2107
Edit1
31
34
0.250980406999588
0
0
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.922
2.200
-0.507
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.225
0.987
-0.264
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.072
0.666
-1.028
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.615
1.558
-2.034
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.312
2.771
-2.276
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.466
3.092
-1.513
N(7)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-1.951
-0.034
-0.401
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.840
-0.066
-1.363
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.382
1.010
-2.727
C(11)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.339
-0.774
-0.771
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.308
-1.317
0.556
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.622
-1.991
0.899
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.537
-1.903
-0.184
N(15)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
1.629
-1.026
-1.410
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.008
-2.638
2.102
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.308
-3.198
2.223
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.205
-3.151
1.123
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.828
-2.483
-0.072
O(21)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-0.851
1.177
-3.799
O(22)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-0.685
-1.253
1.330
H(26)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.810
2.453
0.091
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.584
0.291
0.509
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.965
3.458
-3.062
H(25)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.012
4.027
-1.707
H(8)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.963
-0.445
0.566
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.038
0.415
-0.876
H(16)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.945
-0.739
-2.369
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.296
-2.715
2.938
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.616
-3.675
3.165
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.188
-3.640
1.193
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.533
-2.423
-0.915
C(1)-C(2)
-4.922
2.200
-0.507
-4.225
0.987
-0.264
C(1)-C(6)
-4.922
2.200
-0.507
-4.466
3.092
-1.513
C(1)-H(26)
-4.922
2.200
-0.507
-5.810
2.453
0.091
C(2)-C(3)
-4.225
0.987
-0.264
-3.072
0.666
-1.028
C(2)-H(31)
-4.225
0.987
-0.264
-4.584
0.291
0.509
C(3)-C(4)
-3.072
0.666
-1.028
-2.615
1.558
-2.034
C(3)-N(7)
-3.072
0.666
-1.028
-1.951
-0.034
-0.401
C(4)-C(5)
-2.615
1.558
-2.034
-3.312
2.771
-2.276
C(4)-C(10)
-2.615
1.558
-2.034
-1.382
1.010
-2.727
C(5)-C(6)
-3.312
2.771
-2.276
-4.466
3.092
-1.513
C(5)-H(29)
-3.312
2.771
-2.276
-2.965
3.458
-3.062
C(6)-H(25)
-4.466
3.092
-1.513
-5.012
4.027
-1.707
N(7)-C(9)
-1.951
-0.034
-0.401
-0.840
-0.066
-1.363
N(7)-H(8)
-1.951
-0.034
-0.401
-1.963
-0.445
0.566
C(9)-C(10)
-0.840
-0.066
-1.363
-1.382
1.010
-2.727
C(9)-C(11)
-0.840
-0.066
-1.363
0.339
-0.774
-0.771
C(9)-H(30)
-0.840
-0.066
-1.363
0.038
0.415
-0.876
C(10)-O(21)
-1.382
1.010
-2.727
-0.851
1.177
-3.799
C(11)-C(12)
0.339
-0.774
-0.771
0.308
-1.317
0.556
C(11)-N(15)
0.339
-0.774
-0.771
1.629
-1.026
-1.410
C(12)-C(13)
0.308
-1.317
0.556
1.622
-1.991
0.899
C(12)-O(22)
0.308
-1.317
0.556
-0.685
-1.253
1.330
C(13)-C(14)
1.622
-1.991
0.899
2.537
-1.903
-0.184
C(13)-C(17)
1.622
-1.991
0.899
2.008
-2.638
2.102
C(14)-N(15)
2.537
-1.903
-0.184
1.629
-1.026
-1.410
C(14)-C(20)
2.537
-1.903
-0.184
3.828
-2.483
-0.072
N(15)-H(16)
1.629
-1.026
-1.410
1.945
-0.739
-2.369
C(17)-C(18)
2.008
-2.638
2.102
3.308
-3.198
2.223
C(17)-H(28)
2.008
-2.638
2.102
1.296
-2.715
2.938
C(18)-C(19)
3.308
-3.198
2.223
4.205
-3.151
1.123
C(18)-H(24)
3.308
-3.198
2.223
3.616
-3.675
3.165
C(19)-C(20)
4.205
-3.151
1.123
3.828
-2.483
-0.072
C(19)-H(23)
4.205
-3.151
1.123
5.188
-3.640
1.193
C(20)-H(27)
3.828
-2.483
-0.072
4.533
-2.423
-0.915
