2107
Edit1
36
40
0
0
0.250980406999588
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.191
0.755
-0.172
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.254
-0.661
-0.087
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.511
-1.320
-0.131
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.706
-0.562
-0.257
C(5)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.642
0.854
-0.342
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.385
1.512
-0.300
C(7)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.066
1.414
-0.118
C(8)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.259
0.657
0.022
C(9)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.196
-0.759
0.107
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.061
-1.418
0.054
C(11)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.837
1.612
-0.457
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
4.775
3.029
-0.530
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
3.514
3.684
-0.537
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.321
2.928
-0.397
C(15)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.515
1.317
0.088
C(16)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.706
0.561
0.247
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.644
-0.855
0.327
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.388
-1.516
0.257
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.835
-1.611
0.489
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-4.771
-3.026
0.581
C(21)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.520
-3.689
0.462
C(22)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.327
-2.933
0.324
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.560
-2.417
-0.078
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.679
-1.072
-0.297
H(36)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.116
2.510
-0.194
H(35)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.109
-2.515
0.114
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.811
1.102
-0.499
H(26)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
5.701
3.619
-0.591
H(25)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
3.462
4.776
-0.660
H(33)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.346
3.437
-0.374
H(34)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.565
2.412
0.007
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.679
1.072
0.299
H(28)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.808
-1.100
0.534
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-5.691
-3.610
0.735
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.477
-4.789
0.467
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.355
-3.444
0.260
C(1)-C(2)
1.191
0.755
-0.172
1.254
-0.661
-0.087
C(1)-C(6)
1.191
0.755
-0.172
2.385
1.512
-0.300
C(1)-C(7)
1.191
0.755
-0.172
-0.066
1.414
-0.118
C(2)-C(3)
1.254
-0.661
-0.087
2.511
-1.320
-0.131
C(2)-C(10)
1.254
-0.661
-0.087
0.061
-1.418
0.054
C(3)-C(4)
2.511
-1.320
-0.131
3.706
-0.562
-0.257
C(3)-H(27)
2.511
-1.320
-0.131
2.560
-2.417
-0.078
C(4)-C(5)
3.706
-0.562
-0.257
3.642
0.854
-0.342
C(4)-H(31)
3.706
-0.562
-0.257
4.679
-1.072
-0.297
C(5)-C(6)
3.642
0.854
-0.342
2.385
1.512
-0.300
C(5)-C(11)
3.642
0.854
-0.342
4.837
1.612
-0.457
C(6)-C(14)
2.385
1.512
-0.300
2.321
2.928
-0.397
C(7)-C(8)
-0.066
1.414
-0.118
-1.259
0.657
0.022
C(7)-H(36)
-0.066
1.414
-0.118
-0.116
2.510
-0.194
C(8)-C(9)
-1.259
0.657
0.022
-1.196
-0.759
0.107
C(8)-C(15)
-1.259
0.657
0.022
-2.515
1.317
0.088
C(9)-C(10)
-1.196
-0.759
0.107
0.061
-1.418
0.054
C(9)-C(18)
-1.196
-0.759
0.107
-2.388
-1.516
0.257
C(10)-H(35)
0.061
-1.418
0.054
0.109
-2.515
0.114
C(11)-C(12)
4.837
1.612
-0.457
4.775
3.029
-0.530
C(11)-H(30)
4.837
1.612
-0.457
5.811
1.102
-0.499
C(12)-C(13)
4.775
3.029
-0.530
3.514
3.684
-0.537
C(12)-H(26)
4.775
3.029
-0.530
5.701
3.619
-0.591
C(13)-C(14)
3.514
3.684
-0.537
2.321
2.928
-0.397
C(13)-H(25)
3.514
3.684
-0.537
3.462
4.776
-0.660
C(14)-H(33)
2.321
2.928
-0.397
1.346
3.437
-0.374
C(15)-C(16)
-2.515
1.317
0.088
-3.706
0.561
0.247
C(15)-H(34)
-2.515
1.317
0.088
-2.565
2.412
0.007
C(16)-C(17)
-3.706
0.561
0.247
-3.644
-0.855
0.327
C(16)-H(29)
-3.706
0.561
0.247
-4.679
1.072
0.299
C(17)-C(18)
-3.644
-0.855
0.327
-2.388
-1.516
0.257
C(17)-C(19)
-3.644
-0.855
0.327
-4.835
-1.611
0.489
C(18)-C(22)
-2.388
-1.516
0.257
-2.327
-2.933
0.324
C(19)-C(20)
-4.835
-1.611
0.489
-4.771
-3.026
0.581
C(19)-H(28)
-4.835
-1.611
0.489
-5.808
-1.100
0.534
C(20)-C(21)
-4.771
-3.026
0.581
-3.520
-3.689
0.462
C(20)-H(24)
-4.771
-3.026
0.581
-5.691
-3.610
0.735
C(21)-C(22)
-3.520
-3.689
0.462
-2.327
-2.933
0.324
C(21)-H(23)
-3.520
-3.689
0.462
-3.477
-4.789
0.467
C(22)-H(32)
-2.327
-2.933
0.324
-1.355
-3.444
0.260
