2107
Cyl
147
154
0.309803932905197
0
0
C(1)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.964
0.938
0.706
C(2)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-6.329
2.127
-0.181
C(3)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.091
2.992
-0.448
C(4)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.439
3.372
0.885
C(5)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.103
2.120
1.692
C(6)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.653
2.498
3.109
C(7)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.474
-3.959
-0.751
C(8)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.311
-3.203
-1.720
C(9)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.166
-1.688
-1.545
C(10)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-5.362
-1.314
-0.136
C(11)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.396
-2.098
0.752
C(12)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-4.448
-1.829
2.257
C(13)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
0.302
-6.079
-1.511
C(14)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.477
-5.811
-2.782
C(15)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.433
-4.641
-2.531
C(16)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.308
-4.983
-1.352
C(17)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.490
-5.332
-0.101
C(18)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.312
-5.876
1.000
C(19)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.852
-3.678
-0.191
C(20)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.761
-4.434
-1.535
C(21)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.300
-4.490
-1.953
C(22)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.471
-5.114
-0.856
C(23)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.702
-4.393
0.471
C(24)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.045
-5.177
1.647
C(25)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
5.610
1.572
0.199
C(26)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
6.042
0.870
-1.089
C(27)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
5.183
-0.348
-1.358
C(28)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
5.237
-1.273
-0.165
C(29)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.792
-0.507
1.069
C(30)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.870
-1.337
2.372
C(31)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
2.194
5.608
0.679
C(32)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.096
5.544
-0.558
C(33)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.431
4.093
-0.874
C(34)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
4.070
3.454
0.339
C(35)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.122
3.555
1.540
C(36)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
3.716
3.036
2.838
C(37)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-3.085
5.378
0.990
C(38)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-2.493
6.195
-0.166
C(39)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-1.094
5.682
-0.516
C(40)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.230
5.686
0.730
C(41)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.881
4.951
1.899
C(42)
1.46200001239777
0.487333327531815
0.310000002384186
0.180000007152557
0.0350000001490116
-0.163
5.184
3.219
O(43)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-6.891
1.652
-1.405
O(44)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.481
4.196
-1.117
O(45)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.215
4.043
0.533
O(46)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.352
1.382
1.897
O(47)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.224
1.334
3.765
O(48)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-4.938
-3.594
-3.057
O(49)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-6.130
-1.022
-2.412
O(50)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.071
0.104
-0.029
O(51)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-4.752
-3.496
0.524
O(53)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-5.537
-1.901
3.018
O(54)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.405
-5.522
-3.875
O(55)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.273
-4.432
-3.676
O(56)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.093
-3.781
-1.098
O(57)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.555
-6.387
-0.447
O(58)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.022
-6.956
0.568
O(59)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
5.534
-3.772
-2.533
O(60)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
3.158
-5.242
-3.170
O(61)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
1.088
-4.932
-1.233
O(62)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.087
-4.334
0.771
O(63)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.173
-4.454
2.845
O(64)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
5.982
1.814
-2.184
O(65)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
5.652
-1.005
-2.535
O(66)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.363
-2.356
-0.411
O(67)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
5.630
0.645
1.281
O(68)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
6.106
-1.955
2.553
O(69)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.381
6.185
-1.648
O(70)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.346
4.057
-1.988
O(71)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.296
2.075
0.013
O(72)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
2.847
4.963
1.769
O(73)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
4.928
3.687
3.196
O(74)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-3.355
6.120
-1.319
O(75)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.498
6.527
-1.519
O(76)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
0.963
4.990
0.384
O(77)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-2.240
5.464
2.113
O(78)
1.33299994468689
0.44433331489563
0.800000011920929
0.200000002980232
0.200000002980232
-0.142
6.581
3.514
H(79)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.888
0.403
1.003
H(80)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-7.105
2.740
0.325
H(81)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.365
2.418
-1.063
H(82)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-5.137
4.010
1.468
H(83)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.289
1.561
1.183
H(84)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.523
2.884
3.682
H(85)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.773
3.173
3.049
H(86)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.762
-5.029
-0.772
H(87)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.376
-3.490
-1.589
H(88)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.152
-1.374
-1.872
H(89)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.407
-1.542
0.164
H(90)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.354
-1.922
0.409
H(52)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.972
-0.849
2.474
H(147)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.663
-2.427
2.766
H(91)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.956
-6.962
-1.659
H(92)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.063
-6.716
-3.052
H(93)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.846
-3.727
-2.302
H(94)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.964
-5.840
-1.616
H(95)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.953
-4.426
0.253
H(96)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.054
-5.113
1.319
H(97)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.647
-6.236
1.814
H(98)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.901
-3.694
0.170
H(99)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.147
-5.468
-1.403
H(100)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.934
-3.460
-2.152
H(101)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.749
-6.184
-0.747
H(102)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.264
-3.373
0.417
H(103)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.581
-6.138
1.796
H(104)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.956
-5.286
1.456
H(105)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.342
2.367
0.448
H(106)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
7.105
0.559
-1.002
H(107)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.133
-0.027
-1.529
H(108)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.279
-1.630
-0.023
H(109)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.752
-0.145
0.923
H(110)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.110
-2.147
2.340
H(111)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.716
-0.668
3.246
H(112)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.050
6.666
0.975
H(113)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.035
6.104
-0.360
H(114)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.499
3.547
-1.131
H(115)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.021
3.978
0.574
H(116)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.184
3.003
1.316
H(117)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.954
1.956
2.729
H(118)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
3.000
3.214
3.668
H(119)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.109
5.741
1.211
H(120)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.431
7.264
0.131
H(121)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-1.169
4.646
-0.911
H(122)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.015
6.734
1.027
H(123)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.908
3.862
1.681
H(124)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.896
4.862
3.126
H(125)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.730
4.693
4.039
H(126)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-7.102
2.411
-1.922
H(127)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-4.696
4.695
-1.261
H(128)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.953
1.591
4.630
H(129)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-5.482
-3.102
-3.648
H(130)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-6.019
-0.095
-2.284
H(131)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-5.264
-1.679
3.924
H(132)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-0.136
-5.366
-4.630
H(133)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.838
-3.707
-3.472
H(134)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-3.526
-7.264
1.302
H(135)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.443
-4.272
-3.326
H(136)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.240
-5.246
-3.383
H(137)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
1.762
-4.967
3.520
H(138)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.252
1.352
-2.959
H(139)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.096
-1.753
-2.671
H(140)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
6.057
-2.432
3.364
H(141)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
2.940
6.143
-2.405
H(142)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
4.534
3.150
-2.159
H(143)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
5.216
3.301
4.006
H(144)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
-2.951
6.634
-1.997
H(145)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.356
6.175
-1.702
H(146)
0.777999997138977
0.259333342313766
0.300000011920929
0.800000011920929
0.800000011920929
0.309
6.681
4.335
C(1)-C(2)
-5.964
0.938
0.706
-6.329
2.127
-0.181
C(1)-O(46)
-5.964
0.938
0.706
-5.352
1.382
1.897
C(1)-O(50)
-5.964
0.938
0.706
-5.071
0.104
-0.029
C(1)-H(79)
-5.964
0.938
0.706
-6.888
0.403
1.003
C(2)-C(3)
-6.329
2.127
-0.181
-5.091
2.992
-0.448
C(2)-O(43)
-6.329
2.127
-0.181
-6.891
1.652
-1.405
C(2)-H(80)
-6.329
2.127
-0.181
-7.105
2.740
0.325
C(3)-C(4)
-5.091
2.992
-0.448
-4.439
3.372
0.885
C(3)-O(44)
-5.091
2.992
-0.448
-5.481
4.196
-1.117
C(3)-H(81)
-5.091
2.992
-0.448
-4.365
2.418
-1.063
C(4)-C(5)
-4.439
3.372
0.885
-4.103
2.120
1.692
C(4)-O(45)
-4.439
3.372
0.885
-3.215
4.043
0.533
C(4)-H(82)
-4.439
3.372
0.885
-5.137
4.010
1.468
C(5)-C(6)
-4.103
2.120
1.692
-3.653
2.498
3.109
C(5)-O(46)
-4.103
2.120
1.692
-5.352
1.382
1.897
C(5)-H(83)
-4.103
2.120
1.692
-3.289
1.561
1.183
C(6)-O(47)
-3.653
2.498
3.109
-3.224
1.334
3.765
C(6)-H(84)
-3.653
2.498
3.109
-4.523
2.884
3.682
C(6)-H(85)
-3.653
2.498
3.109
-2.773
3.173
3.049
C(7)-C(8)
-4.474
-3.959
-0.751
-5.311
-3.203
-1.720
C(7)-O(51)
-4.474
-3.959
-0.751
-4.752
-3.496
0.524
C(7)-O(56)
-4.474
-3.959
-0.751
-3.093
-3.781
-1.098
C(7)-H(86)
-4.474
-3.959
-0.751
-4.762
-5.029
-0.772
C(8)-C(9)
-5.311
-3.203
-1.720
-5.166
-1.688
-1.545
C(8)-O(48)
-5.311
-3.203
-1.720
-4.938
-3.594
-3.057
C(8)-H(87)
-5.311
-3.203
-1.720
-6.376
-3.490
-1.589
C(9)-C(10)
-5.166
-1.688
-1.545
-5.362
-1.314
-0.136
C(9)-O(49)
-5.166
-1.688
-1.545
-6.130
-1.022
-2.412
C(9)-H(88)
-5.166
-1.688
-1.545
-4.152
-1.374
-1.872
C(10)-C(11)
-5.362
-1.314
-0.136
-4.396
-2.098
0.752
C(10)-O(50)
-5.362
-1.314
-0.136
-5.071
0.104
-0.029
C(10)-H(89)
-5.362
-1.314
-0.136
-6.407
-1.542
0.164
C(11)-C(12)
-4.396
-2.098
0.752
-4.448
-1.829
2.257
C(11)-O(51)
-4.396
-2.098
0.752
-4.752
-3.496
0.524
C(11)-H(90)
-4.396
-2.098
0.752
-3.354
-1.922
0.409
C(12)-O(53)
-4.448
-1.829
2.257
-5.537
-1.901
3.018
C(12)-H(52)
-4.448
-1.829
2.257
-3.972
-0.849
2.474
C(12)-H(147)
-4.448
-1.829
2.257
-3.663
-2.427
2.766
C(13)-C(14)
0.302
-6.079
-1.511
-0.477
-5.811
-2.782
C(13)-O(57)
0.302
-6.079
-1.511
-0.555
-6.387
-0.447
C(13)-O(61)
0.302
-6.079
-1.511
1.088
-4.932
-1.233
C(13)-H(91)
0.302
-6.079
-1.511
0.956
-6.962
-1.659
C(14)-C(15)
-0.477
-5.811
-2.782
-1.433
-4.641
-2.531
C(14)-O(54)
-0.477
-5.811
-2.782
0.405
-5.522
-3.875
C(14)-H(92)
-0.477
-5.811
-2.782
-1.063
-6.716
-3.052
C(15)-C(16)
-1.433
-4.641
-2.531
-2.308
-4.983
-1.352
C(15)-O(55)
-1.433
-4.641
-2.531
-2.273
-4.432
-3.676
C(15)-H(93)
-1.433
-4.641
-2.531
-0.846
-3.727
-2.302
C(16)-C(17)
-2.308
-4.983
-1.352
-1.490
-5.332
-0.101
C(16)-O(56)
-2.308
-4.983
-1.352
-3.093
-3.781
-1.098
C(16)-H(94)
-2.308
-4.983
-1.352
-2.964
-5.840
-1.616
C(17)-C(18)
-1.490
-5.332
-0.101
-2.312
-5.876
1.000
C(17)-O(57)
-1.490
-5.332
-0.101
-0.555
-6.387
-0.447
C(17)-H(95)
-1.490
-5.332
-0.101
-0.953
-4.426
0.253
C(18)-O(58)
-2.312
-5.876
1.000
-3.022
-6.956
0.568
C(18)-H(96)
-2.312
-5.876
1.000
-3.054
-5.113
1.319
C(18)-H(97)
-2.312
-5.876
1.000
-1.647
-6.236
1.814
C(19)-C(20)
4.852
-3.678
-0.191
4.761
-4.434
-1.535
C(19)-O(62)
4.852
-3.678
-0.191
4.087
-4.334
0.771
C(19)-O(66)
4.852
-3.678
-0.191
4.363
-2.356
-0.411
C(19)-H(98)
4.852
-3.678
-0.191
5.901
-3.694
0.170
C(20)-C(21)
4.761
-4.434
-1.535
3.300
-4.490
-1.953
C(20)-O(59)
4.761
-4.434
-1.535
5.534
-3.772
-2.533
C(20)-H(99)
4.761
-4.434
-1.535
5.147
-5.468
-1.403
C(21)-C(22)
3.300
-4.490
-1.953
2.471
-5.114
-0.856
C(21)-O(60)
3.300
-4.490
-1.953
3.158
-5.242
-3.170
C(21)-H(100)
3.300
-4.490
-1.953
2.934
-3.460
-2.152
C(22)-C(23)
2.471
-5.114
-0.856
2.702
-4.393
0.471
C(22)-O(61)
2.471
-5.114
-0.856
1.088
-4.932
-1.233
C(22)-H(101)
2.471
-5.114
-0.856
2.749
-6.184
-0.747
C(23)-C(24)
2.702
-4.393
0.471
2.045
-5.177
1.647
C(23)-O(62)
2.702
-4.393
0.471
4.087
-4.334
0.771
C(23)-H(102)
2.702
-4.393
0.471
2.264
-3.373
0.417
C(24)-O(63)
2.045
-5.177
1.647
2.173
-4.454
2.845
C(24)-H(103)
2.045
-5.177
1.647
2.581
-6.138
1.796
C(24)-H(104)
2.045
-5.177
1.647
0.956
-5.286
1.456
C(25)-C(26)
5.610
1.572
0.199
6.042
0.870
-1.089
C(25)-O(67)
5.610
1.572
0.199
5.630
0.645
1.281
C(25)-O(71)
5.610
1.572
0.199
4.296
2.075
0.013
C(25)-H(105)
5.610
1.572
0.199
6.342
2.367
0.448
C(26)-C(27)
6.042
0.870
-1.089
5.183
-0.348
-1.358
C(26)-O(64)
6.042
0.870
-1.089
5.982
1.814
-2.184
C(26)-H(106)
6.042
0.870
-1.089
7.105
0.559
-1.002
C(27)-C(28)
5.183
-0.348
-1.358
5.237
-1.273
-0.165
C(27)-O(65)
5.183
-0.348
-1.358
5.652
-1.005
-2.535
C(27)-H(107)
5.183
-0.348
-1.358
4.133
-0.027
-1.529
C(28)-C(29)
5.237
-1.273
-0.165
4.792
-0.507
1.069
C(28)-O(66)
5.237
-1.273
-0.165
4.363
-2.356
-0.411
C(28)-H(108)
5.237
-1.273
-0.165
6.279
-1.630
-0.023
C(29)-C(30)
4.792
-0.507
1.069
4.870
-1.337
2.372
C(29)-O(67)
4.792
-0.507
1.069
5.630
0.645
1.281
C(29)-H(109)
4.792
-0.507
1.069
3.752
-0.145
0.923
C(30)-O(68)
4.870
-1.337
2.372
6.106
-1.955
2.553
C(30)-H(110)
4.870
-1.337
2.372
4.110
-2.147
2.340
C(30)-H(111)
4.870
-1.337
2.372
4.716
-0.668
3.246
C(31)-C(32)
2.194
5.608
0.679
3.096
5.544
-0.558
C(31)-O(72)
2.194
5.608
0.679
2.847
4.963
1.769
C(31)-O(76)
2.194
5.608
0.679
0.963
4.990
0.384
C(31)-H(112)
2.194
5.608
0.679
2.050
6.666
0.975
C(32)-C(33)
3.096
5.544
-0.558
3.431
4.093
-0.874
C(32)-O(69)
3.096
5.544
-0.558
2.381
6.185
-1.648
C(32)-H(113)
3.096
5.544
-0.558
4.035
6.104
-0.360
C(33)-C(34)
3.431
4.093
-0.874
4.070
3.454
0.339
C(33)-O(70)
3.431
4.093
-0.874
4.346
4.057
-1.988
C(33)-H(114)
3.431
4.093
-0.874
2.499
3.547
-1.131
C(34)-C(35)
4.070
3.454
0.339
3.122
3.555
1.540
C(34)-O(71)
4.070
3.454
0.339
4.296
2.075
0.013
C(34)-H(115)
4.070
3.454
0.339
5.021
3.978
0.574
C(35)-C(36)
3.122
3.555
1.540
3.716
3.036
2.838
C(35)-O(72)
3.122
3.555
1.540
2.847
4.963
1.769
C(35)-H(116)
3.122
3.555
1.540
2.184
3.003
1.316
C(36)-O(73)
3.716
3.036
2.838
4.928
3.687
3.196
C(36)-H(117)
3.716
3.036
2.838
3.954
1.956
2.729
C(36)-H(118)
3.716
3.036
2.838
3.000
3.214
3.668
C(37)-C(38)
-3.085
5.378
0.990
-2.493
6.195
-0.166
C(37)-O(45)
-3.085
5.378
0.990
-3.215
4.043
0.533
C(37)-O(77)
-3.085
5.378
0.990
-2.240
5.464
2.113
C(37)-H(119)
-3.085
5.378
0.990
-4.109
5.741
1.211
C(38)-C(39)
-2.493
6.195
-0.166
-1.094
5.682
-0.516
C(38)-O(74)
-2.493
6.195
-0.166
-3.355
6.120
-1.319
C(38)-H(120)
-2.493
6.195
-0.166
-2.431
7.264
0.131
C(39)-C(40)
-1.094
5.682
-0.516
-0.230
5.686
0.730
C(39)-O(75)
-1.094
5.682
-0.516
-0.498
6.527
-1.519
C(39)-H(121)
-1.094
5.682
-0.516
-1.169
4.646
-0.911
C(40)-C(41)
-0.230
5.686
0.730
-0.881
4.951
1.899
C(40)-O(76)
-0.230
5.686
0.730
0.963
4.990
0.384
C(40)-H(122)
-0.230
5.686
0.730
-0.015
6.734
1.027
C(41)-C(42)
-0.881
4.951
1.899
-0.163
5.184
3.219
C(41)-O(77)
-0.881
4.951
1.899
-2.240
5.464
2.113
C(41)-H(123)
-0.881
4.951
1.899
-0.908
3.862
1.681
C(42)-O(78)
-0.163
5.184
3.219
-0.142
6.581
3.514
C(42)-H(124)
-0.163
5.184
3.219
0.896
4.862
3.126
C(42)-H(125)
-0.163
5.184
3.219
-0.730
4.693
4.039
O(43)-H(126)
-6.891
1.652
-1.405
-7.102
2.411
-1.922
O(44)-H(127)
-5.481
4.196
-1.117
-4.696
4.695
-1.261
O(47)-H(128)
-3.224
1.334
3.765
-2.953
1.591
4.630
O(48)-H(129)
-4.938
-3.594
-3.057
-5.482
-3.102
-3.648
O(49)-H(130)
-6.130
-1.022
-2.412
-6.019
-0.095
-2.284
O(53)-H(131)
-5.537
-1.901
3.018
-5.264
-1.679
3.924
O(54)-H(132)
0.405
-5.522
-3.875
-0.136
-5.366
-4.630
O(55)-H(133)
-2.273
-4.432
-3.676
-2.838
-3.707
-3.472
O(58)-H(134)
-3.022
-6.956
0.568
-3.526
-7.264
1.302
O(59)-H(135)
5.534
-3.772
-2.533
5.443
-4.272
-3.326
O(60)-H(136)
3.158
-5.242
-3.170
2.240
-5.246
-3.383
O(63)-H(137)
2.173
-4.454
2.845
1.762
-4.967
3.520
O(64)-H(138)
5.982
1.814
-2.184
6.252
1.352
-2.959
O(65)-H(139)
5.652
-1.005
-2.535
5.096
-1.753
-2.671
O(68)-H(140)
6.106
-1.955
2.553
6.057
-2.432
3.364
O(69)-H(141)
2.381
6.185
-1.648
2.940
6.143
-2.405
O(70)-H(142)
4.346
4.057
-1.988
4.534
3.150
-2.159
O(73)-H(143)
4.928
3.687
3.196
5.216
3.301
4.006
O(74)-H(144)
-3.355
6.120
-1.319
-2.951
6.634
-1.997
O(75)-H(145)
-0.498
6.527
-1.519
0.356
6.175
-1.702
O(78)-H(146)
-0.142
6.581
3.514
0.309
6.681
4.335
