2107
6
27
28
0.300000011920929
0.300000011920929
0.300000011920929
N(1)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
0.925
0.245
2.010
C(4)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.481
-0.454
0.845
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
2.835
-1.037
1.168
C(7)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.604
0.534
-0.308
O(10)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
3.326
-1.669
0.096
O(12)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
3.392
-0.959
2.237
C(13)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.257
1.107
-0.620
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.609
2.548
-0.700
N(15)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-1.952
2.133
-1.103
C(17)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-2.024
0.683
-1.271
C(18)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.769
0.076
-1.000
C(19)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.227
-0.009
-0.969
C(20)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-3.175
-1.306
-0.395
C(21)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.726
-2.132
-1.509
C(22)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.620
-1.331
-1.119
H(2)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.012
0.631
1.771
H(3)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.499
1.061
2.223
H(5)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.803
-1.293
0.573
H(8)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.000
0.008
-1.205
H(9)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.297
1.356
-0.018
H(11)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
4.192
-2.021
0.364
H(25)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.869
3.616
-0.668
H(16)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.755
2.791
-1.261
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-4.199
0.457
-1.188
H(24)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-3.771
-1.741
0.421
H(23)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.776
-2.961
-2.230
H(26)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.355
-1.800
-0.917
N(1)-C(4)
0.925
0.245
2.010
1.481
-0.454
0.845
N(1)-H(2)
0.925
0.245
2.010
0.012
0.631
1.771
N(1)-H(3)
0.925
0.245
2.010
1.499
1.061
2.223
C(4)-C(6)
1.481
-0.454
0.845
2.835
-1.037
1.168
C(4)-C(7)
1.481
-0.454
0.845
1.604
0.534
-0.308
C(4)-H(5)
1.481
-0.454
0.845
0.803
-1.293
0.573
C(6)-O(10)
2.835
-1.037
1.168
3.326
-1.669
0.096
C(6)-O(12)
2.835
-1.037
1.168
3.392
-0.959
2.237
C(7)-C(13)
1.604
0.534
-0.308
0.257
1.107
-0.620
C(7)-H(8)
1.604
0.534
-0.308
2.000
0.008
-1.205
C(7)-H(9)
1.604
0.534
-0.308
2.297
1.356
-0.018
O(10)-H(11)
3.326
-1.669
0.096
4.192
-2.021
0.364
C(13)-C(14)
0.257
1.107
-0.620
-0.609
2.548
-0.700
C(13)-C(18)
0.257
1.107
-0.620
-0.769
0.076
-1.000
C(14)-N(15)
-0.609
2.548
-0.700
-1.952
2.133
-1.103
C(14)-H(25)
-0.609
2.548
-0.700
-0.869
3.616
-0.668
N(15)-C(17)
-1.952
2.133
-1.103
-2.024
0.683
-1.271
N(15)-H(16)
-1.952
2.133
-1.103
-2.755
2.791
-1.261
C(17)-C(18)
-2.024
0.683
-1.271
-0.769
0.076
-1.000
C(17)-C(19)
-2.024
0.683
-1.271
-3.227
-0.009
-0.969
C(18)-C(22)
-0.769
0.076
-1.000
-0.620
-1.331
-1.119
C(19)-C(20)
-3.227
-0.009
-0.969
-3.175
-1.306
-0.395
C(19)-H(27)
-3.227
-0.009
-0.969
-4.199
0.457
-1.188
C(20)-C(21)
-3.175
-1.306
-0.395
-1.726
-2.132
-1.509
C(20)-H(24)
-3.175
-1.306
-0.395
-3.771
-1.741
0.421
C(21)-C(22)
-1.726
-2.132
-1.509
-0.620
-1.331
-1.119
C(21)-H(23)
-1.726
-2.132
-1.509
-1.776
-2.961
-2.230
C(22)-H(26)
-0.620
-1.331
-1.119
0.355
-1.800
-0.917
