Atom Number
C1
−0.01776
0.011441
0.07251
−0.0035
0.002274
0.014418
−0.032
0.0207
0.1312
C2
0.032434
0.026946
−0.0414
0.00644
0.005357
−0.00824
0.0586
0.0487
−0.075
C3
−0.01825
0.484883
−0.1591
−0.0036
0.09641
−0.03163
−0.033
0.8775
−0.287
C4
0.028453
−0.02433
−0.2354
0.00565
−0.00483
−0.04681
0.0514
−0.044
−0.426
C5
−0.01811
0.091076
0.06466
−0.0036
0.01810
0.01285
−0.032
0.1648
0.1170
N6
0.287293
0.428028
−0.5354
0.05712
0.08510
−0.10646
0.5199
0.7746
−0.968
C7
−0.03006
−0.00660
−0.1045
−0.0059
−0.00131
−0.02079
−0.054
−0.011
−0.189
H8
0.004645
−0.00414
0.23298
0.00092
−0.00082
0.04632
0.0084
−0.007
0.4216
H9
0.002456
−0.02694
0.19943
0.00048
−0.00535
0.03965
0.0044
−0.048
0.3609
H10
0.003318
−0.00160
0.18764
0.00065
−0.00031
0.037310
0.0060
−0.002
0.3395
H11
0.005871
−0.00876
0.21071
0.00116
−0.00174
0.04189
0.0106
−0.015
0.3813
H12
0.014426
0.006525
0.22819
0.00286
0.001297
0.04537
0.0261
0.0118
0.4129
N13
0.574047
0.001451
−0.4785
0.11414
0.000288
−0.09514
1.0388
0.0026
−0.865
C14
0.071002
0.001881
−0.3822
0.01411
0.00374
−0.07599
0.1284
0.0034
−0.691
C15
0.04187
−0.00033
−0.3988
0.00832
−0.00006
−0.07931
0.0757
−0.005
−0.721
C16
−0.02738
0.002620
−0.2259
−0.0054
0.00052
−0.04492
−0.049
0.0047
−0.408
C17
−0.02501
0.00575
−0.4128
−0.0049
0.00114
−0.08208
−0.045
0.0104
−0.747
H18
0.000342
0.00181
0.19232
−0.0006
0.00035
0.038240
0.0006
0.0032
0.3480
H19
−0.00300
−0.00019
0.20087
−0.0005
−0.00003
0.03994
−0.005
−0.003
0.3635
H20
−0.00101
0.00081
0.19538
−0.00020
−0.00016
0.03884
−0.001
−0.001
0.3535
H21
−0.00149
0.000067
0.19734
−0.00029
0.00001
0.03923
−0.002
0.0001
0.3571
H22
0.014494
0.00048
0.20524
−0.00028
0.00009
0.04080
0.0262
0.0008
0.3714
H23
0.000293
−0.00003
0.19479
−0.00005
−0.00005
0.03873
0.0005
−0.005
0.3525
H24
0.048812
−0.00050
0.17199
0.00970
−0.00009
0.03419
0.0883
0.0009
0.3112
H25
0.004551
0.00656
0.2200
0.00090
0.001304
0.043744
0.0082
0.0118
0.3981
H26
0.007791
0.002097
0.2004
0.00154
0.000416
0.03984
0.0140
0.0037
0.3626