.554
3.282
2.128
2.673
C(10)-H(44)
1.083
2.094
2.712
0.982
3.161
2.958
O(11)-C(16)
-3.756
1.615
2.654
-3.953
2.659
1.739
O(12)-C(20)
-3.501
-1.072
2.010
-4.274
-1.086
3.180
C(13)-C(24)
1.563
-2.093
1.694
2.319
-2.176
0.405
C(13)-H(14)
1.563
-2.093
1.694
0.578
-2.600
1.579
C(13)-H(15)
1.563
-2.093
1.694
2.149
-2.590
2.499
C(16)-H(17)
-3.953
2.659
1.739
-3.850
2.218
0.725
C(16)-H(18)
-3.953
2.659
1.739
-3.128
3.386
1.902
C(16)-H(19)
-3.953
2.659
1.739
-4.997
3.011
1.877
C(20)-H(21)
-4.274
-1.086
3.180
-5.156
-1.728
2.972
C(20)-H(22)
-4.274
-1.086
3.180
-4.617
-0.043
3.349
C(20)-H(23)
-4.274
-1.086
3.180
-3.654
-1.568
3.966
C(24)-C(25)
2.319
-2.176
0.405
3.582
-2.824
0.363
C(24)-C(29)
2.319
-2.176
0.405
1.768
-1.618
-0.779
C(25)-C(26)
3.582
-2.824
0.363
4.294
-2.914
-0.863
C(25)-H(42)
3.582
-2.824
0.363
4.004
-3.265
1.278
C(26)-C(27)
4.294
-2.914
-0.863
3.743
-2.355
-2.046
C(26)-H(40)
4.294
-2.914
-0.863
5.268
-3.424
-0.897
C(27)-C(28)
3.743
-2.355
-2.046
2.480
-1.708
-2.004
C(27)-O(31)
3.743
-2.355
-2.046
4.417
-2.451
-3.218
C(28)-C(29)
2.480
-1.708
-2.004
1.768
-1.618
-0.779
C(28)-O(30)
2.480
-1.708
-2.004
1.949
-1.185
-3.136
C(29)-H(41)
1.768
-1.618
-0.779
0.786
-1.124
-0.749
O(30)-C(32)
1.949
-1.185
-3.136
1.743
0.195
-2.999
O(31)-C(36)
4.417
-2.451
-3.218
4.705
-1.179
-3.732
C(32)-H(33)
1.743
0.195
-2.999
1.042
0.330
-2.147
C(32)-H(34)
1.743
0.195
-2.999
1.249
0.539
-3.932
C(32)-H(35)
1.743
0.195
-2.999
2.726
0.639
-2.732
C(36)-H(37)
4.705
-1.179
-3.732
5.254
-1.336
-4.685
C(36)-H(38)
4.705
-1.179
-3.732
5.382
-0.686
-3.002
C(36)-H(39)
4.705
-1.179
-3.732
3.730
-0.695
-3.951
