2107
Edit1
32
35
0.250980406999588
0
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.883
-1.765
2.207
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.019
-0.913
1.079
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.422
0.375
1.087
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.689
0.812
2.222
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.553
-0.041
3.349
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.150
-1.329
3.342
N(7)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-2.859
0.927
-0.145
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.979
2.059
0.143
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.187
2.126
2.029
C(11)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.612
2.010
-0.237
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.000
0.913
-0.899
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.376
1.169
-1.142
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.749
2.449
-0.655
N(15)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
0.350
3.088
-0.010
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.344
0.335
-1.762
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.685
0.781
-1.894
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.051
2.075
-1.438
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.087
2.902
-0.802
O(21)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-1.905
3.150
2.871
O(23)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-0.646
-0.221
-1.263
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.338
-2.766
2.197
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.595
-1.247
0.204
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.993
0.301
4.232
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.053
-1.985
4.219
H(8)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.067
0.565
-1.108
H(16)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.201
4.019
0.452
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.052
-0.653
-2.148
H(26)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.439
0.128
-2.357
H(25)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.078
2.441
-1.585
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.374
3.898
-0.433
H(22)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.456
3.909
2.617
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.573
-0.312
-2.228
C(1)-C(2)
-3.883
-1.765
2.207
-4.019
-0.913
1.079
C(1)-C(6)
-3.883
-1.765
2.207
-3.150
-1.329
3.342
C(1)-H(28)
-3.883
-1.765
2.207
-4.338
-2.766
2.197
C(2)-C(3)
-4.019
-0.913
1.079
-3.422
0.375
1.087
C(2)-H(32)
-4.019
-0.913
1.079
-4.595
-1.247
0.204
C(3)-C(4)
-3.422
0.375
1.087
-2.689
0.812
2.222
C(3)-N(7)
-3.422
0.375
1.087
-2.859
0.927
-0.145
C(4)-C(5)
-2.689
0.812
2.222
-2.553
-0.041
3.349
C(4)-C(10)
-2.689
0.812
2.222
-2.187
2.126
2.029
C(5)-C(6)
-2.553
-0.041
3.349
-3.150
-1.329
3.342
C(5)-H(31)
-2.553
-0.041
3.349
-1.993
0.301
4.232
C(6)-H(27)
-3.150
-1.329
3.342
-3.053
-1.985
4.219
N(7)-C(9)
-2.859
0.927
-0.145
-1.979
2.059
0.143
N(7)-H(8)
-2.859
0.927
-0.145
-3.067
0.565
-1.108
C(9)-C(10)
-1.979
2.059
0.143
-2.187
2.126
2.029
C(9)-C(11)
-1.979
2.059
0.143
-0.612
2.010
-0.237
C(10)-O(21)
-2.187
2.126
2.029
-1.905
3.150
2.871
C(11)-C(12)
-0.612
2.010
-0.237
0.000
0.913
-0.899
C(11)-N(15)
-0.612
2.010
-0.237
0.350
3.088
-0.010
C(12)-C(13)
0.000
0.913
-0.899
1.376
1.169
-1.142
C(12)-O(23)
0.000
0.913
-0.899
-0.646
-0.221
-1.263
C(13)-C(14)
1.376
1.169
-1.142
1.749
2.449
-0.655
C(13)-C(17)
1.376
1.169
-1.142
2.344
0.335
-1.762
C(14)-N(15)
1.749
2.449
-0.655
0.350
3.088
-0.010
C(14)-C(20)
1.749
2.449
-0.655
3.087
2.902
-0.802
N(15)-H(16)
0.350
3.088
-0.010
0.201
4.019
0.452
C(17)-C(18)
2.344
0.335
-1.762
3.685
0.781
-1.894
C(17)-H(30)
2.344
0.335
-1.762
2.052
-0.653
-2.148
C(18)-C(19)
3.685
0.781
-1.894
4.051
2.075
-1.438
C(18)-H(26)
3.685
0.781
-1.894
4.439
0.128
-2.357
C(19)-C(20)
4.051
2.075
-1.438
3.087
2.902
-0.802
C(19)-H(25)
4.051
2.075
-1.438
5.078
2.441
-1.585
C(20)-H(29)
3.087
2.902
-0.802
3.374
3.898
-0.433
O(21)-H(22)
-1.905
3.150
2.871
-2.456
3.909
2.617
O(23)-H(24)
-0.646
-0.221
-1.263
-0.573
-0.312
-2.228
