2107
Edit1
33
35
0.250980406999588
0
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.570
1.525
0.906
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.898
2.866
1.240
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.157
3.164
1.825
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.088
2.122
2.075
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.760
0.781
1.740
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.501
0.483
1.156
C(7)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.687
-0.262
2.002
C(8)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.355
-1.605
1.679
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.115
-1.896
1.049
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.178
-0.856
0.810
O(11)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-1.013
3.862
0.991
N(13)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-0.361
1.238
0.357
N(14)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-0.319
-0.077
0.146
C(15)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.890
-0.364
-0.402
C(16)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.218
-1.705
-0.737
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.477
-2.003
-1.321
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.408
-0.961
-1.572
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.081
0.380
-1.237
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.821
0.678
-0.653
N(21)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
4.730
-1.274
-2.199
O(22)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
5.479
-0.435
-2.401
O(23)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
5.024
-2.513
-2.530
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.414
4.204
2.075
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.067
2.354
2.519
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.666
-0.030
2.446
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.061
-2.417
1.907
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.884
-2.926
0.739
H(33)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.207
-1.086
0.349
H(12)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.223
3.467
0.586
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.492
-2.511
-0.552
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.727
-3.040
-1.589
H(25)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.798
1.188
-1.440
H(26)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.564
1.718
-0.402
C(1)-C(2)
-1.570
1.525
0.906
-1.898
2.866
1.240
C(1)-C(6)
-1.570
1.525
0.906
-2.501
0.483
1.156
C(1)-N(13)
-1.570
1.525
0.906
-0.361
1.238
0.357
C(2)-C(3)
-1.898
2.866
1.240
-3.157
3.164
1.825
C(2)-O(11)
-1.898
2.866
1.240
-1.013
3.862
0.991
C(3)-C(4)
-3.157
3.164
1.825
-4.088
2.122
2.075
C(3)-H(30)
-3.157
3.164
1.825
-3.414
4.204
2.075
C(4)-C(5)
-4.088
2.122
2.075
-3.760
0.781
1.740
C(4)-H(32)
-4.088
2.122
2.075
-5.067
2.354
2.519
C(5)-C(6)
-3.760
0.781
1.740
-2.501
0.483
1.156
C(5)-C(7)
-3.760
0.781
1.740
-4.687
-0.262
2.002
C(6)-C(10)
-2.501
0.483
1.156
-2.178
-0.856
0.810
C(7)-C(8)
-4.687
-0.262
2.002
-4.355
-1.605
1.679
C(7)-H(31)
-4.687
-0.262
2.002
-5.666
-0.030
2.446
C(8)-C(9)
-4.355
-1.605
1.679
-3.115
-1.896
1.049
C(8)-H(29)
-4.355
-1.605
1.679
-5.061
-2.417
1.907
C(9)-C(10)
-3.115
-1.896
1.049
-2.178
-0.856
0.810
C(9)-H(28)
-3.115
-1.896
1.049
-2.884
-2.926
0.739
C(10)-H(33)
-2.178
-0.856
0.810
-1.207
-1.086
0.349
O(11)-H(12)
-1.013
3.862
0.991
-0.223
3.467
0.586
N(13)-N(14)
-0.361
1.238
0.357
-0.319
-0.077
0.146
N(14)-C(15)
-0.319
-0.077
0.146
0.890
-0.364
-0.402
C(15)-C(16)
0.890
-0.364
-0.402
1.218
-1.705
-0.737
C(15)-C(20)
0.890
-0.364
-0.402
1.821
0.678
-0.653
C(16)-C(17)
1.218
-1.705
-0.737
2.477
-2.003
-1.321
C(16)-H(27)
1.218
-1.705
-0.737
0.492
-2.511
-0.552
C(17)-C(18)
2.477
-2.003
-1.321
3.408
-0.961
-1.572
C(17)-H(24)
2.477
-2.003
-1.321
2.727
-3.040
-1.589
C(18)-C(19)
3.408
-0.961
-1.572
3.081
0.380
-1.237
C(18)-N(21)
3.408
-0.961
-1.572
4.730
-1.274
-2.199
C(19)-C(20)
3.081
0.380
-1.237
1.821
0.678
-0.653
C(19)-H(25)
3.081
0.380
-1.237
3.798
1.188
-1.440
C(20)-H(26)
1.821
0.678
-0.653
1.564
1.718
-0.402
N(21)-O(22)
4.730
-1.274
-2.199
5.479
-0.435
-2.401
N(21)-O(23)
4.730
-1.274
-2.199
5.024
-2.513
-2.530
