2107

32
33
0.14509804546833
0.168627455830574
0.109803922474384
C(1)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.958
3.182
1.793
C(2)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.299
2.022
1.710
C(3)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.235
2.571
-0.339
N(4)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-0.853
3.792
-0.368
C(6)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-1.748
4.190
0.679
O(7)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-2.240
5.289
0.581
O(8)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.525
2.257
-1.224
N(9)
1.39199995994568
0.34799998998642
0.200000002980232
0.200000002980232
0.800000011920929
-0.469
1.710
0.699
C(10)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.111
-1.776
-0.126
C(11)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
-0.770
-0.703
0.699
C(12)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
0.217
0.432
0.699
O(13)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.953
0.257
-0.481
C(14)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.152
-1.128
-0.569
O(15)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
-0.874
-1.186
2.032
O(17)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.229
-2.828
0.737
C(21)
1.46200001239777
0.365500003099442
0.310000002384186
0.180000007152557
0.0350000001490116
1.409
-1.462
-2.013
P(23)
1.78400003910065
0.446000009775162
0.949999988079071
0.189999997615814
0.819999992847443
0.956
-4.097
0.052
O(24)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
1.299
-5.289
1.263
O(25)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
2.223
-3.632
-0.555
O(26)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
2.621
-0.823
-2.389
O(28)
1.33299994468689
0.333249986171722
0.800000011920929
0.200000002980232
0.200000002980232
0.036
-4.669
-0.956
H(31)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-2.621
3.402
2.643
H(32)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.450
1.280
2.508
H(5)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.902
4.611
-0.961
H(19)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-0.742
-1.999
-1.012
H(18)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.708
-0.377
0.199
H(20)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.861
0.361
1.602
H(22)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.965
-1.379
0.145
H(16)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
-1.288
-0.507
2.537
H(29)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
0.607
-1.021
-2.643
H(30)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
1.580
-2.556
-2.114
H(27)
0.777999997138977
0.194499999284744
0.300000011920929
0.800000011920929
0.800000011920929
2.493
0.102
-2.263
C(1)-C(2)
-1.958
3.182
1.793
-1.299
2.022
1.710
C(1)-C(6)
-1.958
3.182
1.793
-1.748
4.190
0.679
C(1)-H(31)
-1.958
3.182
1.793
-2.621
3.402
2.643
C(2)-N(9)
-1.299
2.022
1.710
-0.469
1.710
0.699
C(2)-H(32)
-1.299
2.022
1.710
-1.450
1.280
2.508
C(3)-N(4)
-0.235
2.571
-0.339
-0.853
3.792
-0.368
C(3)-O(8)
-0.235
2.571
-0.339
0.525
2.257
-1.224
C(3)-N(9)
-0.235
2.571
-0.339
-0.469
1.710
0.699
N(4)-C(6)
-0.853
3.792
-0.368
-1.748
4.190
0.679
N(4)-H(5)
-0.853
3.792
-0.368
-0.902
4.611
-0.961
C(6)-O(7)
-1.748
4.190
0.679
-2.240
5.289
0.581
N(9)-C(12)
-0.469
1.710
0.699
0.217
0.432
0.699
C(10)-C(11)
-0.111
-1.776
-0.126
-0.770
-0.703
0.699
C(10)-C(14)
-0.111
-1.776
-0.126
1.152
-1.128
-0.569
C(10)-O(17)
-0.111
-1.776
-0.126
0.229
-2.828
0.737
C(10)-H(19)
-0.111
-1.776
-0.126
-0.742
-1.999
-1.012
C(11)-C(12)
-0.770
-0.703
0.699
0.217
0.432
0.699
C(11)-O(15)
-0.770
-0.703
0.699
-0.874
-1.186
2.032
C(11)-H(18)
-0.770
-0.703
0.699
-1.708
-0.377
0.199
C(12)-O(13)
0.217
0.432
0.699
0.953
0.257
-0.481
C(12)-H(20)
0.217
0.432
0.699
0.861
0.361
1.602
O(13)-C(14)
0.953
0.257
-0.481
1.152
-1.128
-0.569
C(14)-C(21)
1.152
-1.128
-0.569
1.409
-1.462
-2.013
C(14)-H(22)
1.152
-1.128
-0.569
1.965
-1.379
0.145
O(15)-H(16)
-0.874
-1.186
2.032
-1.288
-0.507
2.537
O(17)-P(23)
0.229
-2.828
0.737
0.956
-4.097
0.052
C(21)-O(26)
1.409
-1.462
-2.013
2.621
-0.823
-2.389
C(21)-H(29)
1.409
-1.462
-2.013
0.607
-1.021
-2.643
C(21)-H(30)
1.409
-1.462
-2.013
1.580
-2.556
-2.114
P(23)-O(24)
0.956
-4.097
0.052
1.299
-5.289
1.263
P(23)-O(25)
0.956
-4.097
0.052
2.223
-3.632
-0.555
P(23)-O(28)
0.956
-4.097
0.052
0.036
-4.669
-0.956
O(26)-H(27)
2.621
-0.823
-2.389
2.493
0.102
-2.263
