2107
18_6_K
43
42
0.300000011920929
0.300000011920929
0.300000011920929
C(1)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.275
0.909
-1.133
O(2)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.685
0.547
0.086
O(3)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-1.164
1.453
-1.994
C(4)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.429
1.999
-1.736
C(5)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.486
-0.462
0.640
C(6)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.872
-0.852
1.957
O(7)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-1.603
-1.383
1.687
C(8)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.080
-1.824
2.911
C(9)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.238
-2.491
2.623
O(10)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.094
-1.517
2.092
O(11)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.562
1.492
-1.824
C(12)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.910
1.845
-3.014
C(13)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.417
2.449
-2.638
O(14)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.746
-0.418
-0.272
C(15)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.513
0.562
-0.918
C(16)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.794
0.931
-2.188
C(17)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.319
-2.149
1.835
C(18)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.470
-0.819
0.859
H(41)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.282
1.313
-0.894
H(42)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.239
0.010
-1.785
H(39)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.282
2.808
-0.989
H(40)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.855
2.296
-2.718
H(37)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.440
-1.325
-0.059
H(38)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.487
-0.014
0.817
H(35)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.469
-1.669
2.416
H(36)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.712
0.059
2.574
H(33)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.794
-2.575
3.312
H(34)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.907
-0.918
3.530
H(31)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.098
-3.259
1.832
H(32)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.695
-2.833
3.576
H(27)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.740
0.902
-3.576
H(28)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.540
2.615
-3.507
H(29)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.256
3.259
-1.894
H(30)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.974
2.720
-3.561
H(23)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.487
0.090
-1.170
H(24)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.542
1.442
-0.241
H(25)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.363
1.726
-2.716
H(26)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.567
0.010
-2.765
H(21)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.100
-3.009
1.166
H(22)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.774
-2.377
2.823
H(19)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.604
0.086
1.490
H(20)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.387
-1.326
0.489
K(43)
1.59200000762939
0.530666649341583
0.400000005960464
0.400000005960464
0.400000005960464
0.220
0.693
0.402
C(1)-O(2)
-3.275
0.909
-1.133
-2.685
0.547
0.086
C(1)-C(4)
-3.275
0.909
-1.133
-2.429
1.999
-1.736
C(1)-H(41)
-3.275
0.909
-1.133
-4.282
1.313
-0.894
C(1)-H(42)
-3.275
0.909
-1.133
-3.239
0.010
-1.785
O(2)-C(5)
-2.685
0.547
0.086
-3.486
-0.462
0.640
O(3)-C(4)
-1.164
1.453
-1.994
-2.429
1.999
-1.736
O(3)-C(13)
-1.164
1.453
-1.994
-0.417
2.449
-2.638
C(4)-H(39)
-2.429
1.999
-1.736
-2.282
2.808
-0.989
C(4)-H(40)
-2.429
1.999
-1.736
-2.855
2.296
-2.718
C(5)-C(6)
-3.486
-0.462
0.640
-2.872
-0.852
1.957
C(5)-H(37)
-3.486
-0.462
0.640
-3.440
-1.325
-0.059
C(5)-H(38)
-3.486
-0.462
0.640
-4.487
-0.014
0.817
C(6)-O(7)
-2.872
-0.852
1.957
-1.603
-1.383
1.687
C(6)-H(35)
-2.872
-0.852
1.957
-3.469
-1.669
2.416
C(6)-H(36)
-2.872
-0.852
1.957
-2.712
0.059
2.574
O(7)-C(8)
-1.603
-1.383
1.687
-1.080
-1.824
2.911
C(8)-C(9)
-1.080
-1.824
2.911
0.238
-2.491
2.623
C(8)-H(33)
-1.080
-1.824
2.911
-1.794
-2.575
3.312
C(8)-H(34)
-1.080
-1.824
2.911
-0.907
-0.918
3.530
C(9)-O(10)
0.238
-2.491
2.623
1.094
-1.517
2.092
C(9)-H(31)
0.238
-2.491
2.623
0.098
-3.259
1.832
C(9)-H(32)
0.238
-2.491
2.623
0.695
-2.833
3.576
O(10)-C(17)
1.094
-1.517
2.092
2.319
-2.149
1.835
O(11)-C(12)
1.562
1.492
-1.824
0.910
1.845
-3.014
O(11)-C(16)
1.562
1.492
-1.824
2.794
0.931
-2.188
C(12)-C(13)
0.910
1.845
-3.014
-0.417
2.449
-2.638
C(12)-H(27)
0.910
1.845
-3.014
0.740
0.902
-3.576
C(12)-H(28)
0.910
1.845
-3.014
1.540
2.615
-3.507
C(13)-H(29)
-0.417
2.449
-2.638
-0.256
3.259
-1.894
C(13)-H(30)
-0.417
2.449
-2.638
-0.974
2.720
-3.561
O(14)-C(15)
2.746
-0.418
-0.272
3.513
0.562
-0.918
O(14)-C(18)
2.746
-0.418
-0.272
3.470
-0.819
0.859
C(15)-C(16)
3.513
0.562
-0.918
2.794
0.931
-2.188
C(15)-H(23)
3.513
0.562
-0.918
4.487
0.090
-1.170
C(15)-H(24)
3.513
0.562
-0.918
3.542
1.442
-0.241
C(16)-H(25)
2.794
0.931
-2.188
3.363
1.726
-2.716
C(16)-H(26)
2.794
0.931
-2.188
2.567
0.010
-2.765
C(17)-C(18)
2.319
-2.149
1.835
3.470
-0.819
0.859
C(17)-H(21)
2.319
-2.149
1.835
2.100
-3.009
1.166
C(17)-H(22)
2.319
-2.149
1.835
2.774
-2.377
2.823
C(18)-H(19)
3.470
-0.819
0.859
3.604
0.086
1.490
C(18)-H(20)
3.470
-0.819
0.859
4.387
-1.326
0.489
