2107
Edit1
126
132
0.300000011920929
0.300000011920929
0.300000011920929
O(1)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-4.178
2.763
-0.429
C(2)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.690
3.290
0.790
C(3)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.434
4.777
0.904
C(4)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.945
5.036
0.940
C(5)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.253
4.274
2.070
C(6)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.795
2.851
2.254
C(7)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.676
2.337
3.693
O(8)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-4.174
2.664
1.948
O(9)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.024
5.465
-0.199
O(10)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.717
6.438
1.100
O(11)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.797
0.913
3.704
O(12)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.864
4.296
1.710
C(13)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.077
3.880
2.693
C(14)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
1.449
4.487
2.463
C(15)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.132
3.922
1.235
C(16)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.188
2.402
1.341
C(17)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.750
1.907
1.492
C(18)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.648
0.389
1.607
O(19)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.164
2.458
2.664
O(20)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.342
5.907
2.342
O(21)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
3.457
4.446
1.140
O(22)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.726
-0.006
1.613
O(23)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.773
1.901
0.142
C(24)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.052
1.284
0.316
C(25)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.761
1.208
-1.025
C(26)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.330
-0.043
-1.752
C(27)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.803
-1.268
-0.972
C(28)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.633
-1.046
0.537
C(29)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
5.950
-0.831
1.276
O(30)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
3.704
-0.008
0.811
O(31)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.467
2.363
-1.814
O(32)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.889
-0.075
-3.066
O(33)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
5.704
-0.619
2.668
O(34)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.030
-2.357
-1.467
C(35)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.702
-3.602
-1.615
C(36)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.080
-4.410
-2.732
C(37)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.618
-4.652
-2.440
C(38)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.448
-5.308
-1.077
C(39)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.294
-4.657
0.029
C(40)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.462
-5.591
1.228
O(41)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.615
-4.331
-0.401
O(42)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.216
-3.707
-3.970
O(43)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.070
-5.488
-3.460
O(44)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.000
-4.861
2.333
O(45)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.046
-5.479
-0.817
C(46)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.413
-4.584
0.091
C(47)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.022
-4.984
0.416
C(48)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.071
-4.475
-0.557
C(49)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.811
-2.990
-0.751
C(50)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.428
-2.899
-1.394
C(51)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.083
-1.511
-1.910
O(52)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.537
-3.262
-0.417
O(53)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-1.135
-6.402
0.535
O(54)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.371
-4.659
0.008
O(55)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.195
-1.499
-2.543
O(56)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.849
-2.411
-1.540
C(57)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.211
-1.094
-1.117
C(58)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.599
-1.002
-0.507
C(59)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.125
0.437
-0.591
C(60)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.917
1.368
-0.531
C(61)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.114
1.138
-1.830
C(62)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.663
1.601
-1.771
O(63)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.150
-0.232
-2.240
O(64)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.517
-1.876
-1.166
O(65)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-6.051
0.634
0.475
O(66)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-1.574
3.018
-1.635
H(68)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-5.793
3.125
0.794
H(69)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.905
5.182
1.831
H(70)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.503
4.762
-0.044
H(71)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.403
4.847
3.014
H(72)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.205
2.198
1.577
H(73)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.483
2.755
4.339
H(74)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.720
2.582
4.201
H(75)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.759
6.367
-0.121
H(76)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.793
6.577
0.973
H(77)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.872
0.645
4.604
H(78)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.279
4.202
3.699
H(79)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.091
4.290
3.354
H(80)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.587
4.235
0.314
H(81)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.771
2.083
2.237
H(82)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.161
2.227
0.602
H(83)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.119
0.018
2.545
H(84)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.122
-0.120
0.740
H(85)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.221
6.233
2.241
H(86)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.772
4.232
0.276
H(87)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.120
0.322
2.405
H(88)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.668
1.847
1.056
H(89)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.868
1.196
-0.899
H(90)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.221
-0.033
-1.867
H(91)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.881
-1.428
-1.199
H(92)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.184
-1.963
0.986
H(93)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.527
0.042
0.901
H(94)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.600
-1.732
1.191
H(95)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.913
2.241
-2.636
H(96)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.533
-0.838
-3.492
H(97)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.534
-0.665
3.113
H(98)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.781
-3.450
-1.852
H(99)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.612
-5.384
-2.848
H(100)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.069
-3.691
-2.487
H(101)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.854
-6.341
-1.196
H(102)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.832
-3.705
0.369
H(103)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.162
-6.427
0.999
H(104)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.505
-6.044
1.567
H(105)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.721
-4.198
-4.604
H(106)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.142
-5.529
-3.301
H(107)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.076
-5.462
3.056
H(108)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.957
-4.622
1.060
H(109)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.275
-4.573
1.423
H(110)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.044
-5.030
-1.524
H(111)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.807
-2.534
0.267
H(112)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.353
-3.601
-2.259
H(113)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.053
-0.774
-1.081
H(114)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.804
-1.179
-2.688
H(115)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.019
-6.577
0.810
H(116)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.990
-4.295
-0.604
H(117)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.353
-0.617
-2.832
H(118)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.441
-0.730
-0.403
H(119)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.538
-1.338
0.554
H(120)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-5.686
0.618
-1.538
H(67)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.295
1.066
0.334
H(122)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.607
1.702
-2.659
H(123)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.114
1.336
-2.704
H(124)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.129
1.153
-0.908
H(125)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.338
-1.789
-0.711
H(126)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.600
1.365
0.248
H(127)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.663
3.249
-1.694
O(1)-C(2)
-4.178
2.763
-0.429
-4.690
3.290
0.790
O(1)-C(60)
-4.178
2.763
-0.429
-3.917
1.368
-0.531
C(2)-C(3)
-4.690
3.290
0.790
-4.434
4.777
0.904
C(2)-O(8)
-4.690
3.290
0.790
-4.174
2.664
1.948
C(2)-H(68)
-4.690
3.290
0.790
-5.793
3.125
0.794
C(3)-C(4)
-4.434
4.777
0.904
-2.945
5.036
0.940
C(3)-O(9)
-4.434
4.777
0.904
-5.024
5.465
-0.199
C(3)-H(69)
-4.434
4.777
0.904
-4.905
5.182
1.831
C(4)-C(5)
-2.945
5.036
0.940
-2.253
4.274
2.070
C(4)-O(10)
-2.945
5.036
0.940
-2.717
6.438
1.100
C(4)-H(70)
-2.945
5.036
0.940
-2.503
4.762
-0.044
C(5)-C(6)
-2.253
4.274
2.070
-2.795
2.851
2.254
C(5)-O(12)
-2.253
4.274
2.070
-0.864
4.296
1.710
C(5)-H(71)
-2.253
4.274
2.070
-2.403
4.847
3.014
C(6)-C(7)
-2.795
2.851
2.254
-2.676
2.337
3.693
C(6)-O(8)
-2.795
2.851
2.254
-4.174
2.664
1.948
C(6)-H(72)
-2.795
2.851
2.254
-2.205
2.198
1.577
C(7)-O(11)
-2.676
2.337
3.693
-2.797
0.913
3.704
C(7)-H(73)
-2.676
2.337
3.693
-3.483
2.755
4.339
C(7)-H(74)
-2.676
2.337
3.693
-1.720
2.582
4.201
O(9)-H(75)
-5.024
5.465
-0.199
-4.759
6.367
-0.121
O(10)-H(76)
-2.717
6.438
1.100
-1.793
6.577
0.973
O(11)-H(77)
-2.797
0.913
3.704
-2.872
0.645
4.604
O(12)-C(13)
-0.864
4.296
1.710
0.077
3.880
2.693
C(13)-C(14)
0.077
3.880
2.693
1.449
4.487
2.463
C(13)-O(19)
0.077
3.880
2.693
0.164
2.458
2.664
C(13)-H(78)
0.077
3.880
2.693
-0.279
4.202
3.699
C(14)-C(15)
1.449
4.487
2.463
2.132
3.922
1.235
C(14)-O(20)
1.449
4.487
2.463
1.342
5.907
2.342
C(14)-H(79)
1.449
4.487
2.463
2.091
4.290
3.354
C(15)-C(16)
2.132
3.922
1.235
2.188
2.402
1.341
C(15)-O(21)
2.132
3.922
1.235
3.457
4.446
1.140
C(15)-H(80)
2.132
3.922
1.235
1.587
4.235
0.314
C(16)-C(17)
2.188
2.402
1.341
0.750
1.907
1.492
C(16)-O(23)
2.188
2.402
1.341
2.773
1.901
0.142
C(16)-H(81)
2.188
2.402
1.341
2.771
2.083
2.237
C(17)-C(18)
0.750
1.907
1.492
0.648
0.389
1.607
C(17)-O(19)
0.750
1.907
1.492
0.164
2.458
2.664
C(17)-H(82)
0.750
1.907
1.492
0.161
2.227
0.602
C(18)-O(22)
0.648
0.389
1.607
-0.726
-0.006
1.613
C(18)-H(83)
0.648
0.389
1.607
1.119
0.018
2.545
C(18)-H(84)
0.648
0.389
1.607
1.122
-0.120
0.740
O(20)-H(85)
1.342
5.907
2.342
2.221
6.233
2.241
O(21)-H(86)
3.457
4.446
1.140
3.772
4.232
0.276
O(22)-H(87)
-0.726
-0.006
1.613
-1.120
0.322
2.405
O(23)-C(24)
2.773
1.901
0.142
4.052
1.284
0.316
C(24)-C(25)
4.052
1.284
0.316
4.761
1.208
-1.025
C(24)-O(30)
4.052
1.284
0.316
3.704
-0.008
0.811
C(24)-H(88)
4.052
1.284
0.316
4.668
1.847
1.056
C(25)-C(26)
4.761
1.208
-1.025
4.330
-0.043
-1.752
C(25)-O(31)
4.761
1.208
-1.025
4.467
2.363
-1.814
C(25)-H(89)
4.761
1.208
-1.025
5.868
1.196
-0.899
C(26)-C(27)
4.330
-0.043
-1.752
4.803
-1.268
-0.972
C(26)-O(32)
4.330
-0.043
-1.752
4.889
-0.075
-3.066
C(26)-H(90)
4.330
-0.043
-1.752
3.221
-0.033
-1.867
C(27)-C(28)
4.803
-1.268
-0.972
4.633
-1.046
0.537
C(27)-O(34)
4.803
-1.268
-0.972
4.030
-2.357
-1.467
C(27)-H(91)
4.803
-1.268
-0.972
5.881
-1.428
-1.199
C(28)-C(29)
4.633
-1.046
0.537
5.950
-0.831
1.276
C(28)-O(30)
4.633
-1.046
0.537
3.704
-0.008
0.811
C(28)-H(92)
4.633
-1.046
0.537
4.184
-1.963
0.986
C(29)-O(33)
5.950
-0.831
1.276
5.704
-0.619
2.668
C(29)-H(93)
5.950
-0.831
1.276
6.527
0.042
0.901
C(29)-H(94)
5.950
-0.831
1.276
6.600
-1.732
1.191
O(31)-H(95)
4.467
2.363
-1.814
4.913
2.241
-2.636
O(32)-H(96)
4.889
-0.075
-3.066
4.533
-0.838
-3.492
O(33)-H(97)
5.704
-0.619
2.668
6.534
-0.665
3.113
O(34)-C(35)
4.030
-2.357
-1.467
4.702
-3.602
-1.615
C(35)-C(36)
4.702
-3.602
-1.615
4.080
-4.410
-2.732
C(35)-O(41)
4.702
-3.602
-1.615
4.615
-4.331
-0.401
C(35)-H(98)
4.702
-3.602
-1.615
5.781
-3.450
-1.852
C(36)-C(37)
4.080
-4.410
-2.732
2.618
-4.652
-2.440
C(36)-O(42)
4.080
-4.410
-2.732
4.216
-3.707
-3.970
C(36)-H(99)
4.080
-4.410
-2.732
4.612
-5.384
-2.848
C(37)-C(38)
2.618
-4.652
-2.440
2.448
-5.308
-1.077
C(37)-O(43)
2.618
-4.652
-2.440
2.070
-5.488
-3.460
C(37)-H(100)
2.618
-4.652
-2.440
2.069
-3.691
-2.487
C(38)-C(39)
2.448
-5.308
-1.077
3.294
-4.657
0.029
C(38)-O(45)
2.448
-5.308
-1.077
1.046
-5.479
-0.817
C(38)-H(101)
2.448
-5.308
-1.077
2.854
-6.341
-1.196
C(39)-C(40)
3.294
-4.657
0.029
3.462
-5.591
1.228
C(39)-O(41)
3.294
-4.657
0.029
4.615
-4.331
-0.401
C(39)-H(102)
3.294
-4.657
0.029
2.832
-3.705
0.369
C(40)-O(44)
3.462
-5.591
1.228
4.000
-4.861
2.333
C(40)-H(103)
3.462
-5.591
1.228
4.162
-6.427
0.999
C(40)-H(104)
3.462
-5.591
1.228
2.505
-6.044
1.567
O(42)-H(105)
4.216
-3.707
-3.970
3.721
-4.198
-4.604
O(43)-H(106)
2.070
-5.488
-3.460
1.142
-5.529
-3.301
O(44)-H(107)
4.000
-4.861
2.333
4.076
-5.462
3.056
O(45)-C(46)
1.046
-5.479
-0.817
0.413
-4.584
0.091
C(46)-C(47)
0.413
-4.584
0.091
-1.022
-4.984
0.416
C(46)-O(52)
0.413
-4.584
0.091
0.537
-3.262
-0.417
C(46)-H(108)
0.413
-4.584
0.091
0.957
-4.622
1.060
C(47)-C(48)
-1.022
-4.984
0.416
-2.071
-4.475
-0.557
C(47)-O(53)
-1.022
-4.984
0.416
-1.135
-6.402
0.535
C(47)-H(109)
-1.022
-4.984
0.416
-1.275
-4.573
1.423
C(48)-C(49)
-2.071
-4.475
-0.557
-1.811
-2.990
-0.751
C(48)-O(54)
-2.071
-4.475
-0.557
-3.371
-4.659
0.008
C(48)-H(110)
-2.071
-4.475
-0.557
-2.044
-5.030
-1.524
C(49)-C(50)
-1.811
-2.990
-0.751
-0.428
-2.899
-1.394
C(49)-O(56)
-1.811
-2.990
-0.751
-2.849
-2.411
-1.540
C(49)-H(111)
-1.811
-2.990
-0.751
-1.807
-2.534
0.267
C(50)-C(51)
-0.428
-2.899
-1.394
-0.083
-1.511
-1.910
C(50)-O(52)
-0.428
-2.899
-1.394
0.537
-3.262
-0.417
C(50)-H(112)
-0.428
-2.899
-1.394
-0.353
-3.601
-2.259
C(51)-O(55)
-0.083
-1.511
-1.910
1.195
-1.499
-2.543
C(51)-H(113)
-0.083
-1.511
-1.910
-0.053
-0.774
-1.081
C(51)-H(114)
-0.083
-1.511
-1.910
-0.804
-1.179
-2.688
O(53)-H(115)
-1.135
-6.402
0.535
-2.019
-6.577
0.810
O(54)-H(116)
-3.371
-4.659
0.008
-3.990
-4.295
-0.604
O(55)-H(117)
1.195
-1.499
-2.543
1.353
-0.617
-2.832
O(56)-C(57)
-2.849
-2.411
-1.540
-3.211
-1.094
-1.117
C(57)-C(58)
-3.211
-1.094
-1.117
-4.599
-1.002
-0.507
C(57)-O(63)
-3.211
-1.094
-1.117
-3.150
-0.232
-2.240
C(57)-H(118)
-3.211
-1.094
-1.117
-2.441
-0.730
-0.403
C(58)-C(59)
-4.599
-1.002
-0.507
-5.125
0.437
-0.591
C(58)-O(64)
-4.599
-1.002
-0.507
-5.517
-1.876
-1.166
C(58)-H(119)
-4.599
-1.002
-0.507
-4.538
-1.338
0.554
C(59)-C(60)
-5.125
0.437
-0.591
-3.917
1.368
-0.531
C(59)-O(65)
-5.125
0.437
-0.591
-6.051
0.634
0.475
C(59)-H(120)
-5.125
0.437
-0.591
-5.686
0.618
-1.538
C(60)-C(61)
-3.917
1.368
-0.531
-3.114
1.138
-1.830
C(60)-H(67)
-3.917
1.368
-0.531
-3.295
1.066
0.334
C(61)-C(62)
-3.114
1.138
-1.830
-1.663
1.601
-1.771
C(61)-O(63)
-3.114
1.138
-1.830
-3.150
-0.232
-2.240
C(61)-H(122)
-3.114
1.138
-1.830
-3.607
1.702
-2.659
C(62)-O(66)
-1.663
1.601
-1.771
-1.574
3.018
-1.635
C(62)-H(123)
-1.663
1.601
-1.771
-1.114
1.336
-2.704
C(62)-H(124)
-1.663
1.601
-1.771
-1.129
1.153
-0.908
O(64)-H(125)
-5.517
-1.876
-1.166
-6.338
-1.789
-0.711
O(65)-H(126)
-6.051
0.634
0.475
-6.600
1.365
0.248
O(66)-H(127)
-1.574
3.018
-1.635
-0.663
3.249
-1.694
