2107
Edit1
38
41
0.250980406999588
0
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.295
1.018
1.466
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.308
2.413
1.202
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.543
3.109
1.119
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.766
2.409
1.299
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.753
1.014
1.562
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.518
0.318
1.646
O(7)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-4.945
3.071
1.208
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.012
0.251
1.548
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.139
1.179
1.316
C(11)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.005
-0.823
0.505
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.058
-0.697
-0.908
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.056
-1.859
-1.725
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.001
-3.146
-1.128
C(15)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.052
-3.272
0.285
C(16)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.049
-2.111
1.102
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.902
2.557
1.066
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.470
0.684
1.357
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.562
1.567
1.148
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.325
2.945
0.899
C(21)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.994
3.440
0.858
O(22)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
4.367
3.785
0.689
C(24)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.086
-2.007
2.615
O(25)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.042
-0.441
2.766
O(26)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.145
-2.630
3.649
H(38)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.361
2.953
1.053
H(36)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.553
4.188
0.905
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.700
0.470
1.692
H(37)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.508
-0.764
1.841
H(8)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.751
4.004
1.016
H(35)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.091
0.300
-1.370
H(34)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.087
-1.761
-2.820
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.010
-4.046
-1.761
H(33)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.103
-4.269
0.747
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.128
2.942
1.044
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.653
-0.385
1.540
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.592
1.182
1.171
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.810
4.505
0.656
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.187
3.266
0.747
C(1)-C(2)
-1.295
1.018
1.466
-1.308
2.413
1.202
C(1)-C(6)
-1.295
1.018
1.466
-2.518
0.318
1.646
C(1)-C(9)
-1.295
1.018
1.466
-0.012
0.251
1.548
C(2)-C(3)
-1.308
2.413
1.202
-2.543
3.109
1.119
C(2)-H(38)
-1.308
2.413
1.202
-0.361
2.953
1.053
C(3)-C(4)
-2.543
3.109
1.119
-3.766
2.409
1.299
C(3)-H(36)
-2.543
3.109
1.119
-2.553
4.188
0.905
C(4)-C(5)
-3.766
2.409
1.299
-3.753
1.014
1.562
C(4)-O(7)
-3.766
2.409
1.299
-4.945
3.071
1.208
C(5)-C(6)
-3.753
1.014
1.562
-2.518
0.318
1.646
C(5)-H(28)
-3.753
1.014
1.562
-4.700
0.470
1.692
C(6)-H(37)
-2.518
0.318
1.646
-2.508
-0.764
1.841
O(7)-H(8)
-4.945
3.071
1.208
-4.751
4.004
1.016
C(9)-C(10)
-0.012
0.251
1.548
1.139
1.179
1.316
C(9)-C(11)
-0.012
0.251
1.548
-0.005
-0.823
0.505
C(9)-O(25)
-0.012
0.251
1.548
0.042
-0.441
2.766
C(10)-C(17)
1.139
1.179
1.316
0.902
2.557
1.066
C(10)-C(18)
1.139
1.179
1.316
2.470
0.684
1.357
C(11)-C(12)
-0.005
-0.823
0.505
-0.058
-0.697
-0.908
C(11)-C(16)
-0.005
-0.823
0.505
0.049
-2.111
1.102
C(12)-C(13)
-0.058
-0.697
-0.908
-0.056
-1.859
-1.725
C(12)-H(35)
-0.058
-0.697
-0.908
-0.091
0.300
-1.370
C(13)-C(14)
-0.056
-1.859
-1.725
-0.001
-3.146
-1.128
C(13)-H(34)
-0.056
-1.859
-1.725
-0.087
-1.761
-2.820
C(14)-C(15)
-0.001
-3.146
-1.128
0.052
-3.272
0.285
C(14)-H(32)
-0.001
-3.146
-1.128
0.010
-4.046
-1.761
C(15)-C(16)
0.052
-3.272
0.285
0.049
-2.111
1.102
C(15)-H(33)
0.052
-3.272
0.285
0.103
-4.269
0.747
C(16)-C(24)
0.049
-2.111
1.102
0.086
-2.007
2.615
C(17)-C(21)
0.902
2.557
1.066
1.994
3.440
0.858
C(17)-H(31)
0.902
2.557
1.066
-0.128
2.942
1.044
C(18)-C(19)
2.470
0.684
1.357
3.562
1.567
1.148
C(18)-H(30)
2.470
0.684
1.357
2.653
-0.385
1.540
C(19)-C(20)
3.562
1.567
1.148
3.325
2.945
0.899
C(19)-H(27)
3.562
1.567
1.148
4.592
1.182
1.171
C(20)-C(21)
3.325
2.945
0.899
1.994
3.440
0.858
C(20)-O(22)
3.325
2.945
0.899
4.367
3.785
0.689
C(21)-H(29)
1.994
3.440
0.858
1.810
4.505
0.656
O(22)-H(23)
4.367
3.785
0.689
5.187
3.266
0.747
C(24)-O(25)
0.086
-2.007
2.615
0.042
-0.441
2.766
C(24)-O(26)
0.086
-2.007
2.615
0.145
-2.630
3.649
