WebMO Job Summary

776: 2CzIPN_C2_NBO, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) SCRF=(SMD,Solvent=Acetone)
Method B3LYP
Stoichiometry C32H18N4
Symmetry C2
Basis 6-311+G(2d,p)
RB3LYP Energy -1449.69265394 Hartree
Dipole Moment 5.1741 Debye
Server batch (140075)
CPU time 5810.2 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.1822257 0.00607839507
b 0.0718220 0.00239572404
c 0.0691877 0.00230785325

Partial Charges

Atom Symbol Charge
1 C -0.241634  
2 C 0.325800  
3 C 0.519043  
4 C -0.333840  
5 C 0.519043  
6 C 0.325800  
7 N 0.132533  
8 C 0.621025  
9 C -0.492052  
10 C -0.319063  
11 C -0.363022  
12 C -0.285011  
13 C 0.246753  
14 C 0.164202  
15 C 0.497693  
16 C -0.453787  
17 C -0.318841  
18 C -0.339083  
19 C -0.303759  
20 H 0.132560  
21 H 0.121657  
22 H 0.124348  
23 H 0.154128  
24 H 0.132650  
25 H 0.121601  
26 H 0.124959  
27 H 0.152894  
28 C -0.290923  
29 N -0.300985  
30 H 0.169738  
31 C -0.290923  
32 N -0.300985  
33 N 0.132533  
34 C 0.497693  
35 C -0.453787  
36 C -0.318841  
37 C -0.339083  
38 C -0.303759  
39 C 0.164202  
40 C 0.246753  
41 C 0.621025  
42 C -0.492052  
43 C -0.319063  
44 C -0.363022  
45 C -0.285011  
46 H 0.132650  
47 H 0.121601  
48 H 0.124959  
49 H 0.152894  
50 H 0.132560  
51 H 0.121657  
52 H 0.124348  
53 H 0.154128  
54 H 0.195096  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -14.37914
2 - 2 - -14.37914
3 - 2 - -14.33319
4 - 2 - -14.33318
5 - 2 - -10.26547
6 - 2 - -10.26546
7 - 2 - -10.24374
8 - 2 - -10.24374
9 - 2 - -10.23521
10 - 2 - -10.23521
11 - 2 - -10.22717
12 - 2 - -10.22234
13 - 2 - -10.22234
14 - 2 - -10.22198
15 - 2 - -10.22197
16 - 2 - -10.21048
17 - 2 - -10.18442
18 - 2 - -10.18442
19 - 2 - -10.18401
20 - 2 - -10.18401
21 - 2 - -10.17979
22 - 2 - -10.17979
23 - 2 - -10.17977
24 - 2 - -10.17977
25 - 2 - -10.17853
26 - 2 - -10.17853
27 - 2 - -10.17837
28 - 2 - -10.17837
29 - 2 - -10.17682
30 - 2 - -10.17682
31 - 2 - -10.17666
32 - 2 - -10.17666
33 - 2 - -10.1714
34 - 2 - -10.1714
35 - 2 - -10.17109
36 - 2 - -10.17109
37 - 2 - -1.01487
38 - 2 - -1.01081
39 - 2 - -0.94008
40 - 2 - -0.93561
41 - 2 - -0.91074
42 - 2 - -0.87343
43 - 2 - -0.85971
44 - 2 - -0.8589
45 - 2 - -0.85871
46 - 2 - -0.82078
47 - 2 - -0.81189
48 - 2 - -0.78553
49 - 2 - -0.78319
50 - 2 - -0.76235
51 - 2 - -0.76214
52 - 2 - -0.74714
53 - 2 - -0.73965
54 - 2 - -0.72808
55 - 2 - -0.72804
56 - 2 - -0.6878
57 - 2 - -0.68327
58 - 2 - -0.64984
59 - 2 - -0.64013
60 - 2 - -0.62184
61 - 2 - -0.6188
62 - 2 - -0.61363
63 - 2 - -0.6111
64 - 2 - -0.59294
65 - 2 - -0.58595
66 - 2 - -0.585
67 - 2 - -0.55525
68 - 2 - -0.54454
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70 - 2 - -0.52565
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721 - 0 - 2.76694
722 - 0 - 2.76704
723 - 0 - 2.76858
724 - 0 - 2.77688
725 - 0 - 2.77691
726 - 0 - 2.78018
727 - 0 - 2.79173
728 - 0 - 2.79227
729 - 0 - 2.79548
730 - 0 - 2.79842
731 - 0 - 2.80587
732 - 0 - 2.80594
733 - 0 - 2.82613
734 - 0 - 2.83173
735 - 0 - 2.83452
736 - 0 - 2.83871
737 - 0 - 2.84457
738 - 0 - 2.84661
739 - 0 - 2.85419
740 - 0 - 2.85702
741 - 0 - 2.86065
742 - 0 - 2.86836
743 - 0 - 2.87679
744 - 0 - 2.87988
745 - 0 - 2.88433
746 - 0 - 2.88886
747 - 0 - 2.89113
748 - 0 - 2.92609
749 - 0 - 2.928
750 - 0 - 2.93242
751 - 0 - 2.93451
752 - 0 - 2.938
753 - 0 - 2.93817
754 - 0 - 2.94318
755 - 0 - 2.95644
756 - 0 - 2.97688
757 - 0 - 2.98652
758 - 0 - 2.99469
759 - 0 - 2.9959
760 - 0 - 3.01334
761 - 0 - 3.02403
762 - 0 - 3.04278
763 - 0 - 3.06096
764 - 0 - 3.06998
765 - 0 - 3.07408
766 - 0 - 3.07547
767 - 0 - 3.09107
768 - 0 - 3.10653
769 - 0 - 3.10679
770 - 0 - 3.11026
771 - 0 - 3.11103
772 - 0 - 3.11608
773 - 0 - 3.12017
774 - 0 - 3.12153
775 - 0 - 3.1273
776 - 0 - 3.13374
777 - 0 - 3.13934
778 - 0 - 3.14834
779 - 0 - 3.15671
780 - 0 - 3.16722
781 - 0 - 3.16769
782 - 0 - 3.17524
783 - 0 - 3.17687
784 - 0 - 3.18141
785 - 0 - 3.18631
786 - 0 - 3.18832
787 - 0 - 3.18913
788 - 0 - 3.19729
789 - 0 - 3.20028
790 - 0 - 3.20623
791 - 0 - 3.20947
792 - 0 - 3.21606
793 - 0 - 3.22038
794 - 0 - 3.22146
795 - 0 - 3.23791
796 - 0 - 3.24272
797 - 0 - 3.24583
798 - 0 - 3.25807
799 - 0 - 3.27562
800 - 0 - 3.27869
801 - 0 - 3.29275
802 - 0 - 3.2937
803 - 0 - 3.29613
804 - 0 - 3.29994
805 - 0 - 3.30038
806 - 0 - 3.30173
807 - 0 - 3.3069
808 - 0 - 3.32351
809 - 0 - 3.32353
810 - 0 - 3.32985
811 - 0 - 3.33128
812 - 0 - 3.33273
813 - 0 - 3.33703
814 - 0 - 3.34108
815 - 0 - 3.34831
816 - 0 - 3.35136
817 - 0 - 3.35282
818 - 0 - 3.35491
819 - 0 - 3.36092
820 - 0 - 3.36373
821 - 0 - 3.36671
822 - 0 - 3.36883
823 - 0 - 3.37592
824 - 0 - 3.37834
825 - 0 - 3.37971
826 - 0 - 3.38913
827 - 0 - 3.38921
828 - 0 - 3.39948
829 - 0 - 3.40241
830 - 0 - 3.41033
831 - 0 - 3.41409
832 - 0 - 3.42358
833 - 0 - 3.42881
834 - 0 - 3.43172
835 - 0 - 3.44207
836 - 0 - 3.44497
837 - 0 - 3.45124
838 - 0 - 3.46027
839 - 0 - 3.47202
840 - 0 - 3.47636
841 - 0 - 3.48124
842 - 0 - 3.48166
843 - 0 - 3.4891
844 - 0 - 3.49201
845 - 0 - 3.49924
846 - 0 - 3.50402
847 - 0 - 3.50782
848 - 0 - 3.51352
849 - 0 - 3.52143
850 - 0 - 3.52382
851 - 0 - 3.52671
852 - 0 - 3.53142
853 - 0 - 3.54058
854 - 0 - 3.54432
855 - 0 - 3.55014
856 - 0 - 3.55097
857 - 0 - 3.55541
858 - 0 - 3.56314
859 - 0 - 3.56913
860 - 0 - 3.57192
861 - 0 - 3.57713
862 - 0 - 3.58145
863 - 0 - 3.58476
864 - 0 - 3.58531
865 - 0 - 3.58793
866 - 0 - 3.59155
867 - 0 - 3.59295
868 - 0 - 3.59625
869 - 0 - 3.59784
870 - 0 - 3.60925
871 - 0 - 3.61576
872 - 0 - 3.61598
873 - 0 - 3.61921
874 - 0 - 3.62197
875 - 0 - 3.62521
876 - 0 - 3.62585
877 - 0 - 3.63483
878 - 0 - 3.63579
879 - 0 - 3.64454
880 - 0 - 3.64607
881 - 0 - 3.6578
882 - 0 - 3.66069
883 - 0 - 3.66801
884 - 0 - 3.67195
885 - 0 - 3.67222
886 - 0 - 3.69115
887 - 0 - 3.6925
888 - 0 - 3.69831
889 - 0 - 3.70873
890 - 0 - 3.70967
891 - 0 - 3.72112
892 - 0 - 3.72566
893 - 0 - 3.73028
894 - 0 - 3.73274
895 - 0 - 3.73479
896 - 0 - 3.74138
897 - 0 - 3.75775
898 - 0 - 3.76565
899 - 0 - 3.77379
900 - 0 - 3.77513
901 - 0 - 3.7753
902 - 0 - 3.77862
903 - 0 - 3.77884
904 - 0 - 3.78235
905 - 0 - 3.78526
906 - 0 - 3.78923
907 - 0 - 3.79199
908 - 0 - 3.79296
909 - 0 - 3.7955
910 - 0 - 3.80219
911 - 0 - 3.80461
912 - 0 - 3.80667
913 - 0 - 3.80959
914 - 0 - 3.81764
915 - 0 - 3.82435
916 - 0 - 3.83301
917 - 0 - 3.83437
918 - 0 - 3.8434
919 - 0 - 3.84436
920 - 0 - 3.85503
921 - 0 - 3.8795
922 - 0 - 3.88656
923 - 0 - 3.88805
924 - 0 - 3.89055
925 - 0 - 3.89347
926 - 0 - 3.9061
927 - 0 - 3.90649
928 - 0 - 3.91205
929 - 0 - 3.92612
930 - 0 - 3.92715
931 - 0 - 3.94076
932 - 0 - 3.94653
933 - 0 - 3.95736
934 - 0 - 3.9699
935 - 0 - 3.97125
936 - 0 - 3.97267
937 - 0 - 3.97686
938 - 0 - 3.98908
939 - 0 - 3.99328
940 - 0 - 3.99816
941 - 0 - 4.01569
942 - 0 - 4.02143
943 - 0 - 4.02366
944 - 0 - 4.02595
945 - 0 - 4.04386
946 - 0 - 4.04562
947 - 0 - 4.04775
948 - 0 - 4.05703
949 - 0 - 4.05903
950 - 0 - 4.07647
951 - 0 - 4.08196
952 - 0 - 4.09871
953 - 0 - 4.10377
954 - 0 - 4.12082
955 - 0 - 4.12122
956 - 0 - 4.13305
957 - 0 - 4.13843
958 - 0 - 4.14274
959 - 0 - 4.1536
960 - 0 - 4.17283
961 - 0 - 4.20372
962 - 0 - 4.21498
963 - 0 - 4.22354
964 - 0 - 4.25626
965 - 0 - 4.269
966 - 0 - 4.31436
967 - 0 - 4.32493
968 - 0 - 4.35984
969 - 0 - 4.36593
970 - 0 - 4.37489
971 - 0 - 4.38787
972 - 0 - 4.40832
973 - 0 - 4.4154
974 - 0 - 4.4582
975 - 0 - 4.47595
976 - 0 - 4.47637
977 - 0 - 4.48529
978 - 0 - 4.50673
979 - 0 - 4.51004
980 - 0 - 4.5995
981 - 0 - 4.60402
982 - 0 - 4.6064
983 - 0 - 4.61563
984 - 0 - 4.62859
985 - 0 - 4.64584
986 - 0 - 4.6487
987 - 0 - 4.66877
988 - 0 - 4.75929
989 - 0 - 4.79195
990 - 0 - 4.79371
991 - 0 - 4.7946
992 - 0 - 4.79869
993 - 0 - 4.81032
994 - 0 - 4.81331
995 - 0 - 4.81927
996 - 0 - 4.8268
997 - 0 - 4.83507
998 - 0 - 4.84252
999 - 0 - 4.86648
1000 - 0 - 4.93996
1001 - 0 - 5.13007
1002 - 0 - 5.13537
1003 - 0 - 5.1507
1004 - 0 - 5.15959
1005 - 0 - 5.16025
1006 - 0 - 5.1639
1007 - 0 - 5.19078
1008 - 0 - 5.1969
1009 - 0 - 5.22614
1010 - 0 - 5.24757
1011 - 0 - 5.25601
1012 - 0 - 5.28518
1013 - 0 - 5.29582
1014 - 0 - 5.29807
1015 - 0 - 5.29926
1016 - 0 - 5.30137
1017 - 0 - 5.35755
1018 - 0 - 5.48632
1019 - 0 - 5.49557
1020 - 0 - 5.52288
1021 - 0 - 5.59251
1022 - 0 - 5.6913
1023 - 0 - 5.69669
1024 - 0 - 5.78127
1025 - 0 - 5.80189
1026 - 0 - 5.89444
1027 - 0 - 5.8951
1028 - 0 - 23.64222
1029 - 0 - 23.66847
1030 - 0 - 23.70911
1031 - 0 - 23.85912
1032 - 0 - 23.86871
1033 - 0 - 24.01709
1034 - 0 - 24.02014
1035 - 0 - 24.02199
1036 - 0 - 24.02574
1037 - 0 - 24.03668
1038 - 0 - 24.04098
1039 - 0 - 24.05784
1040 - 0 - 24.05814
1041 - 0 - 24.06418
1042 - 0 - 24.06526
1043 - 0 - 24.08074
1044 - 0 - 24.1014
1045 - 0 - 24.10721
1046 - 0 - 24.11009
1047 - 0 - 24.14055
1048 - 0 - 24.14784
1049 - 0 - 24.18383
1050 - 0 - 24.20985
1051 - 0 - 24.24891
1052 - 0 - 24.27477
1053 - 0 - 24.28095
1054 - 0 - 24.30263
1055 - 0 - 24.30553
1056 - 0 - 24.33287
1057 - 0 - 24.34224
1058 - 0 - 24.3757
1059 - 0 - 24.37599
1060 - 0 - 35.79476
1061 - 0 - 35.80191
1062 - 0 - 35.90031
1063 - 0 - 35.91692
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.23401  
2 C 0.24611  
3 C -0.18769  
4 C -0.06984  
5 C -0.23358  
6 C 0.38132  
7 N -0.53391  
8 C 0.31351  
9 C -0.29223  
10 C -0.20177  
11 C -0.23758  
12 C -0.18853  
13 C -0.13102  
14 C -0.15133  
15 C 0.31182  
16 C -0.28937  
17 C -0.23693  
18 C -0.18955  
19 C -0.15122  
20 H 0.22378  
21 H 0.21315  
22 H 0.22134  
23 H 0.23335  
24 H 0.22939  
25 H 0.22075  
26 H 0.22164  
27 H 0.23228  
28 C 0.33871  
29 N -0.37003  
30 H 0.26042  
31 C 0.33880  
32 N -0.36974  
33 N -0.50425  
34 C 0.31350  
35 C -0.28935  
36 C -0.23673  
37 C -0.18948  
38 C -0.15117  
39 C -0.15098  
40 C -0.13073  
41 C 0.31517  
42 C -0.29167  
43 C -0.20157  
44 C -0.23749  
45 C -0.18830  
46 H 0.22939  
47 H 0.22075  
48 H 0.22164  
49 H 0.23233  
50 H 0.22378  
51 H 0.21315  
52 H 0.22135  
53 H 0.23352  
54 H 0.26347  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999011705 - -10.057654839
2 C1 Val(2S) 0.948021009 - -0.115307478
3 C1 Ryd(3S) 0.006028023 - 2.415121949
4 C1 Ryd(4S) 0.000100360 - 18.171534351
5 C1 Val(2p) 0.974264876 - -0.136566445
6 C1 Ryd(3p) 0.001774742 - 0.663541321
7 C1 Ryd(4p) 0.001100066 - 1.208951537
8 C1 Ryd(5p) 0.000069509 - 2.990996457
9 C1 Val(2p) 1.065832479 - -0.088621622
10 C1 Ryd(3p) 0.007599614 - 1.295863283
11 C1 Ryd(4p) 0.001104832 - 1.830766463
12 C1 Ryd(5p) 0.000148658 - 3.794788769
13 C1 Val(2p) 1.211284991 - -0.093055127
14 C1 Ryd(4p) 0.010014512 - 1.339471927
15 C1 Ryd(3p) 0.000688668 - 1.014417634
16 C1 Ryd(5p) 0.000125100 - 3.893987285
17 C1 Ryd(3d) 0.000421479 - 1.323447864
18 C1 Ryd(4d) 0.000335083 - 3.486912933
19 C1 Ryd(3d) 0.000457268 - 1.034418147
20 C1 Ryd(4d) 0.000246394 - 3.429825558
21 C1 Ryd(3d) 0.001122256 - 2.364032608
22 C1 Ryd(4d) 0.000666646 - 3.820591865
23 C1 Ryd(3d) 0.001621409 - 2.421934361
24 C1 Ryd(4d) 0.000281537 - 3.654059771
25 C1 Ryd(3d) 0.001236418 - 1.807956966
26 C1 Ryd(4d) 0.000448781 - 3.776256866
27 C2 Cor(1S) 1.998918336 - -10.120754646
28 C2 Val(2S) 0.814403565 - -0.144094376
29 C2 Ryd(4S) 0.001330975 - 1.568720678
30 C2 Ryd(3S) 0.000562405 - 1.126070781
31 C2 Ryd(5S) 0.000058326 - 20.492629807
32 C2 Val(2p) 0.967718741 - -0.147907493
33 C2 Ryd(3p) 0.004256694 - 0.660335291
34 C2 Ryd(4p) 0.001292478 - 0.998616149
35 C2 Ryd(5p) 0.000350897 - 2.852087195
36 C2 Val(2p) 0.935660585 - -0.049448551
37 C2 Ryd(3p) 0.006969957 - 1.284181362
38 C2 Ryd(4p) 0.000838226 - 1.775113421
39 C2 Ryd(5p) 0.000422726 - 3.004126048
40 C2 Val(2p) 1.008761337 - -0.071024557
41 C2 Ryd(4p) 0.004104386 - 1.297746447
42 C2 Ryd(3p) 0.001476585 - 1.123896253
43 C2 Ryd(5p) 0.000308373 - 3.095850232
44 C2 Ryd(3d) 0.001091574 - 1.836268415
45 C2 Ryd(4d) 0.000261876 - 3.138149008
46 C2 Ryd(3d) 0.000565976 - 1.734343382
47 C2 Ryd(4d) 0.000176011 - 3.008335270
48 C2 Ryd(3d) 0.000779495 - 2.303231259
49 C2 Ryd(4d) 0.000729179 - 3.771048459
50 C2 Ryd(3d) 0.000700178 - 2.169975092
51 C2 Ryd(4d) 0.000382000 - 3.483761889
52 C2 Ryd(3d) 0.001212953 - 2.805953107
53 C2 Ryd(4d) 0.000557750 - 3.606745354
54 C3 Cor(1S) 1.998732566 - -10.095204100
55 C3 Val(2S) 0.879497836 - -0.163612140
56 C3 Ryd(4S) 0.001263819 - 1.963337122
57 C3 Ryd(3S) 0.000936125 - 1.726999572
58 C3 Ryd(5S) 0.000036829 - 20.327093128
59 C3 Val(2p) 1.085980488 - -0.152761916
60 C3 Ryd(3p) 0.001649474 - 0.611835180
61 C3 Ryd(4p) 0.000502976 - 0.898039064
62 C3 Ryd(5p) 0.000362599 - 1.827676996
63 C3 Val(2p) 1.094039575 - -0.114854399
64 C3 Ryd(3p) 0.005289729 - 1.501479391
65 C3 Ryd(4p) 0.001141344 - 1.548750679
66 C3 Ryd(5p) 0.000489155 - 2.153408099
67 C3 Val(2p) 1.108462310 - -0.110948980
68 C3 Ryd(3p) 0.002902782 - 1.304248764
69 C3 Ryd(5p) 0.000981158 - 1.725489238
70 C3 Ryd(4p) 0.000488937 - 1.710685323
71 C3 Ryd(3d) 0.000420238 - 1.478577675
72 C3 Ryd(4d) 0.000130803 - 3.269725916
73 C3 Ryd(3d) 0.000420951 - 1.399245573
74 C3 Ryd(4d) 0.000110720 - 3.214925912
75 C3 Ryd(3d) 0.000713802 - 2.473251669
76 C3 Ryd(4d) 0.000718996 - 3.768434769
77 C3 Ryd(3d) 0.000938088 - 2.024271671
78 C3 Ryd(4d) 0.000184420 - 3.555203783
79 C3 Ryd(3d) 0.000708846 - 2.353067317
80 C3 Ryd(4d) 0.000584229 - 3.636074761
81 C4 Cor(1S) 1.999007931 - -10.077355217
82 C4 Val(2S) 0.935966064 - -0.192974052
83 C4 Ryd(4S) 0.001405808 - 1.702671057
84 C4 Ryd(3S) 0.000360255 - 0.886210556
85 C4 Ryd(5S) 0.000029509 - 20.640228521
86 C4 Val(2p) 0.910185824 - -0.141242581
87 C4 Ryd(3p) 0.000951133 - 0.526393543
88 C4 Ryd(4p) 0.000197315 - 0.952060428
89 C4 Ryd(5p) 0.000039739 - 2.745615341
90 C4 Val(2p) 1.008330402 - -0.081044494
91 C4 Ryd(3p) 0.002510515 - 0.874343656
92 C4 Ryd(4p) 0.000764284 - 1.441454028
93 C4 Ryd(5p) 0.000110634 - 3.381416661
94 C4 Val(2p) 1.197149277 - -0.096891872
95 C4 Ryd(4p) 0.006143690 - 1.277144494
96 C4 Ryd(3p) 0.000666001 - 0.931677325
97 C4 Ryd(5p) 0.000072223 - 3.469618530
98 C4 Ryd(3d) 0.000754114 - 1.573432904
99 C4 Ryd(4d) 0.000069399 - 3.171610274
100 C4 Ryd(3d) 0.000731764 - 1.366046845
101 C4 Ryd(4d) 0.000138316 - 3.015982002
102 C4 Ryd(3d) 0.001211533 - 2.206913929
103 C4 Ryd(4d) 0.000319374 - 3.750231886
104 C4 Ryd(3d) 0.001201772 - 2.326663063
105 C4 Ryd(4d) 0.000167677 - 3.494594173
106 C4 Ryd(3d) 0.000853523 - 1.871990930
107 C4 Ryd(4d) 0.000506685 - 3.621884276
108 C5 Cor(1S) 1.998837541 - -10.094065396
109 C5 Val(2S) 0.886138289 - -0.156813636
110 C5 Ryd(3S) 0.003339234 - 1.524896454
111 C5 Ryd(4S) 0.001398106 - 2.020280084
112 C5 Ryd(5S) 0.000054241 - 20.966600267
113 C5 Val(2p) 1.093144763 - -0.151642959
114 C5 Ryd(3p) 0.002552073 - 0.641910025
115 C5 Ryd(4p) 0.001250242 - 0.644898203
116 C5 Ryd(5p) 0.000465480 - 2.198602779
117 C5 Val(2p) 1.096342139 - -0.111088450
118 C5 Ryd(4p) 0.013216437 - 1.341047283
119 C5 Ryd(3p) 0.001003203 - 1.254393373
120 C5 Ryd(5p) 0.000563770 - 2.620934810
121 C5 Val(2p) 1.123962257 - -0.129636457
122 C5 Ryd(4p) 0.003782352 - 1.315559852
123 C5 Ryd(3p) 0.001125424 - 1.206728631
124 C5 Ryd(5p) 0.000691403 - 2.037886806
125 C5 Ryd(3d) 0.000395647 - 1.421681413
126 C5 Ryd(4d) 0.000258147 - 3.329755679
127 C5 Ryd(3d) 0.000380753 - 1.329836803
128 C5 Ryd(4d) 0.000355319 - 3.298744240
129 C5 Ryd(3d) 0.001277065 - 2.960814780
130 C5 Ryd(4d) 0.000710836 - 3.483398152
131 C5 Ryd(3d) 0.000803235 - 2.163748714
132 C5 Ryd(4d) 0.000359058 - 3.420084058
133 C5 Ryd(3d) 0.000656333 - 2.155346844
134 C5 Ryd(4d) 0.000518779 - 3.543425834
135 C6 Cor(1S) 1.998921142 - -10.120737609
136 C6 Val(2S) 0.814256882 - -0.144206677
137 C6 Ryd(4S) 0.001767435 - 1.299398656
138 C6 Ryd(3S) 0.000669413 - 1.288467508
139 C6 Ryd(5S) 0.000073109 - 20.815171666
140 C6 Val(2p) 0.935359618 - -0.106428486
141 C6 Ryd(4p) 0.005822792 - 1.273772536
142 C6 Ryd(3p) 0.001235909 - 1.034592945
143 C6 Val(2p) 0.885705768 - -0.000317822
144 C6 Ryd(4p) 0.005276517 - 2.461572840
145 C6 Ryd(3p) 0.001209236 - 1.673138219
146 C6 Val(2p) 0.954382360 - -0.014384366
147 C6 Ryd(4p) 0.003753051 - 2.452230266
148 C6 Ryd(3p) 0.001429373 - 1.164408834
149 C6 Ryd(3d) 0.000917888 - 1.700969330
150 C6 Ryd(4d) 0.000230936 - 3.293595127
151 C6 Ryd(3d) 0.000614981 - 1.576308440
152 C6 Ryd(4d) 0.000221506 - 3.166421434
153 C6 Ryd(3d) 0.001796472 - 2.423470184
154 C6 Ryd(4d) 0.000606347 - 3.812105781
155 C6 Ryd(3d) 0.000922180 - 2.165278975
156 C6 Ryd(4d) 0.000277471 - 3.577881987
157 C6 Ryd(3d) 0.002660490 - 2.533414044
158 C6 Ryd(4d) 0.000570875 - 3.626298816
159 N7 Cor(1S) 1.999323668 - -14.192333862
160 N7 Val(2S) 1.170674528 - -0.497039171
161 N7 Ryd(4S) 0.003066498 - 1.810976438
162 N7 Ryd(3S) 0.000687677 - 1.304763294
163 N7 Ryd(5S) 0.000005332 - 34.968232744
164 N7 Val(2p) 1.439178988 - -0.275988944
165 N7 Ryd(4p) 0.008991432 - 1.137620002
166 N7 Ryd(3p) 0.001128380 - 0.865207812
167 N7 Ryd(5p) 0.000175635 - 4.336100424
168 N7 Val(2p) 1.373534874 - -0.279538472
169 N7 Ryd(4p) 0.009271187 - 1.488702230
170 N7 Ryd(3p) 0.001882608 - 0.960175157
171 N7 Ryd(5p) 0.000138187 - 4.362628635
172 N7 Val(2p) 1.503773246 - -0.276617962
173 N7 Ryd(4p) 0.013880414 - 1.206343970
174 N7 Ryd(3p) 0.001395281 - 0.963039774
175 N7 Ryd(5p) 0.000164790 - 4.158616913
176 N7 Ryd(3d) 0.000935093 - 1.985644356
177 N7 Ryd(4d) 0.000347122 - 5.072188027
178 N7 Ryd(3d) 0.001322838 - 1.920906206
179 N7 Ryd(4d) 0.000209975 - 5.026751709
180 N7 Ryd(3d) 0.001179491 - 2.019619640
181 N7 Ryd(4d) 0.000365216 - 5.000427382
182 N7 Ryd(3d) 0.000763889 - 1.986821434
183 N7 Ryd(4d) 0.000429593 - 5.044879829
184 N7 Ryd(3d) 0.000720430 - 1.762334825
185 N7 Ryd(4d) 0.000362115 - 4.991598040
186 C8 Cor(1S) 1.998917426 - -10.076207252
187 C8 Val(2S) 0.820309041 - -0.121453797
188 C8 Ryd(3S) 0.002764108 - 1.192612001
189 C8 Ryd(4S) 0.000196765 - 3.202119201
190 C8 Ryd(5S) 0.000098463 - 18.746591389
191 C8 Val(2p) 0.965165855 - -0.010165462
192 C8 Ryd(4p) 0.004452538 - 2.106341031
193 C8 Ryd(3p) 0.001102593 - 0.422319283
194 C8 Val(2p) 0.856543211 - 0.006418047
195 C8 Ryd(4p) 0.004794022 - 2.172910131
196 C8 Ryd(3p) 0.001981170 - 0.533127374
197 C8 Val(2p) 1.016204232 - -0.046871062
198 C8 Ryd(4p) 0.004049593 - 1.812677770
199 C8 Ryd(3p) 0.001787041 - 0.465076300
200 C8 Ryd(3d) 0.001209959 - 2.044176624
201 C8 Ryd(4d) 0.000467563 - 3.682160834
202 C8 Ryd(3d) 0.001200049 - 2.463504672
203 C8 Ryd(4d) 0.000412374 - 3.572494176
204 C8 Ryd(3d) 0.001914605 - 2.014172510
205 C8 Ryd(4d) 0.000309394 - 3.509866081
206 C8 Ryd(3d) 0.001220995 - 2.118816405
207 C8 Ryd(4d) 0.000416012 - 3.592183423
208 C8 Ryd(3d) 0.000697386 - 1.668430750
209 C8 Ryd(4d) 0.000274158 - 3.331030228
210 C9 Cor(1S) 1.999145180 - -10.028012206
211 C9 Val(2S) 0.945836601 - -0.152265414
212 C9 Ryd(3S) 0.006617015 - 1.277885715
213 C9 Ryd(4S) 0.000073541 - 2.998500197
214 C9 Ryd(5S) 0.000026105 - 20.346044009
215 C9 Val(2p) 1.070447117 - -0.078744581
216 C9 Ryd(4p) 0.005102119 - 0.974644970
217 C9 Ryd(3p) 0.000740149 - 0.781729754
218 C9 Ryd(5p) 0.000113810 - 3.377636631
219 C9 Val(2p) 1.134004788 - -0.072464948
220 C9 Ryd(4p) 0.010030888 - 1.001008668
221 C9 Ryd(3p) 0.000403249 - 0.920069351
222 C9 Ryd(5p) 0.000165625 - 3.361415118
223 C9 Val(2p) 1.106767051 - -0.090495394
224 C9 Ryd(4p) 0.004965524 - 0.867359790
225 C9 Ryd(3p) 0.001216406 - 0.765001058
226 C9 Ryd(5p) 0.000066754 - 3.142171460
227 C9 Ryd(3d) 0.001118266 - 1.992137429
228 C9 Ryd(4d) 0.000588705 - 3.630791087
229 C9 Ryd(3d) 0.000922379 - 1.704798128
230 C9 Ryd(4d) 0.000360990 - 3.674516125
231 C9 Ryd(3d) 0.000911938 - 1.405647071
232 C9 Ryd(4d) 0.000407566 - 3.652668400
233 C9 Ryd(3d) 0.000545182 - 1.614983741
234 C9 Ryd(4d) 0.000559336 - 3.653819431
235 C9 Ryd(3d) 0.000631576 - 1.336460903
236 C9 Ryd(4d) 0.000466721 - 3.485677282
237 C10 Cor(1S) 1.999177780 - -10.030729769
238 C10 Val(2S) 0.952740212 - -0.168998452
239 C10 Ryd(4S) 0.001066837 - 1.251857783
240 C10 Ryd(3S) 0.000226665 - 0.854687920
241 C10 Ryd(5S) 0.000026921 - 21.617576153
242 C10 Val(2p) 1.122299268 - -0.070746953
243 C10 Ryd(4p) 0.005335939 - 0.952929457
244 C10 Ryd(3p) 0.000297692 - 0.471791320
245 C10 Ryd(5p) 0.000056786 - 3.165602859
246 C10 Val(2p) 1.044994524 - -0.057527618
247 C10 Ryd(4p) 0.003835336 - 0.799037595
248 C10 Ryd(3p) 0.000395938 - 0.712153351
249 C10 Ryd(5p) 0.000160058 - 3.230248781
250 C10 Val(2p) 1.062325270 - -0.082254226
251 C10 Ryd(4p) 0.003368511 - 0.763587533
252 C10 Ryd(3p) 0.000300130 - 0.484654005
253 C10 Ryd(5p) 0.000075055 - 3.046172870
254 C10 Ryd(3d) 0.000780037 - 1.861987664
255 C10 Ryd(4d) 0.000234343 - 3.399063321
256 C10 Ryd(3d) 0.000912342 - 1.638341169
257 C10 Ryd(4d) 0.000330013 - 3.355193577
258 C10 Ryd(3d) 0.000869260 - 2.002850287
259 C10 Ryd(4d) 0.000204751 - 3.378365672
260 C10 Ryd(3d) 0.000694243 - 1.894062107
261 C10 Ryd(4d) 0.000441133 - 3.354688592
262 C10 Ryd(3d) 0.000459798 - 1.539800602
263 C10 Ryd(4d) 0.000165379 - 3.139922554
264 C11 Cor(1S) 1.999167144 - -10.025137401
265 C11 Val(2S) 0.952370305 - -0.165618341
266 C11 Ryd(4S) 0.001282630 - 1.035295046
267 C11 Ryd(3S) 0.000154760 - 0.601745826
268 C11 Ryd(5S) 0.000035476 - 22.018409226
269 C11 Val(2p) 1.078814140 - -0.066732926
270 C11 Ryd(4p) 0.004429178 - 0.777490184
271 C11 Ryd(3p) 0.000462071 - 0.605501485
272 C11 Ryd(5p) 0.000093697 - 3.153351695
273 C11 Val(2p) 1.142004093 - -0.063214332
274 C11 Ryd(4p) 0.005639098 - 0.962756097
275 C11 Ryd(3p) 0.000392998 - 0.524771350
276 C11 Ryd(5p) 0.000053805 - 3.261181901
277 C11 Val(2p) 1.043693541 - -0.078813853
278 C11 Ryd(4p) 0.003621986 - 0.643603409
279 C11 Ryd(3p) 0.000466594 - 0.604447964
280 C11 Ryd(5p) 0.000073776 - 3.033223557
281 C11 Ryd(3d) 0.000653706 - 1.800718707
282 C11 Ryd(4d) 0.000400303 - 3.325121425
283 C11 Ryd(3d) 0.001066929 - 2.148448144
284 C11 Ryd(4d) 0.000266729 - 3.310138924
285 C11 Ryd(3d) 0.000796250 - 1.844264455
286 C11 Ryd(4d) 0.000150103 - 3.227473226
287 C11 Ryd(3d) 0.000588476 - 1.797821350
288 C11 Ryd(4d) 0.000315078 - 3.219220340
289 C11 Ryd(3d) 0.000345482 - 1.604373942
290 C11 Ryd(4d) 0.000244405 - 3.107349012
291 C12 Cor(1S) 1.999056636 - -10.027873951
292 C12 Val(2S) 0.938184526 - -0.154842945
293 C12 Ryd(4S) 0.001411103 - 1.207704014
294 C12 Ryd(3S) 0.000253032 - 1.128000341
295 C12 Ryd(5S) 0.000052848 - 21.373797269
296 C12 Val(2p) 1.052887467 - -0.069087656
297 C12 Ryd(3p) 0.002677603 - 0.774528854
298 C12 Ryd(4p) 0.000734595 - 0.824341188
299 C12 Ryd(5p) 0.000245688 - 3.197784647
300 C12 Val(2p) 1.094406023 - -0.060279521
301 C12 Ryd(4p) 0.004595710 - 0.851286915
302 C12 Ryd(3p) 0.000474503 - 0.729047418
303 C12 Ryd(5p) 0.000227522 - 3.178098193
304 C12 Val(2p) 1.083515653 - -0.087971906
305 C12 Ryd(4p) 0.003220466 - 0.754844001
306 C12 Ryd(3p) 0.000709770 - 0.665564258
307 C12 Ryd(5p) 0.000141141 - 3.061857542
308 C12 Ryd(3d) 0.000863822 - 2.043379337
309 C12 Ryd(4d) 0.000445159 - 3.547156500
310 C12 Ryd(3d) 0.001189065 - 1.752400596
311 C12 Ryd(4d) 0.000141428 - 3.496690813
312 C12 Ryd(3d) 0.001066044 - 1.527516600
313 C12 Ryd(4d) 0.000269714 - 3.495118092
314 C12 Ryd(3d) 0.000664370 - 1.693136832
315 C12 Ryd(4d) 0.000213967 - 3.476392326
316 C12 Ryd(3d) 0.000641527 - 1.480911593
317 C12 Ryd(4d) 0.000242890 - 3.264148302
318 C13 Cor(1S) 1.999017678 - -10.029140060
319 C13 Val(2S) 0.860590438 - -0.102832748
320 C13 Ryd(4S) 0.003006204 - 1.437505815
321 C13 Ryd(3S) 0.000330352 - 1.291226299
322 C13 Ryd(5S) 0.000075592 - 21.256773366
323 C13 Val(2p) 1.070766215 - -0.067429737
324 C13 Ryd(4p) 0.007884023 - 1.210819403
325 C13 Ryd(3p) 0.001092536 - 1.171760035
326 C13 Ryd(5p) 0.000154009 - 3.498169892
327 C13 Val(2p) 1.102693757 - -0.074726249
328 C13 Ryd(4p) 0.006976171 - 1.422146558
329 C13 Ryd(3p) 0.001192238 - 1.074105499
330 C13 Ryd(5p) 0.000172979 - 3.590085386
331 C13 Val(2p) 1.063865561 - -0.087110009
332 C13 Ryd(3p) 0.004944724 - 0.994645280
333 C13 Ryd(4p) 0.001960512 - 1.086331691
334 C13 Ryd(5p) 0.000116269 - 3.323965931
335 C13 Ryd(3d) 0.000853188 - 2.529012851
336 C13 Ryd(4d) 0.000528729 - 3.542884118
337 C13 Ryd(3d) 0.001050913 - 2.181640260
338 C13 Ryd(4d) 0.000317592 - 3.462062459
339 C13 Ryd(3d) 0.000813599 - 2.006512421
340 C13 Ryd(4d) 0.000456570 - 3.486933414
341 C13 Ryd(3d) 0.000802363 - 2.104008029
342 C13 Ryd(4d) 0.000450048 - 3.442861552
343 C13 Ryd(3d) 0.000532437 - 1.680876135
344 C13 Ryd(4d) 0.000372446 - 3.440341178
345 C14 Cor(1S) 1.999086561 - -10.028520612
346 C14 Val(2S) 0.864895850 - -0.100923981
347 C14 Ryd(3S) 0.003824444 - 1.433555054
348 C14 Ryd(4S) 0.000383647 - 2.185194780
349 C14 Ryd(5S) 0.000087457 - 20.818139068
350 C14 Val(2p) 1.081319044 - -0.067998806
351 C14 Ryd(4p) 0.009937400 - 1.159840522
352 C14 Ryd(3p) 0.000790148 - 1.076126637
353 C14 Ryd(5p) 0.000173598 - 3.513594199
354 C14 Val(2p) 1.078133386 - -0.080900824
355 C14 Ryd(3p) 0.011112654 - 1.035849809
356 C14 Ryd(4p) 0.000940360 - 1.183579910
357 C14 Ryd(5p) 0.000162557 - 3.596111820
358 C14 Val(2p) 1.087747257 - -0.088229878
359 C14 Ryd(4p) 0.005292897 - 1.066665154
360 C14 Ryd(3p) 0.001207816 - 0.797410501
361 C14 Ryd(5p) 0.000125755 - 3.348064609
362 C14 Ryd(3d) 0.000672648 - 2.085949163
363 C14 Ryd(4d) 0.000534597 - 3.647707010
364 C14 Ryd(3d) 0.001293260 - 2.275202089
365 C14 Ryd(4d) 0.000338089 - 3.736564474
366 C14 Ryd(3d) 0.000647688 - 1.815367522
367 C14 Ryd(4d) 0.000422803 - 3.619500982
368 C14 Ryd(3d) 0.000664250 - 1.780667201
369 C14 Ryd(4d) 0.000532548 - 3.660284106
370 C14 Ryd(3d) 0.000662846 - 1.518422885
371 C14 Ryd(4d) 0.000341002 - 3.542069358
372 C15 Cor(1S) 1.998928127 - -10.075804200
373 C15 Val(2S) 0.820363221 - -0.120713128
374 C15 Ryd(3S) 0.002898837 - 1.132902386
375 C15 Ryd(4S) 0.000338406 - 2.654132937
376 C15 Ryd(5S) 0.000058806 - 19.634333675
377 C15 Val(2p) 0.928641311 - -0.006331044
378 C15 Ryd(4p) 0.005079487 - 1.940435584
379 C15 Ryd(3p) 0.002475599 - 0.859302481
380 C15 Val(2p) 1.017137606 - -0.020121697
381 C15 Ryd(4p) 0.004779552 - 2.069980196
382 C15 Ryd(3p) 0.001407396 - 0.833400450
383 C15 Val(2p) 0.891597655 - -0.022560396
384 C15 Ryd(4p) 0.004759512 - 1.649382392
385 C15 Ryd(3p) 0.001593725 - 0.786898050
386 C15 Ryd(3d) 0.000941603 - 2.291901845
387 C15 Ryd(4d) 0.000467129 - 3.634728691
388 C15 Ryd(3d) 0.001130337 - 2.004747385
389 C15 Ryd(4d) 0.000371600 - 3.708276357
390 C15 Ryd(3d) 0.001349863 - 1.952033860
391 C15 Ryd(4d) 0.000313642 - 3.572278823
392 C15 Ryd(3d) 0.001480042 - 1.926491607
393 C15 Ryd(4d) 0.000393245 - 3.567874533
394 C15 Ryd(3d) 0.001390792 - 1.758041688
395 C15 Ryd(4d) 0.000284754 - 3.340743118
396 C16 Cor(1S) 1.999146140 - -10.028166760
397 C16 Val(2S) 0.946648407 - -0.151825263
398 C16 Ryd(3S) 0.006779657 - 1.252801105
399 C16 Ryd(4S) 0.000128660 - 1.398109835
400 C16 Ryd(5S) 0.000029178 - 22.378391125
401 C16 Val(2p) 1.059810811 - -0.079868050
402 C16 Ryd(4p) 0.005475990 - 0.924789966
403 C16 Ryd(3p) 0.000774474 - 0.799871828
404 C16 Ryd(5p) 0.000163975 - 3.423482212
405 C16 Val(2p) 1.164446354 - -0.073576894
406 C16 Ryd(4p) 0.007595508 - 0.999639998
407 C16 Ryd(3p) 0.000688390 - 0.797067714
408 C16 Ryd(5p) 0.000058605 - 3.433222913
409 C16 Val(2p) 1.083576701 - -0.088905393
410 C16 Ryd(4p) 0.006665051 - 0.815397151
411 C16 Ryd(3p) 0.000779586 - 0.772254052
412 C16 Ryd(5p) 0.000117822 - 3.233250523
413 C16 Ryd(3d) 0.000768230 - 1.712197996
414 C16 Ryd(4d) 0.000459911 - 3.690927369
415 C16 Ryd(3d) 0.001117851 - 1.863035698
416 C16 Ryd(4d) 0.000452281 - 3.614028666
417 C16 Ryd(3d) 0.000964070 - 1.449340090
418 C16 Ryd(4d) 0.000498334 - 3.648820426
419 C16 Ryd(3d) 0.000847600 - 1.483857461
420 C16 Ryd(4d) 0.000690275 - 3.623433924
421 C16 Ryd(3d) 0.000413419 - 1.274448735
422 C16 Ryd(4d) 0.000277117 - 3.525364179
423 C17 Cor(1S) 1.999236832 - -10.030275564
424 C17 Val(2S) 0.956472420 - -0.169524913
425 C17 Ryd(4S) 0.002536231 - 0.936969399
426 C17 Ryd(3S) 0.000384070 - 0.764564120
427 C17 Ryd(5S) 0.000032283 - 22.511948117
428 C17 Val(2p) 1.111535723 - -0.073537311
429 C17 Ryd(4p) 0.008881898 - 0.782365794
430 C17 Ryd(3p) 0.001256339 - 0.687437568
431 C17 Ryd(5p) 0.000074386 - 3.335032834
432 C17 Val(2p) 1.095229246 - -0.068276299
433 C17 Ryd(4p) 0.005184849 - 0.840242914
434 C17 Ryd(3p) 0.001692559 - 0.448473213
435 C17 Ryd(5p) 0.000140340 - 3.397392918
436 C17 Val(2p) 1.040196227 - -0.082314489
437 C17 Ryd(3p) 0.006082424 - 0.660740195
438 C17 Ryd(4p) 0.002183860 - 0.664764820
439 C17 Ryd(5p) 0.000136758 - 3.180987605
440 C17 Ryd(3d) 0.000635703 - 1.640407079
441 C17 Ryd(4d) 0.000557136 - 3.489457949
442 C17 Ryd(3d) 0.001038778 - 1.724837287
443 C17 Ryd(4d) 0.000219429 - 3.442333163
444 C17 Ryd(3d) 0.000886211 - 1.755625463
445 C17 Ryd(4d) 0.000456801 - 3.418192829
446 C17 Ryd(3d) 0.000699080 - 1.563438522
447 C17 Ryd(4d) 0.000370691 - 3.358438368
448 C17 Ryd(3d) 0.000602952 - 1.422424213
449 C17 Ryd(4d) 0.000204240 - 3.283735607
450 C18 Cor(1S) 1.999242976 - -10.024639929
451 C18 Val(2S) 0.956954396 - -0.170707844
452 C18 Ryd(3S) 0.002525947 - 1.153741349
453 C18 Ryd(4S) 0.000594579 - 1.237786718
454 C18 Ryd(5S) 0.000019340 - 22.080029941
455 C18 Val(2p) 1.074507359 - -0.061868340
456 C18 Ryd(3p) 0.003245656 - 0.548730096
457 C18 Ryd(4p) 0.000155724 - 2.961375609
458 C18 Val(2p) 1.041189086 - -0.055044538
459 C18 Ryd(3p) 0.006667554 - 0.464487244
460 C18 Ryd(4p) 0.000160494 - 3.134555223
461 C18 Val(2p) 1.087449588 - -0.078057605
462 C18 Ryd(3p) 0.006280473 - 0.492832742
463 C18 Ryd(4p) 0.000104544 - 2.915033067
464 C18 Ryd(3d) 0.002229883 - 1.660485860
465 C18 Ryd(4d) 0.000312815 - 3.559711983
466 C18 Ryd(3d) 0.001797479 - 1.337694147
467 C18 Ryd(4d) 0.000353610 - 3.581094880
468 C18 Ryd(3d) 0.002050145 - 1.414802809
469 C18 Ryd(4d) 0.000173491 - 3.513721431
470 C18 Ryd(3d) 0.001870762 - 1.461246789
471 C18 Ryd(4d) 0.000257501 - 3.512400068
472 C18 Ryd(3d) 0.001269152 - 1.238969619
473 C18 Ryd(4d) 0.000133864 - 3.347695822
474 C19 Cor(1S) 1.999153271 - -10.026925227
475 C19 Val(2S) 0.944481928 - -0.160272600
476 C19 Ryd(3S) 0.003518540 - 1.010262718
477 C19 Ryd(4S) 0.000891866 - 1.113172965
478 C19 Ryd(5S) 0.000044766 - 22.168247214
479 C19 Val(2p) 1.022120325 - -0.074272652
480 C19 Ryd(3p) 0.002563238 - 0.849803165
481 C19 Ryd(4p) 0.000536978 - 3.072026670
482 C19 Val(2p) 1.136734482 - -0.060380656
483 C19 Ryd(3p) 0.003631621 - 0.757246158
484 C19 Ryd(4p) 0.000211755 - 3.231931012
485 C19 Val(2p) 1.026039328 - -0.080182775
486 C19 Ryd(3p) 0.003995013 - 0.687481890
487 C19 Ryd(4p) 0.000338793 - 3.052304736
488 C19 Ryd(3d) 0.001533560 - 1.741890409
489 C19 Ryd(4d) 0.000126140 - 3.484785762
490 C19 Ryd(3d) 0.001138267 - 1.861471403
491 C19 Ryd(4d) 0.000260157 - 3.522390443
492 C19 Ryd(3d) 0.001320810 - 1.518457528
493 C19 Ryd(4d) 0.000242860 - 3.451333821
494 C19 Ryd(3d) 0.000764654 - 1.551543611
495 C19 Ryd(4d) 0.000478155 - 3.494433528
496 C19 Ryd(3d) 0.000980892 - 1.430354818
497 C19 Ryd(4d) 0.000115752 - 3.324786978
498 H20 Val(1S) 0.774979830 - 0.064198611
499 H20 Ryd(2S) 0.000648460 - 2.224267777
500 H20 Ryd(2p) 0.000121320 - 2.438060804
501 H20 Ryd(2p) 0.000278835 - 2.716203732
502 H20 Ryd(2p) 0.000191091 - 2.347254057
503 H21 Val(1S) 0.784598204 - 0.074668331
504 H21 Ryd(2S) 0.000725800 - 1.056387722
505 H21 Ryd(3S) 0.000547135 - 1.826158621
506 H21 Ryd(2p) 0.000372880 - 2.519579314
507 H21 Ryd(2p) 0.000153437 - 2.474868725
508 H21 Ryd(2p) 0.000451794 - 2.412060155
509 H22 Val(1S) 0.777473155 - 0.065094403
510 H22 Ryd(2S) 0.000357200 - 1.070518674
511 H22 Ryd(3S) 0.000192409 - 1.976326557
512 H22 Ryd(2p) 0.000283211 - 2.579766553
513 H22 Ryd(2p) 0.000202679 - 2.574339127
514 H22 Ryd(2p) 0.000149753 - 2.287050037
515 H23 Val(1S) 0.764856305 - 0.061450381
516 H23 Ryd(2S) 0.000688399 - 1.121772920
517 H23 Ryd(3S) 0.000523289 - 2.042450188
518 H23 Ryd(2p) 0.000102702 - 2.453124003
519 H23 Ryd(2p) 0.000319090 - 2.773169116
520 H23 Ryd(2p) 0.000159299 - 2.374680045
521 H24 Val(1S) 0.769722335 - 0.051985274
522 H24 Ryd(2S) 0.000298635 - 2.360382691
523 H24 Ryd(2p) 0.000116397 - 2.467000279
524 H24 Ryd(2p) 0.000228083 - 2.651678156
525 H24 Ryd(2p) 0.000249184 - 2.425096484
526 H25 Val(1S) 0.777929567 - 0.064820776
527 H25 Ryd(2S) 0.000474887 - 0.974243606
528 H25 Ryd(3S) 0.000179051 - 2.017258365
529 H25 Ryd(2p) 0.000188471 - 2.473659369
530 H25 Ryd(2p) 0.000347858 - 2.693604282
531 H25 Ryd(2p) 0.000134977 - 2.241902732
532 H26 Val(1S) 0.777057519 - 0.064315066
533 H26 Ryd(2S) 0.000466710 - 1.038659992
534 H26 Ryd(3S) 0.000174810 - 2.030389452
535 H26 Ryd(2p) 0.000330028 - 2.621963385
536 H26 Ryd(2p) 0.000091444 - 2.495150410
537 H26 Ryd(2p) 0.000235896 - 2.328888311
538 H27 Val(1S) 0.765454513 - 0.061334318
539 H27 Ryd(2S) 0.001429181 - 0.725620511
540 H27 Ryd(3S) 0.000335072 - 2.345378952
541 H27 Ryd(2p) 0.000130335 - 2.507602071
542 H27 Ryd(2p) 0.000172402 - 2.710955720
543 H27 Ryd(2p) 0.000202873 - 2.453846118
544 C28 Cor(1S) 1.999242852 - -10.099723762
545 C28 Val(2S) 0.820417009 - -0.122107488
546 C28 Ryd(3S) 0.008897396 - 0.918046265
547 C28 Ryd(4S) 0.000219299 - 1.118856130
548 C28 Ryd(5S) 0.000070835 - 20.837118326
549 C28 Val(2p) 0.913143711 - -0.108209275
550 C28 Ryd(3p) 0.001430116 - 0.756132982
551 C28 Ryd(4p) 0.000677024 - 0.772769434
552 C28 Ryd(5p) 0.000054568 - 2.460618337
553 C28 Val(2p) 0.965157313 - -0.010170279
554 C28 Ryd(4p) 0.011846262 - 1.273892689
555 C28 Ryd(3p) 0.000178489 - 0.716721124
556 C28 Ryd(5p) 0.000211900 - 2.613336325
557 C28 Val(2p) 0.928610220 - -0.072166381
558 C28 Ryd(4p) 0.008075984 - 0.993322237
559 C28 Ryd(3p) 0.000136771 - 0.756627408
560 C28 Ryd(5p) 0.000108468 - 2.671157588
561 C28 Ryd(4d) 0.000596927 - 2.946145540
562 C28 Ryd(3d) 0.000074320 - 2.440896835
563 C28 Ryd(4d) 0.000295321 - 2.823475303
564 C28 Ryd(3d) 0.000203946 - 2.125737208
565 C28 Ryd(4d) 0.000537766 - 3.533102858
566 C28 Ryd(3d) 0.000131197 - 2.725705217
567 C28 Ryd(4d) 0.000456977 - 3.142825673
568 C28 Ryd(3d) 0.000073076 - 2.568130777
569 C28 Ryd(4d) 0.000357499 - 3.052917161
570 C28 Ryd(3d) 0.000086169 - 2.615809781
571 N29 Cor(1S) 1.999567950 - -14.076293460
572 N29 Val(2S) 1.581600325 - -0.590246232
573 N29 Ryd(4S) 0.003095927 - 2.323409992
574 N29 Ryd(3S) 0.000361475 - 1.119754551
575 N29 Ryd(5S) 0.000002211 - 35.079681420
576 N29 Val(2p) 1.153304506 - -0.176299200
577 N29 Ryd(3p) 0.001157756 - 0.522609263
578 N29 Ryd(4p) 0.000086041 - 1.169905173
579 N29 Ryd(5p) 0.000048235 - 3.544551924
580 N29 Val(2p) 1.386577499 - -0.196639798
581 N29 Ryd(3p) 0.001684239 - 0.605640109
582 N29 Ryd(4p) 0.000236152 - 1.604246910
583 N29 Ryd(5p) 0.000064320 - 3.769782943
584 N29 Val(2p) 1.222134086 - -0.182109088
585 N29 Ryd(3p) 0.001066462 - 0.589826156
586 N29 Ryd(4p) 0.000170302 - 1.355629760
587 N29 Ryd(5p) 0.000047176 - 3.696116118
588 N29 Ryd(3d) 0.003838084 - 1.501978465
589 N29 Ryd(4d) 0.000051924 - 4.739830484
590 N29 Ryd(3d) 0.001808316 - 1.348014207
591 N29 Ryd(4d) 0.000023300 - 4.655871803
592 N29 Ryd(3d) 0.005823118 - 1.921977558
593 N29 Ryd(4d) 0.000034093 - 4.911688727
594 N29 Ryd(3d) 0.004175571 - 1.656418219
595 N29 Ryd(4d) 0.000038045 - 4.800300747
596 N29 Ryd(3d) 0.003017108 - 1.432223814
597 N29 Ryd(4d) 0.000017067 - 4.745508694
598 H30 Val(1S) 0.738443110 - 0.047398696
599 H30 Ryd(3S) 0.000283348 - 1.826863681
600 H30 Ryd(2S) 0.000167891 - 1.267824948
601 H30 Ryd(2p) 0.000284726 - 1.997217752
602 H30 Ryd(2p) 0.000082565 - 2.667361103
603 H30 Ryd(2p) 0.000323341 - 3.003343289
604 C31 Cor(1S) 1.999244642 - -10.099696214
605 C31 Val(2S) 0.820478106 - -0.122775485
606 C31 Ryd(4S) 0.008635963 - 0.997337378
607 C31 Ryd(3S) 0.000388097 - 0.908529551
608 C31 Ryd(5S) 0.000045904 - 20.579542767
609 C31 Val(2p) 0.913285127 - -0.108237392
610 C31 Ryd(4p) 0.001522413 - 0.746433937
611 C31 Ryd(3p) 0.000237715 - 0.690177658
612 C31 Ryd(5p) 0.000060910 - 2.473403085
613 C31 Val(2p) 0.965325545 - -0.009529050
614 C31 Ryd(4p) 0.012150265 - 1.255095611
615 C31 Ryd(3p) 0.000176983 - 0.699149154
616 C31 Ryd(5p) 0.000140271 - 2.618379127
617 C31 Val(2p) 0.928473447 - -0.071913617
618 C31 Ryd(4p) 0.008005915 - 0.992217917
619 C31 Ryd(3p) 0.000128103 - 0.735605502
620 C31 Ryd(5p) 0.000111947 - 2.661480158
621 C31 Ryd(4d) 0.000663871 - 2.952053954
622 C31 Ryd(3d) 0.000092458 - 2.439176267
623 C31 Ryd(4d) 0.000303179 - 2.827905090
624 C31 Ryd(3d) 0.000069413 - 2.141296219
625 C31 Ryd(4d) 0.000545109 - 3.541463160
626 C31 Ryd(3d) 0.000086371 - 2.730184190
627 C31 Ryd(4d) 0.000481093 - 3.146105586
628 C31 Ryd(3d) 0.000084649 - 2.556888522
629 C31 Ryd(4d) 0.000380905 - 3.060244718
630 C31 Ryd(3d) 0.000082790 - 2.607874362
631 N32 Cor(1S) 1.999567998 - -14.076294331
632 N32 Val(2S) 1.581599291 - -0.590248872
633 N32 Ryd(4S) 0.003046786 - 2.313918225
634 N32 Ryd(3S) 0.000288808 - 1.155696063
635 N32 Ryd(5S) 0.000002083 - 35.042763740
636 N32 Val(2p) 1.153549473 - -0.176263738
637 N32 Ryd(3p) 0.001074755 - 0.509847992
638 N32 Ryd(4p) 0.000064450 - 1.234587506
639 N32 Ryd(5p) 0.000048626 - 3.498045407
640 N32 Val(2p) 1.386607449 - -0.196631563
641 N32 Ryd(3p) 0.001663033 - 0.590805117
642 N32 Ryd(4p) 0.000235185 - 1.683199335
643 N32 Ryd(5p) 0.000065767 - 3.706792175
644 N32 Val(2p) 1.222125296 - -0.182052609
645 N32 Ryd(3p) 0.001048291 - 0.584953874
646 N32 Ryd(4p) 0.000153430 - 1.410593177
647 N32 Ryd(5p) 0.000050731 - 3.654175155
648 N32 Ryd(3d) 0.003729203 - 1.511619299
649 N32 Ryd(4d) 0.000032528 - 4.731514484
650 N32 Ryd(3d) 0.001775050 - 1.358225460
651 N32 Ryd(4d) 0.000017880 - 4.648250272
652 N32 Ryd(3d) 0.005830116 - 1.927929576
653 N32 Ryd(4d) 0.000029812 - 4.907919619
654 N32 Ryd(3d) 0.004131888 - 1.665204665
655 N32 Ryd(4d) 0.000027464 - 4.790905344
656 N32 Ryd(3d) 0.002969552 - 1.448089182
657 N32 Ryd(4d) 0.000009600 - 4.738384835
658 N33 Cor(1S) 1.999235369 - -14.194549506
659 N33 Val(2S) 1.163945016 - -0.498778217
660 N33 Ryd(4S) 0.002704466 - 1.870348453
661 N33 Ryd(3S) 0.000703238 - 1.380791151
662 N33 Ryd(5S) 0.000005390 - 34.618095557
663 N33 Val(2p) 1.435396391 - -0.275692547
664 N33 Ryd(4p) 0.007402220 - 1.113679077
665 N33 Ryd(3p) 0.000991581 - 0.936905108
666 N33 Ryd(5p) 0.000131419 - 4.168127018
667 N33 Val(2p) 1.365353153 - -0.273061283
668 N33 Ryd(4p) 0.008615661 - 1.501544937
669 N33 Ryd(3p) 0.001646621 - 1.077299950
670 N33 Ryd(5p) 0.000087464 - 3.997959693
671 N33 Val(2p) 1.500862095 - -0.274474933
672 N33 Ryd(4p) 0.009798414 - 1.232890224
673 N33 Ryd(3p) 0.001188825 - 1.059883723
674 N33 Ryd(5p) 0.000120276 - 3.993504266
675 N33 Ryd(3d) 0.000954209 - 1.932574147
676 N33 Ryd(4d) 0.000260720 - 5.102953118
677 N33 Ryd(3d) 0.001318362 - 1.885361922
678 N33 Ryd(4d) 0.000197292 - 5.037806060
679 N33 Ryd(3d) 0.001139333 - 1.954570404
680 N33 Ryd(4d) 0.000354215 - 5.060070627
681 N33 Ryd(3d) 0.000683245 - 1.892120008
682 N33 Ryd(4d) 0.000409977 - 5.089755300
683 N33 Ryd(3d) 0.000514060 - 1.775082058
684 N33 Ryd(4d) 0.000228467 - 5.019077780
685 C34 Cor(1S) 1.998931280 - -10.075777927
686 C34 Val(2S) 0.820389103 - -0.120927042
687 C34 Ryd(4S) 0.002908890 - 1.147622884
688 C34 Ryd(3S) 0.000280117 - 1.034322186
689 C34 Ryd(5S) 0.000037790 - 21.178107832
690 C34 Val(2p) 0.928595658 - -0.006374050
691 C34 Ryd(4p) 0.005029049 - 1.935637357
692 C34 Ryd(3p) 0.002422849 - 0.877139248
693 C34 Val(2p) 1.017133559 - -0.020286331
694 C34 Ryd(4p) 0.004116436 - 2.074573560
695 C34 Ryd(3p) 0.001402981 - 0.863134848
696 C34 Val(2p) 0.891504945 - -0.022289474
697 C34 Ryd(4p) 0.004289068 - 1.670801610
698 C34 Ryd(3p) 0.001497161 - 0.797012814
699 C34 Ryd(3d) 0.000889321 - 2.290094341
700 C34 Ryd(4d) 0.000484578 - 3.638543530
701 C34 Ryd(3d) 0.001082457 - 1.997340334
702 C34 Ryd(4d) 0.000380807 - 3.708683572
703 C34 Ryd(3d) 0.001292639 - 1.977442047
704 C34 Ryd(4d) 0.000298708 - 3.562619434
705 C34 Ryd(3d) 0.001512203 - 1.919433346
706 C34 Ryd(4d) 0.000346351 - 3.574863824
707 C34 Ryd(3d) 0.001380411 - 1.757888197
708 C34 Ryd(4d) 0.000288894 - 3.338652962
709 C35 Cor(1S) 1.999145698 - -10.028171140
710 C35 Val(2S) 0.946623781 - -0.151732707
711 C35 Ryd(3S) 0.006774391 - 1.257743329
712 C35 Ryd(4S) 0.000142185 - 1.367796671
713 C35 Ryd(5S) 0.000029839 - 22.396857276
714 C35 Val(2p) 1.059808094 - -0.080026144
715 C35 Ryd(4p) 0.005392875 - 0.924709569
716 C35 Ryd(3p) 0.000941655 - 0.833053771
717 C35 Ryd(5p) 0.000173974 - 3.405124261
718 C35 Val(2p) 1.164448305 - -0.073562288
719 C35 Ryd(4p) 0.007636153 - 1.000048847
720 C35 Ryd(3p) 0.000679874 - 0.836330979
721 C35 Ryd(5p) 0.000058479 - 3.412788433
722 C35 Val(2p) 1.083657348 - -0.089168237
723 C35 Ryd(4p) 0.006558125 - 0.807928748
724 C35 Ryd(3p) 0.000713184 - 0.740039619
725 C35 Ryd(5p) 0.000120859 - 3.224060305
726 C35 Ryd(3d) 0.000722875 - 1.719381574
727 C35 Ryd(4d) 0.000456092 - 3.691564690
728 C35 Ryd(3d) 0.001113759 - 1.865700709
729 C35 Ryd(4d) 0.000453697 - 3.618037662
730 C35 Ryd(3d) 0.000961856 - 1.448882262
731 C35 Ryd(4d) 0.000500734 - 3.653038095
732 C35 Ryd(3d) 0.000838402 - 1.483215696
733 C35 Ryd(4d) 0.000696825 - 3.625302001
734 C35 Ryd(3d) 0.000423853 - 1.276801398
735 C35 Ryd(4d) 0.000277729 - 3.524398176
736 C36 Cor(1S) 1.999236970 - -10.030275023
737 C36 Val(2S) 0.956482584 - -0.169629241
738 C36 Ryd(4S) 0.002522984 - 0.934895152
739 C36 Ryd(3S) 0.000258448 - 0.898763368
740 C36 Ryd(5S) 0.000031562 - 22.373360024
741 C36 Val(2p) 1.111537116 - -0.073554279
742 C36 Ryd(4p) 0.008883221 - 0.782231187
743 C36 Ryd(3p) 0.001251303 - 0.683223431
744 C36 Ryd(5p) 0.000077483 - 3.336494669
745 C36 Val(2p) 1.095230856 - -0.068283659
746 C36 Ryd(4p) 0.005188390 - 0.840625053
747 C36 Ryd(3p) 0.001698660 - 0.451475274
748 C36 Ryd(5p) 0.000135906 - 3.396632732
749 C36 Val(2p) 1.040187074 - -0.082327544
750 C36 Ryd(3p) 0.006077692 - 0.660172198
751 C36 Ryd(4p) 0.002127463 - 0.666594775
752 C36 Ryd(5p) 0.000134230 - 3.183556489
753 C36 Ryd(3d) 0.000635356 - 1.639689709
754 C36 Ryd(4d) 0.000556189 - 3.489251855
755 C36 Ryd(3d) 0.001037559 - 1.725245123
756 C36 Ryd(4d) 0.000214848 - 3.443995450
757 C36 Ryd(3d) 0.000884678 - 1.755474758
758 C36 Ryd(4d) 0.000456358 - 3.418709713
759 C36 Ryd(3d) 0.000702135 - 1.562785707
760 C36 Ryd(4d) 0.000371495 - 3.359067483
761 C36 Ryd(3d) 0.000603695 - 1.421662768
762 C36 Ryd(4d) 0.000204104 - 3.284287520
763 C37 Cor(1S) 1.999242957 - -10.024640127
764 C37 Val(2S) 0.956953592 - -0.170705585
765 C37 Ryd(3S) 0.002492173 - 1.166084339
766 C37 Ryd(4S) 0.000592460 - 1.298607637
767 C37 Ryd(5S) 0.000014842 - 22.007816389
768 C37 Val(2p) 1.074489272 - -0.061872758
769 C37 Ryd(3p) 0.003248162 - 0.548600089
770 C37 Ryd(4p) 0.000153353 - 2.960693537
771 C37 Val(2p) 1.041185596 - -0.055048735
772 C37 Ryd(3p) 0.006663894 - 0.464422273
773 C37 Ryd(4p) 0.000161152 - 3.136619142
774 C37 Val(2p) 1.087451014 - -0.078055444
775 C37 Ryd(3p) 0.006273741 - 0.493520240
776 C37 Ryd(4p) 0.000103375 - 2.914738931
777 C37 Ryd(3d) 0.002231806 - 1.660617105
778 C37 Ryd(4d) 0.000311069 - 3.559904612
779 C37 Ryd(3d) 0.001798802 - 1.338036694
780 C37 Ryd(4d) 0.000354164 - 3.580917960
781 C37 Ryd(3d) 0.002052302 - 1.414968997
782 C37 Ryd(4d) 0.000173164 - 3.513701647
783 C37 Ryd(3d) 0.001871443 - 1.461306010
784 C37 Ryd(4d) 0.000257384 - 3.512077564
785 C37 Ryd(3d) 0.001270135 - 1.239187577
786 C37 Ryd(4d) 0.000133368 - 3.347419385
787 C38 Cor(1S) 1.999153248 - -10.026925039
788 C38 Val(2S) 0.944482965 - -0.160286377
789 C38 Ryd(3S) 0.003519488 - 1.011652063
790 C38 Ryd(4S) 0.000875655 - 1.105628442
791 C38 Ryd(5S) 0.000043922 - 22.167916544
792 C38 Val(2p) 1.022124249 - -0.074277805
793 C38 Ryd(3p) 0.002558149 - 0.850458860
794 C38 Ryd(4p) 0.000539171 - 3.069360711
795 C38 Val(2p) 1.136733269 - -0.060385864
796 C38 Ryd(3p) 0.003626790 - 0.757877100
797 C38 Ryd(4p) 0.000203540 - 3.230950715
798 C38 Val(2p) 1.026031662 - -0.080183802
799 C38 Ryd(3p) 0.003992882 - 0.687951139
800 C38 Ryd(4p) 0.000339715 - 3.052255347
801 C38 Ryd(3d) 0.001527651 - 1.743059681
802 C38 Ryd(4d) 0.000125983 - 3.483727283
803 C38 Ryd(3d) 0.001138196 - 1.862321020
804 C38 Ryd(4d) 0.000259840 - 3.521306074
805 C38 Ryd(3d) 0.001318478 - 1.519632641
806 C38 Ryd(4d) 0.000242735 - 3.450700888
807 C38 Ryd(3d) 0.000760775 - 1.552807232
808 C38 Ryd(4d) 0.000477677 - 3.493991730
809 C38 Ryd(3d) 0.000982975 - 1.431349361
810 C38 Ryd(4d) 0.000115345 - 3.323310642
811 C39 Cor(1S) 1.999086199 - -10.028521243
812 C39 Val(2S) 0.864885326 - -0.100687580
813 C39 Ryd(3S) 0.003807055 - 1.447972395
814 C39 Ryd(4S) 0.000451834 - 1.979670788
815 C39 Ryd(5S) 0.000088967 - 21.007590299
816 C39 Val(2p) 1.081334769 - -0.068015959
817 C39 Ryd(4p) 0.009902839 - 1.157790829
818 C39 Ryd(3p) 0.000629341 - 1.098318415
819 C39 Ryd(5p) 0.000174087 - 3.490413488
820 C39 Val(2p) 1.078167992 - -0.080802567
821 C39 Ryd(3p) 0.011104755 - 1.040983059
822 C39 Ryd(4p) 0.000958423 - 1.224913937
823 C39 Ryd(5p) 0.000156162 - 3.554904909
824 C39 Val(2p) 1.087765505 - -0.088272280
825 C39 Ryd(4p) 0.005291835 - 1.065920407
826 C39 Ryd(3p) 0.001025062 - 0.804503642
827 C39 Ryd(5p) 0.000125574 - 3.321445610
828 C39 Ryd(3d) 0.000668372 - 2.097165446
829 C39 Ryd(4d) 0.000515906 - 3.641530757
830 C39 Ryd(3d) 0.001267072 - 2.282891343
831 C39 Ryd(4d) 0.000323880 - 3.731293213
832 C39 Ryd(3d) 0.000632828 - 1.812572968
833 C39 Ryd(4d) 0.000425661 - 3.618203776
834 C39 Ryd(3d) 0.000651436 - 1.784523069
835 C39 Ryd(4d) 0.000530425 - 3.657351376
836 C39 Ryd(3d) 0.000661288 - 1.522405613
837 C39 Ryd(4d) 0.000344282 - 3.541620332
838 C40 Cor(1S) 1.999017656 - -10.029138128
839 C40 Val(2S) 0.860595641 - -0.102680471
840 C40 Ryd(4S) 0.002989080 - 1.441010907
841 C40 Ryd(3S) 0.000326882 - 1.290968404
842 C40 Ryd(5S) 0.000075776 - 21.238745460
843 C40 Val(2p) 1.070806008 - -0.067428423
844 C40 Ryd(4p) 0.007850112 - 1.212117109
845 C40 Ryd(3p) 0.001074630 - 1.191928512
846 C40 Ryd(5p) 0.000153295 - 3.494271300
847 C40 Val(2p) 1.102751804 - -0.074751752
848 C40 Ryd(4p) 0.006986108 - 1.425745296
849 C40 Ryd(3p) 0.001039642 - 1.095244162
850 C40 Ryd(5p) 0.000171940 - 3.581670319
851 C40 Val(2p) 1.063863390 - -0.087063175
852 C40 Ryd(3p) 0.004916126 - 0.999987326
853 C40 Ryd(4p) 0.001884942 - 1.091453494
854 C40 Ryd(5p) 0.000119094 - 3.313793369
855 C40 Ryd(3d) 0.000838555 - 2.543917835
856 C40 Ryd(4d) 0.000507444 - 3.533561303
857 C40 Ryd(3d) 0.001044821 - 2.199379034
858 C40 Ryd(4d) 0.000308374 - 3.447406315
859 C40 Ryd(3d) 0.000801930 - 2.017995006
860 C40 Ryd(4d) 0.000458203 - 3.471628351
861 C40 Ryd(3d) 0.000799571 - 2.114382726
862 C40 Ryd(4d) 0.000454049 - 3.426574496
863 C40 Ryd(3d) 0.000531626 - 1.693996885
864 C40 Ryd(4d) 0.000362957 - 3.429373840
865 C41 Cor(1S) 1.998921108 - -10.076174020
866 C41 Val(2S) 0.820338049 - -0.121579766
867 C41 Ryd(4S) 0.002781917 - 1.205666298
868 C41 Ryd(3S) 0.000174559 - 0.877447005
869 C41 Ryd(5S) 0.000054979 - 20.871185039
870 C41 Val(2p) 0.965149898 - -0.010327344
871 C41 Ryd(4p) 0.004444273 - 2.106096164
872 C41 Ryd(3p) 0.001112482 - 0.432748344
873 C41 Val(2p) 0.856414084 - 0.006761057
874 C41 Ryd(4p) 0.003853132 - 2.204527842
875 C41 Ryd(3p) 0.001871893 - 0.544505969
876 C41 Val(2p) 1.016180935 - -0.046998322
877 C41 Ryd(4p) 0.003874042 - 1.815815647
878 C41 Ryd(3p) 0.001718613 - 0.479419374
879 C41 Ryd(3d) 0.001158156 - 2.029968632
880 C41 Ryd(4d) 0.000469846 - 3.682571572
881 C41 Ryd(3d) 0.001193796 - 2.445260544
882 C41 Ryd(4d) 0.000404058 - 3.584068463
883 C41 Ryd(3d) 0.001935772 - 2.019017963
884 C41 Ryd(4d) 0.000288290 - 3.509195235
885 C41 Ryd(3d) 0.001143845 - 2.113661271
886 C41 Ryd(4d) 0.000398543 - 3.582516349
887 C41 Ryd(3d) 0.000681759 - 1.663412007
888 C41 Ryd(4d) 0.000270866 - 3.338145900
889 C42 Cor(1S) 1.999144879 - -10.028014663
890 C42 Val(2S) 0.945825147 - -0.152152542
891 C42 Ryd(3S) 0.006613140 - 1.283949045
892 C42 Ryd(4S) 0.000087564 - 2.588164673
893 C42 Ryd(5S) 0.000027031 - 20.756275265
894 C42 Val(2p) 1.070375724 - -0.078844591
895 C42 Ryd(4p) 0.005001725 - 0.976099766
896 C42 Ryd(3p) 0.000735880 - 0.786284747
897 C42 Ryd(5p) 0.000111588 - 3.374496010
898 C42 Val(2p) 1.134108781 - -0.073004441
899 C42 Ryd(4p) 0.009827232 - 0.989552221
900 C42 Ryd(3p) 0.000320027 - 0.883082323
901 C42 Ryd(5p) 0.000168035 - 3.356326165
902 C42 Val(2p) 1.106747134 - -0.090480357
903 C42 Ryd(4p) 0.004982688 - 0.869813020
904 C42 Ryd(3p) 0.001123441 - 0.752045647
905 C42 Ryd(5p) 0.000063318 - 3.140078340
906 C42 Ryd(3d) 0.001103947 - 1.989481606
907 C42 Ryd(4d) 0.000592553 - 3.632612683
908 C42 Ryd(3d) 0.000853277 - 1.716493564
909 C42 Ryd(4d) 0.000354412 - 3.679044643
910 C42 Ryd(3d) 0.000905845 - 1.402387020
911 C42 Ryd(4d) 0.000405903 - 3.654074990
912 C42 Ryd(3d) 0.000541595 - 1.622810774
913 C42 Ryd(4d) 0.000550930 - 3.655934899
914 C42 Ryd(3d) 0.000623695 - 1.337092645
915 C42 Ryd(4d) 0.000475403 - 3.487905617
916 C43 Cor(1S) 1.999177756 - -10.030729531
917 C43 Val(2S) 0.952750273 - -0.169086467
918 C43 Ryd(4S) 0.001018870 - 1.291262072
919 C43 Ryd(3S) 0.000081849 - 0.945219329
920 C43 Ryd(5S) 0.000026798 - 21.451637509
921 C43 Val(2p) 1.122291007 - -0.070742442
922 C43 Ryd(4p) 0.005341558 - 0.952989510
923 C43 Ryd(3p) 0.000295155 - 0.474552673
924 C43 Ryd(5p) 0.000056245 - 3.162517633
925 C43 Val(2p) 1.045005788 - -0.057556966
926 C43 Ryd(4p) 0.003824433 - 0.797407138
927 C43 Ryd(3p) 0.000374006 - 0.732750781
928 C43 Ryd(5p) 0.000160216 - 3.229236690
929 C43 Val(2p) 1.062327175 - -0.082240460
930 C43 Ryd(4p) 0.003370071 - 0.763087355
931 C43 Ryd(3p) 0.000308851 - 0.489468755
932 C43 Ryd(5p) 0.000072308 - 3.043427595
933 C43 Ryd(3d) 0.000780918 - 1.860903113
934 C43 Ryd(4d) 0.000233603 - 3.399598496
935 C43 Ryd(3d) 0.000914385 - 1.637418978
936 C43 Ryd(4d) 0.000330769 - 3.355991565
937 C43 Ryd(3d) 0.000869942 - 2.002568795
938 C43 Ryd(4d) 0.000204920 - 3.378922882
939 C43 Ryd(3d) 0.000687273 - 1.891873896
940 C43 Ryd(4d) 0.000440968 - 3.355572631
941 C43 Ryd(3d) 0.000457019 - 1.538634204
942 C43 Ryd(4d) 0.000165401 - 3.141148805
943 C44 Cor(1S) 1.999167097 - -10.025137813
944 C44 Val(2S) 0.952368154 - -0.165615020
945 C44 Ryd(4S) 0.001274000 - 1.039418358
946 C44 Ryd(3S) 0.000086951 - 0.841870354
947 C44 Ryd(5S) 0.000035854 - 21.778858001
948 C44 Val(2p) 1.078803991 - -0.066732727
949 C44 Ryd(4p) 0.004428030 - 0.776199936
950 C44 Ryd(3p) 0.000460300 - 0.605831568
951 C44 Ryd(5p) 0.000092936 - 3.154732599
952 C44 Val(2p) 1.141997384 - -0.063202120
953 C44 Ryd(4p) 0.005638710 - 0.963113774
954 C44 Ryd(3p) 0.000391290 - 0.525129166
955 C44 Ryd(5p) 0.000051373 - 3.262994198
956 C44 Val(2p) 1.043700963 - -0.078807720
957 C44 Ryd(4p) 0.003620817 - 0.643447339
958 C44 Ryd(3p) 0.000472867 - 0.604392951
959 C44 Ryd(5p) 0.000073849 - 3.033938767
960 C44 Ryd(3d) 0.000652849 - 1.801058287
961 C44 Ryd(4d) 0.000399600 - 3.325915391
962 C44 Ryd(3d) 0.001068378 - 2.147087353
963 C44 Ryd(4d) 0.000266184 - 3.311097708
964 C44 Ryd(3d) 0.000796114 - 1.844286504
965 C44 Ryd(4d) 0.000149886 - 3.227791021
966 C44 Ryd(3d) 0.000589356 - 1.797015239
967 C44 Ryd(4d) 0.000315322 - 3.219545699
968 C44 Ryd(3d) 0.000344680 - 1.604289663
969 C44 Ryd(4d) 0.000244642 - 3.107724350
970 C45 Cor(1S) 1.999056513 - -10.027874531
971 C45 Val(2S) 0.938180852 - -0.154809289
972 C45 Ryd(4S) 0.001397675 - 1.207729428
973 C45 Ryd(3S) 0.000188024 - 0.909594250
974 C45 Ryd(5S) 0.000055044 - 21.574790012
975 C45 Val(2p) 1.052894718 - -0.069099617
976 C45 Ryd(3p) 0.002666602 - 0.776671710
977 C45 Ryd(4p) 0.000694899 - 0.846201411
978 C45 Ryd(5p) 0.000242458 - 3.183437308
979 C45 Val(2p) 1.094404156 - -0.060272973
980 C45 Ryd(4p) 0.004586763 - 0.854495292
981 C45 Ryd(3p) 0.000468870 - 0.741357084
982 C45 Ryd(5p) 0.000224095 - 3.160539303
983 C45 Val(2p) 1.083507654 - -0.087977205
984 C45 Ryd(4p) 0.003203049 - 0.756285165
985 C45 Ryd(3p) 0.000664525 - 0.674927494
986 C45 Ryd(5p) 0.000140384 - 3.049648223
987 C45 Ryd(3d) 0.000862591 - 2.045639922
988 C45 Ryd(4d) 0.000443628 - 3.547054315
989 C45 Ryd(3d) 0.001183965 - 1.753156525
990 C45 Ryd(4d) 0.000141481 - 3.495579521
991 C45 Ryd(3d) 0.001064467 - 1.529471896
992 C45 Ryd(4d) 0.000269002 - 3.493891232
993 C45 Ryd(3d) 0.000662568 - 1.695522823
994 C45 Ryd(4d) 0.000210239 - 3.475179681
995 C45 Ryd(3d) 0.000641052 - 1.483704437
996 C45 Ryd(4d) 0.000243818 - 3.262228277
997 H46 Val(1S) 0.769720275 - 0.051978068
998 H46 Ryd(2S) 0.000299469 - 2.360390372
999 H46 Ryd(2p) 0.000115969 - 2.467041816
1000 H46 Ryd(2p) 0.000228069 - 2.651794098
1001 H46 Ryd(2p) 0.000249924 - 2.425021359
1002 H47 Val(1S) 0.777927079 - 0.064825505
1003 H47 Ryd(2S) 0.000475377 - 0.975261740
1004 H47 Ryd(3S) 0.000177241 - 2.017176706
1005 H47 Ryd(2p) 0.000189449 - 2.473887967
1006 H47 Ryd(2p) 0.000347866 - 2.694551194
1007 H47 Ryd(2p) 0.000134701 - 2.241730011
1008 H48 Val(1S) 0.777064727 - 0.064316710
1009 H48 Ryd(2S) 0.000465754 - 1.034645457
1010 H48 Ryd(3S) 0.000176263 - 2.033951598
1011 H48 Ryd(2p) 0.000331123 - 2.621379815
1012 H48 Ryd(2p) 0.000090273 - 2.495171618
1013 H48 Ryd(2p) 0.000235897 - 2.328677155
1014 H49 Val(1S) 0.765456374 - 0.061351409
1015 H49 Ryd(2S) 0.001384720 - 0.731551499
1016 H49 Ryd(3S) 0.000321830 - 2.344949966
1017 H49 Ryd(2p) 0.000122413 - 2.511105111
1018 H49 Ryd(2p) 0.000176534 - 2.711278956
1019 H49 Ryd(2p) 0.000205935 - 2.454568245
1020 H50 Val(1S) 0.774977706 - 0.064196363
1021 H50 Ryd(2S) 0.000648664 - 2.224284773
1022 H50 Ryd(2p) 0.000121036 - 2.437936759
1023 H50 Ryd(2p) 0.000278723 - 2.716239852
1024 H50 Ryd(2p) 0.000190727 - 2.346953255
1025 H51 Val(1S) 0.784598886 - 0.074676196
1026 H51 Ryd(2S) 0.000724787 - 1.056834689
1027 H51 Ryd(3S) 0.000546109 - 1.826262250
1028 H51 Ryd(2p) 0.000373534 - 2.520332023
1029 H51 Ryd(2p) 0.000153634 - 2.474781118
1030 H51 Ryd(2p) 0.000452377 - 2.412821405
1031 H52 Val(1S) 0.777474565 - 0.065092150
1032 H52 Ryd(2S) 0.000357754 - 1.066871698
1033 H52 Ryd(3S) 0.000190098 - 1.978526020
1034 H52 Ryd(2p) 0.000282355 - 2.579613184
1035 H52 Ryd(2p) 0.000199696 - 2.574913816
1036 H52 Ryd(2p) 0.000150388 - 2.287004767
1037 H53 Val(1S) 0.764846684 - 0.061499275
1038 H53 Ryd(2S) 0.000642399 - 1.319857738
1039 H53 Ryd(3S) 0.000422341 - 1.833504648
1040 H53 Ryd(2p) 0.000101577 - 2.451230449
1041 H53 Ryd(2p) 0.000307556 - 2.773692153
1042 H53 Ryd(2p) 0.000158083 - 2.377804187
1043 H54 Val(1S) 0.734962340 - 0.052459358
1044 H54 Ryd(2S) 0.000681626 - 1.552427118
1045 H54 Ryd(3S) 0.000330902 - 2.061100221
1046 H54 Ryd(2p) 0.000157938 - 2.067862574
1047 H54 Ryd(2p) 0.000063635 - 2.740314888
1048 H54 Ryd(2p) 0.000331660 - 3.001369326
1049 - **********
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1080 - **********

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(35.27%)p1.83(64.59%)d0.00(0.13%) 1.053180719 - -0.106241833
2 BD(1)C2(C1) 2s(36.81%)p1.71(63.13%)d0.00(0.05%) 0.904881324 - -0.006787179
3 BD(2)C1(C2) 1s(0.01%)p1.00(99.95%)d0.00(0.04%) 1.002735382 - -0.269716695
4 BD(2)C2(C1) 2s(0.01%)p1.00(99.94%)d0.00(0.05%) 1.013680379 - -0.580791423
5 BD(1)C1(C6) 1s(35.64%)p1.80(64.26%)d0.00(0.10%) 1.109620319 - -0.119949478
6 BD(1)C6(C1) 6s(36.57%)p1.73(63.29%)d0.00(0.14%) 1.083281558 - -0.316122022
7 BD(1)C1(H54) 1s(29.16%)p2.43(70.78%)d0.00(0.06%) 2.691037559 - -0.548861428
8 BD(1)H54(C1) 54s(99.97%)p0.00(0.03%) 1.352711638 - -1.287729817
9 BD(1)C2(C3) 2s(35.30%)p1.83(64.61%)d0.00(0.09%) 1.021405202 - -0.119716036
10 BD(1)C3(C2) 3s(35.06%)p1.85(64.88%)d0.00(0.07%) 1.037413564 - -0.126419229
11 BD(1)C2(N33) 2s(27.72%)p2.60(72.20%)d0.00(0.07%) 0.847224405 - -0.152026895
12 BD(1)N33(C2) 33s(34.33%)p1.91(65.60%)d0.00(0.07%) 1.249979395 - -0.355389153
13 BD(1)C3(C4) 3s(35.31%)p1.83(64.63%)d0.00(0.06%) 1.021478300 - -0.123827977
14 BD(1)C4(C3) 4s(35.03%)p1.85(64.84%)d0.00(0.13%) 1.129513395 - -0.553778107
15 BD(2)C3(C4) 3s(0.01%)p1.00(99.98%)d0.00(0.01%) 1.152043830 - -0.478658080
16 BD(2)C4(C3) 4s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.039182827 - -0.160269943
17 BD(1)C3(C31) 3s(29.49%)p2.39(70.43%)d0.00(0.08%) 1.034133232 - -0.138323800
18 BD(1)C31(C3) 31s(52.90%)p0.89(47.07%)d0.00(0.03%) 0.988117693 - -0.172929803
19 BD(1)C4(C5) 4s(35.02%)p1.85(64.85%)d0.00(0.13%) 0.950895674 - -0.101754178
20 BD(1)C5(C4) 5s(35.36%)p1.83(64.58%)d0.00(0.06%) 1.048747265 - -0.130237491
21 BD(1)C4(H30) 4s(29.78%)p2.36(70.16%)d0.00(0.06%) 1.259906422 - -0.208573344
22 BD(1)H30(C4) 30s(99.97%)p0.00(0.03%) 0.740856062 - 0.055513026
23 BD(1)C5(C6) 5s(35.15%)p1.84(64.80%)d0.00(0.05%) 1.025058383 - -0.157258718
24 BD(1)C6(C5) 6s(34.95%)p1.86(64.85%)d0.01(0.21%) 0.970528135 - -0.312047272
25 BD(2)C5(C6) 5s(0.01%)p1.00(99.94%)d0.00(0.05%) 1.156169715 - -0.632882566
26 BD(2)C6(C5) 6s(0.01%)p1.00(99.95%)d0.00(0.04%) 1.047177913 - -0.151489056
27 BD(1)C5(C28) 5s(29.46%)p2.39(70.46%)d0.00(0.07%) 1.046146285 - -0.140980225
28 BD(1)C28(C5) 28s(52.90%)p0.89(47.07%)d0.00(0.03%) 0.982803099 - -0.138490795
29 BD(1)C6(N7) 6s(28.44%)p2.51(71.45%)d0.00(0.11%) 0.826169890 - -0.067414716
30 BD(1)N7(C6) 7s(33.95%)p1.94(65.97%)d0.00(0.08%) 1.249569872 - -0.922639137
31 BD(1)N7(C8) 7s(32.81%)p2.05(67.10%)d0.00(0.09%) 1.311481077 - -0.518923400
32 BD(1)C8(N7) 8s(27.24%)p2.67(72.62%)d0.01(0.15%) 0.715785090 - -0.000665859
33 BD(1)N7(C15) 7s(32.92%)p2.03(66.99%)d0.00(0.08%) 1.280706942 - -0.348047248
34 BD(1)C15(N7) 15s(27.29%)p2.66(72.55%)d0.01(0.16%) 0.756584958 - -0.100195840
35 BD(1)C8(C9) 8s(38.98%)p1.56(60.96%)d0.00(0.05%) 0.999625528 - -0.090199239
36 BD(1)C9(C8) 9s(34.56%)p1.89(65.34%)d0.00(0.10%) 1.002774800 - -0.053924044
37 BD(1)C8(C13) 8s(33.81%)p1.95(65.97%)d0.01(0.22%) 1.004279419 - -0.228409356
38 BD(1)C13(C8) 13s(30.30%)p2.30(69.62%)d0.00(0.08%) 0.927187490 - -0.384983391
39 BD(2)C8(C13) 8s(0.00%)p1.00(99.93%)d0.00(0.07%) 1.043038821 - -0.385360638
40 BD(2)C13(C8) 13s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.081996062 - -0.126009809
41 BD(1)C9(C10) 9s(36.26%)p1.76(63.64%)d0.00(0.10%) 1.059616181 - -0.301576489
42 BD(1)C10(C9) 10s(35.62%)p1.80(64.27%)d0.00(0.12%) 0.989429387 - -0.358968062
43 BD(2)C9(C10) 9s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.065357506 - -0.527669153
44 BD(2)C10(C9) 10s(0.00%)p1.00(99.95%)d0.00(0.04%) 1.011590606 - -0.116634284
45 BD(1)C9(H27) 9s(29.34%)p2.41(70.60%)d0.00(0.07%) 1.226335022 - -0.146986718
46 BD(1)H27(C9) 27s(99.97%)p0.00(0.03%) 0.784862510 - 0.010719620
47 BD(1)C10(C11) 10s(35.82%)p1.79(64.08%)d0.00(0.11%) 1.005594712 - -0.078646134
48 BD(1)C11(C10) 11s(35.42%)p1.82(64.47%)d0.00(0.11%) 1.122252544 - -0.368676551
49 BD(1)C10(H26) 10s(28.44%)p2.51(71.52%)d0.00(0.05%) 1.364345775 - -0.350729960
50 BD(1)H26(C10) 26s(99.96%)p0.00(0.04%) 0.812954495 - 0.053775696
51 BD(1)C11(C12) 11s(35.76%)p1.79(64.14%)d0.00(0.11%) 0.989435788 - -0.085530643
52 BD(1)C12(C11) 12s(36.24%)p1.76(63.65%)d0.00(0.11%) 1.042474886 - -0.064963072
53 BD(2)C11(C12) 11s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.113162915 - -0.295926285
54 BD(2)C12(C11) 12s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.988947887 - -0.109404842
55 BD(1)C11(H25) 11s(28.69%)p2.48(71.26%)d0.00(0.05%) 1.214575594 - -0.129776208
56 BD(1)H25(C11) 25s(99.96%)p0.00(0.04%) 0.784310609 - 0.063728470
57 BD(1)C12(C13) 12s(34.83%)p1.87(65.06%)d0.00(0.11%) 1.004470933 - -0.130883292
58 BD(1)C13(C12) 13s(37.09%)p1.69(62.87%)d0.00(0.04%) 1.080155776 - -0.265495751
59 BD(1)C12(H24) 12s(28.70%)p2.48(71.22%)d0.00(0.08%) 1.223089005 - -0.145221452
60 BD(1)H24(C12) 24s(99.97%)p0.00(0.03%) 0.770046188 - 0.053816584
61 BD(1)C13(C14) 13s(32.58%)p2.07(67.36%)d0.00(0.06%) 1.011847390 - -0.119902140
62 BD(1)C14(C13) 14s(32.54%)p2.07(67.40%)d0.00(0.06%) 1.021691929 - -0.337007355
63 BD(1)C14(C15) 14s(30.47%)p2.28(69.46%)d0.00(0.07%) 1.026489916 - -0.061105402
64 BD(1)C15(C14) 15s(33.78%)p1.95(66.02%)d0.01(0.20%) 0.965508497 - -0.039311009
65 BD(2)C14(C15) 14s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.085327879 - -0.252063805
66 BD(2)C15(C14) 15s(0.00%)p1.00(99.92%)d0.00(0.08%) 1.048403665 - -0.384458262
67 BD(1)C14(C19) 14s(36.94%)p1.71(63.01%)d0.00(0.05%) 1.048766535 - -0.095588151
68 BD(1)C19(C14) 19s(34.52%)p1.89(65.30%)d0.01(0.18%) 0.953395836 - -0.076286126
69 BD(1)C15(C16) 15s(38.94%)p1.57(61.01%)d0.00(0.05%) 0.998996979 - -0.258008530
70 BD(1)C16(C15) 16s(34.58%)p1.89(65.31%)d0.00(0.11%) 0.926929246 - -0.360885089
71 BD(1)C16(C17) 16s(36.21%)p1.76(63.70%)d0.00(0.10%) 1.013530192 - -0.068607433
72 BD(1)C17(C16) 17s(35.56%)p1.81(64.32%)d0.00(0.12%) 0.979369016 - -0.060976730
73 BD(2)C16(C17) 16s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.038790229 - -0.117902651
74 BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.998050128 - -0.122906153
75 BD(1)C16(H23) 16s(29.40%)p2.40(70.55%)d0.00(0.06%) 1.237818966 - -0.143711949
76 BD(1)H23(C16) 23s(99.96%)p0.00(0.04%) 0.840591037 - -0.142080330
77 BD(1)C17(C18) 17s(35.98%)p1.78(63.94%)d0.00(0.08%) 1.006913292 - -0.072937119
78 BD(1)C18(C17) 18s(35.24%)p1.83(64.51%)d0.01(0.25%) 0.980440455 - -0.057315412
79 BD(1)C17(H22) 17s(28.41%)p2.52(71.54%)d0.00(0.05%) 1.248290480 - -0.183402873
80 BD(1)H22(C17) 22s(99.96%)p0.00(0.04%) 0.783906876 - 0.025994616
81 BD(1)C18(C19) 18s(35.91%)p1.77(63.66%)d0.01(0.43%) 0.977299889 - -0.052669758
82 BD(1)C19(C18) 19s(36.77%)p1.72(63.12%)d0.00(0.11%) 0.998004528 - -0.068462903
83 BD(2)C18(C19) 18s(0.00%)p1.00(99.88%)d0.00(0.12%) 1.021667067 - -0.118649544
84 BD(2)C19(C18) 19s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.036764281 - -0.423133005
85 BD(1)C18(H21) 18s(28.85%)p2.46(71.10%)d0.00(0.05%) 1.226161415 - -0.193942414
86 BD(1)H21(C18) 21s(99.95%)p0.00(0.05%) 0.784983792 - 0.077871889
87 BD(1)C19(H20) 19s(28.79%)p2.47(71.11%)d0.00(0.11%) 1.206443813 - -0.122492271
88 BD(1)H20(C19) 20s(99.98%)p0.00(0.02%) 0.775335907 - 0.066223597
89 BD(1)C28(N29) 28s(47.20%)p1.12(52.74%)d0.00(0.06%) 0.858144950 - 0.062107826
90 BD(1)N29(C28) 29s(47.35%)p1.10(52.14%)d0.01(0.51%) 1.153872668 - -0.233328364
91 BD(2)C28(N29) 28s(0.07%)p99.99(99.87%)d0.73(0.05%) 0.900498544 - -0.116745635
92 BD(2)N29(C28) 29s(0.06%)p99.99(99.51%)d7.02(0.43%) 1.108067416 - -0.172012769
93 BD(3)C28(N29) 28s(0.01%)p1.00(99.94%)d0.00(0.06%) 0.904622277 - -0.189943890
94 BD(3)N29(C28) 29s(0.01%)p1.00(99.58%)d0.00(0.41%) 1.137003014 - -0.174733351
95 BD(1)C31(N32) 31s(47.18%)p1.12(52.76%)d0.00(0.06%) 0.843623183 - 0.052503891
96 BD(1)N32(C31) 32s(47.35%)p1.10(52.15%)d0.01(0.51%) 1.170488744 - -0.292192905
97 BD(2)C31(N32) 31s(0.08%)p99.99(99.87%)d0.66(0.05%) 0.912539324 - -0.300527514
98 BD(2)N32(C31) 32s(0.07%)p99.99(99.50%)d6.45(0.43%) 1.105008862 - -0.171719277
99 BD(3)C31(N32) 31s(0.01%)p1.00(99.94%)d0.00(0.06%) 0.909773484 - -0.115613914
100 BD(3)N32(C31) 32s(0.01%)p1.00(99.59%)d0.00(0.41%) 1.137144037 - -0.174248290
101 BD(1)N33(C34) 33s(32.76%)p2.05(67.15%)d0.00(0.09%) 1.290638461 - -0.348294074
102 BD(1)C34(N33) 34s(27.33%)p2.65(72.52%)d0.01(0.15%) 0.736010282 - -0.006220054
103 BD(1)N33(C41) 33s(32.62%)p2.06(67.29%)d0.00(0.10%) 1.273055391 - -0.363334501
104 BD(1)C41(N33) 41s(27.29%)p2.66(72.57%)d0.01(0.14%) 0.705732525 - -0.002712195
105 BD(1)C34(C35) 34s(38.96%)p1.57(60.99%)d0.00(0.05%) 1.082797873 - -0.133908486
106 BD(1)C35(C34) 35s(34.58%)p1.89(65.32%)d0.00(0.11%) 1.054038531 - -0.050666771
107 BD(1)C34(C39) 34s(33.74%)p1.96(66.05%)d0.01(0.21%) 0.976164168 - -0.040968068
108 BD(1)C39(C34) 39s(30.48%)p2.28(69.45%)d0.00(0.07%) 1.014288273 - -0.057727008
109 BD(2)C34(C39) 34s(0.01%)p99.99(99.91%)d7.30(0.08%) 0.984715993 - -0.068056847
110 BD(2)C39(C34) 39s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.077774586 - -0.118449825
111 BD(1)C35(C36) 35s(36.21%)p1.76(63.69%)d0.00(0.09%) 1.139425657 - -0.159068372
112 BD(1)C36(C35) 36s(35.56%)p1.81(64.32%)d0.00(0.12%) 1.062638176 - -0.272939529
113 BD(2)C35(C36) 35s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.038373970 - -0.115255608
114 BD(2)C36(C35) 36s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.002072051 - -0.142740789
115 BD(1)C35(H53) 35s(29.40%)p2.40(70.55%)d0.00(0.06%) 3.016627373 - -1.212082909
116 BD(1)H53(C35) 53s(99.96%)p0.00(0.04%) 1.391565498 - -1.265755212
117 BD(1)C36(C37) 36s(35.98%)p1.78(63.94%)d0.00(0.08%) 1.215139949 - -0.205181152
118 BD(1)C37(C36) 37s(35.24%)p1.83(64.51%)d0.01(0.25%) 1.002163828 - -0.213067718
119 BD(1)C36(H52) 36s(28.41%)p2.52(71.54%)d0.00(0.05%) 3.205465695 - -1.131298258
120 BD(1)H52(C36) 52s(99.96%)p0.00(0.04%) 1.311277983 - -0.837990993
121 BD(1)C37(C38) 37s(35.91%)p1.77(63.66%)d0.01(0.43%) 0.982276406 - -0.045533597
122 BD(1)C38(C37) 38s(36.76%)p1.72(63.12%)d0.00(0.11%) 1.074853912 - -0.119191899
123 BD(2)C37(C38) 37s(0.00%)p1.00(99.88%)d0.00(0.12%) 1.033057064 - -0.154338163
124 BD(2)C38(C37) 38s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.019923027 - -0.223090138
125 BD(1)C37(H51) 37s(28.85%)p2.46(71.10%)d0.00(0.05%) 3.551428504 - -0.857535529
126 BD(1)H51(C37) 51s(99.95%)p0.00(0.05%) 1.589217167 - -0.524435395
127 BD(1)C38(C39) 38s(34.52%)p1.89(65.30%)d0.01(0.18%) 0.945361863 - -0.046087289
128 BD(1)C39(C38) 39s(36.94%)p1.71(63.01%)d0.00(0.05%) 1.170009805 - -0.175820336
129 BD(1)C38(H50) 38s(28.79%)p2.47(71.10%)d0.00(0.11%) 3.456351098 - -0.847182294
130 BD(1)H50(C38) 50s(99.98%)p0.00(0.02%) 1.542979692 - -0.769570068
131 BD(1)C39(C40) 39s(32.53%)p2.07(67.40%)d0.00(0.06%) 1.011179957 - -0.078341652
132 BD(1)C40(C39) 40s(32.58%)p2.07(67.37%)d0.00(0.06%) 0.999484277 - -0.070839519
133 BD(1)C40(C41) 40s(30.31%)p2.30(69.62%)d0.00(0.07%) 1.046095087 - -0.068859853
134 BD(1)C41(C40) 41s(33.77%)p1.95(66.01%)d0.01(0.23%) 0.985384849 - -0.085540021
135 BD(2)C40(C41) 40s(0.00%)p1.00(99.96%)d0.00(0.03%) 1.062222127 - -0.105539757
136 BD(2)C41(C40) 41s(0.00%)p1.00(99.93%)d0.00(0.07%) 0.987122252 - -0.066270076
137 BD(1)C40(C45) 40s(37.09%)p1.69(62.87%)d0.00(0.04%) 1.064902604 - -0.310402058
138 BD(1)C45(C40) 45s(34.83%)p1.87(65.06%)d0.00(0.11%) 1.012707123 - -0.463384434
139 BD(1)C41(C42) 41s(39.00%)p1.56(60.94%)d0.00(0.06%) 0.971556897 - -0.363297174
140 BD(1)C42(C41) 42s(34.56%)p1.89(65.34%)d0.00(0.10%) 0.986675487 - -0.045836632
141 BD(1)C42(C43) 42s(36.27%)p1.75(63.64%)d0.00(0.10%) 1.013854349 - -0.068256159
142 BD(1)C43(C42) 43s(35.61%)p1.80(64.27%)d0.00(0.12%) 1.050720937 - -0.170804118
143 BD(2)C42(C43) 42s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.041201408 - -0.118413654
144 BD(2)C43(C42) 43s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.001880832 - -0.128035849
145 BD(1)C42(H49) 42s(29.34%)p2.41(70.60%)d0.00(0.07%) 1.269046786 - -0.185846624
146 BD(1)H49(C42) 49s(99.97%)p0.00(0.03%) 0.738571319 - 0.083424766
147 BD(1)C43(C44) 43s(35.81%)p1.79(64.08%)d0.00(0.11%) 1.038464226 - -0.206895848
148 BD(1)C44(C43) 44s(35.42%)p1.82(64.47%)d0.00(0.11%) 1.056482432 - -0.252615703
149 BD(1)C43(H48) 43s(28.44%)p2.51(71.52%)d0.00(0.05%) 1.175240784 - -0.130822945
150 BD(1)H48(C43) 48s(99.96%)p0.00(0.04%) 0.778485170 - 0.067323245
151 BD(1)C44(C45) 44s(35.76%)p1.79(64.14%)d0.00(0.11%) 1.006696781 - -0.070831755
152 BD(1)C45(C44) 45s(36.24%)p1.76(63.65%)d0.00(0.11%) 1.013861947 - -0.072629672
153 BD(2)C44(C45) 44s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.119886756 - -0.219098170
154 BD(2)C45(C44) 45s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.111484513 - -0.234940139
155 BD(1)C44(H47) 44s(28.69%)p2.48(71.26%)d0.00(0.05%) 1.281105150 - -0.104810223
156 BD(1)H47(C44) 47s(99.96%)p0.00(0.04%) 0.782292997 - 0.054653925
157 BD(1)C45(H46) 45s(28.70%)p2.48(71.23%)d0.00(0.08%) 1.229140394 - -0.127329382
158 BD(1)H46(C45) 46s(99.97%)p0.00(0.03%) 0.873993957 - -0.174953521
159 CR(1)C1 s(100.00%)p0.00(0.00%) 2.000324960 - -10.080405683
160 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999468701 - -10.119011109
161 CR(1)C3 s(100.00%)p0.00(0.00%) 2.005060340 - -10.110085853
162 CR(1)C4 s(100.00%)p0.00(0.00%) 2.009864219 - -10.123956106
163 CR(1)C5 s(100.00%)p0.00(0.00%) 2.004545941 - -10.134544667
164 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999022459 - -10.118218794
165 CR(1)N7 s(100.00%)p0.00(0.00%) 2.006408385 - -14.222557995
166 CR(1)C8 s(100.00%)p0.00(0.00%) 2.011809293 - -10.113027342
167 CR(1)C9 s(100.00%)p0.00(0.00%) 2.005388162 - -10.096590797
168 CR(1)C10 s(100.00%)p0.00(0.00%) 1.999720711 - -10.031865051
169 CR(1)C11 s(100.00%)p0.00(0.00%) 2.002440637 - -10.039679809
170 CR(1)C12 s(100.00%)p0.00(0.00%) 2.000592004 - -10.032561428
171 CR(1)C13 s(100.00%)p0.00(0.00%) 2.039965893 - -10.031226425
172 CR(1)C14 s(100.00%)p0.00(0.00%) 1.999488657 - -10.028533038
173 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999900157 - -10.096840282
174 CR(1)C16 s(100.00%)p0.00(0.00%) 2.006675757 - -10.056035625
175 CR(1)C17 s(100.00%)p0.00(0.00%) 2.013685005 - -10.076144183
176 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999709944 - -10.027146387
177 CR(1)C19 s(100.00%)p0.00(0.00%) 2.000566991 - -10.029080338
178 CR(1)C28 s(100.00%)p0.00(0.00%) 2.000079055 - -10.100406070
179 CR(1)N29 s(100.00%)p0.00(0.00%) 1.999659233 - -14.078059208
180 CR(1)C31 s(100.00%)p0.00(0.00%) 1.999537419 - -10.112067772
181 CR(1)N32 s(100.00%)p0.00(0.00%) 2.001736026 - -14.077128026
182 CR(1)N33 s(100.00%)p0.00(0.00%) 1.999814939 - -14.191905257
183 CR(1)C34 s(100.00%)p0.00(0.00%) 2.002024000 - -10.071868147
184 CR(1)C35 s(100.00%)p0.00(0.00%) 2.001505992 - -10.097165893
185 CR(1)C36 s(100.00%)p0.00(0.00%) 2.001032355 - -10.069239053
186 CR(1)C37 s(100.00%)p0.00(0.00%) 2.003639391 - -10.085205432
187 CR(1)C38 s(100.00%)p0.00(0.00%) 2.002728183 - -10.078724175
188 CR(1)C39 s(100.00%)p0.00(0.00%) 2.006022794 - -10.069594803
189 CR(1)C40 s(100.00%)p0.00(0.00%) 2.012310251 - -10.471861878
190 CR(1)C41 s(100.00%)p0.00(0.00%) 2.008753159 - -10.436497354
191 CR(1)C42 s(100.00%)p0.00(0.00%) 1.998962938 - -10.027857793
192 CR(1)C43 s(100.00%)p0.00(0.00%) 2.000507832 - -10.032276515
193 CR(1)C44 s(100.00%)p0.00(0.00%) 2.005218040 - -10.037358718
194 CR(1)C45 s(100.00%)p0.00(0.00%) 1.999085743 - -10.028172171
195 LP(1)N7 s(0.16%)p99.99(99.84%)d0.01(0.00%) 1.660836171 - -0.274520512
196 LP(1)N29 s(52.58%)p0.90(47.28%)d0.00(0.15%) 1.977449568 - -0.549992728
197 LP(1)N32 s(52.57%)p0.90(47.28%)d0.00(0.15%) 1.971356140 - -0.538010801
198 LP(1)N33 s(0.16%)p99.99(99.84%)d0.01(0.00%) 1.658249160 - -0.273316174
199 RY*(1)C1 s(0.24%)p99.99(90.68%)d37.15(9.07%) 9.967697724 - -1.804581944
200 RY*(2)C1 s(27.46%)p2.56(70.36%)d0.08(2.18%) 1.969322900 - 1.365958092
201 RY*(3)C1 s(0.45%)p99.99(78.01%)d48.10(21.54%) 9.592876463 - -1.700340772
202 RY*(4)C1 s(60.33%)p0.45(27.26%)d0.21(12.40%) 0.981316651 - 1.737228627
203 RY*(5)C1 s(0.70%)p99.99(86.87%)d17.64(12.43%) 1.616553190 - 1.135613339
204 RY*(6)C1 s(1.56%)p49.48(77.41%)d13.44(21.03%) 12.390481749 - -3.204547821
205 RY*(7)C1 s(1.66%)p20.73(34.45%)d38.45(63.89%) 17.667285614 - -2.025914966
206 RY*(8)C1 s(7.06%)p1.28(9.01%)d11.89(83.93%) 4.039250831 - 1.468219255
207 RY*(9)C1 s(2.20%)p26.84(58.95%)d17.69(38.85%) 8.235184251 - 0.185456755
208 RY*(10)C1 s(0.88%)p66.50(58.38%)d46.42(40.74%) 1.925622349 - 1.306006366
209 RY*(11)C1 s(9.17%)p1.68(15.40%)d8.22(75.43%) 2.624213937 - 1.567239073
210 RY*(12)C1 s(17.32%)p2.46(42.59%)d2.32(40.10%) 19.935113266 - -1.488032404
211 RY*(13)C1 s(3.24%)p1.83(5.94%)d28.00(90.81%) 2.290931462 - 2.303001754
212 RY*(14)C1 s(11.61%)p1.83(21.22%)d5.78(67.17%) 2.983515505 - 3.673408086
213 RY*(15)C1 s(30.96%)p1.13(35.13%)d1.10(33.91%) 11.286011134 - 0.710694102
214 RY*(16)C1 s(4.81%)p7.12(34.24%)d12.67(60.95%) 0.477023596 - 4.646040326
215 RY*(17)C1 s(4.28%)p18.21(77.97%)d4.15(17.75%) 1.169366649 - 3.378373366
216 RY*(18)C1 s(14.60%)p4.25(62.06%)d1.60(23.33%) 0.859259934 - 6.263730943
217 RY*(19)C1 s(0.13%)p5.72(0.72%)d99.99(99.15%) 0.498798619 - 3.104300157
218 RY*(20)C1 s(1.24%)p1.86(2.31%)d77.54(96.45%) 3.206777328 - 2.475831882
219 RY*(21)C1 s(0.00%)p1.00(11.44%)d7.74(88.55%) 0.141847753 - 3.171630726
220 RY*(1)C2 s(2.21%)p42.80(94.50%)d1.49(3.30%) 3.731911444 - -0.088007291
221 RY*(2)C2 s(0.16%)p99.99(96.86%)d18.34(2.98%) 0.632014696 - 0.822284250
222 RY*(3)C2 s(3.09%)p29.10(90.00%)d2.23(6.91%) 0.675145859 - 0.816457104
223 RY*(4)C2 s(4.08%)p11.63(47.40%)d11.90(48.52%) 3.434899474 - 0.466020438
224 RY*(5)C2 s(47.27%)p0.57(26.89%)d0.55(25.83%) 0.903309312 - 1.425029483
225 RY*(6)C2 s(6.70%)p8.65(57.92%)d5.28(35.39%) 1.149486247 - 1.277604896
226 RY*(7)C2 s(8.00%)p6.02(48.18%)d5.48(43.82%) 2.611018663 - 0.478584549
227 RY*(8)C2 s(22.40%)p2.33(52.29%)d1.13(25.31%) 6.505398839 - -0.317769074
228 RY*(9)C2 s(7.61%)p5.94(45.21%)d6.20(47.18%) 0.561032601 - 1.866127723
229 RY*(10)C2 s(42.92%)p0.96(41.03%)d0.37(16.05%) 22.493114017 - -6.704506476
230 RY*(11)C2 s(13.43%)p1.04(14.03%)d5.40(72.54%) 0.644286910 - 2.704427054
231 RY*(12)C2 s(3.89%)p6.17(23.99%)d18.56(72.13%) 0.506965606 - 2.324942287
232 RY*(13)C2 s(8.11%)p9.18(74.42%)d2.15(17.47%) 1.997380396 - 2.384451022
233 RY*(14)C2 s(8.90%)p2.20(19.55%)d8.04(71.55%) 0.810049260 - 2.620380595
234 RY*(15)C2 s(9.84%)p3.72(36.60%)d5.44(53.56%) 0.893239128 - 2.638005119
235 RY*(16)C2 s(3.35%)p3.23(10.82%)d25.60(85.83%) 1.375975227 - 2.706886485
236 RY*(17)C2 s(1.17%)p17.80(20.85%)d66.58(77.98%) 3.120749719 - 2.546894628
237 RY*(18)C2 s(5.62%)p4.21(23.64%)d12.59(70.74%) 0.722422958 - 2.469979617
238 RY*(19)C2 s(8.21%)p7.63(62.64%)d3.55(29.15%) 0.886075773 - 2.754733032
239 RY*(20)C2 s(75.04%)p0.09(7.05%)d0.24(17.91%) 1.600109151 - 14.457732932
240 RY*(21)C2 s(15.81%)p0.25(4.02%)d5.07(80.17%) 0.508767445 - 4.615253826
241 RY*(22)C2 s(2.35%)p0.95(2.22%)d40.67(95.43%) 0.852585638 - 3.725478894
242 RY*(1)C3 s(1.92%)p47.49(91.16%)d3.60(6.92%) 0.401157643 - 1.348083612
243 RY*(2)C3 s(33.60%)p1.84(61.66%)d0.14(4.74%) 0.330905349 - 1.559660501
244 RY*(3)C3 s(6.23%)p14.61(90.96%)d0.45(2.81%) -0.924872003 - 1.096652534
245 RY*(4)C3 s(15.08%)p5.41(81.61%)d0.22(3.31%) 0.160201617 - 1.701242713
246 RY*(5)C3 s(31.74%)p1.21(38.45%)d0.94(29.81%) 1.761378940 - 1.408703630
247 RY*(6)C3 s(0.81%)p45.32(36.56%)d77.64(62.63%) 0.486205584 - 1.337152779
248 RY*(7)C3 s(51.37%)p0.64(32.98%)d0.30(15.65%) 2.069043910 - 1.084488753
249 RY*(8)C3 s(17.13%)p1.07(18.30%)d3.77(64.57%) -0.050006981 - 2.524571182
250 RY*(9)C3 s(0.85%)p72.26(61.43%)d44.38(37.72%) 3.464663930 - 0.879945975
251 RY*(10)C3 s(28.08%)p1.07(29.92%)d1.50(41.99%) -0.163846987 - 2.705893323
252 RY*(11)C3 s(0.21%)p99.99(41.93%)d99.99(57.86%) -0.309428198 - 1.669005665
253 RY*(12)C3 s(2.36%)p17.56(41.54%)d23.72(56.10%) 1.713420204 - 2.399772282
254 RY*(13)C3 s(7.12%)p3.99(28.42%)d9.05(64.46%) 0.811206994 - 1.537971265
255 RY*(14)C3 s(2.11%)p22.69(47.95%)d23.62(49.93%) 0.664428817 - 1.843755308
256 RY*(15)C3 s(1.22%)p12.96(15.76%)d68.25(83.02%) 0.159670196 - 2.327939982
257 RY*(16)C3 s(3.43%)p23.79(81.59%)d4.37(14.98%) 2.897579262 - 1.253623248
258 RY*(17)C3 s(1.82%)p44.72(81.26%)d9.31(16.92%) 0.432832863 - 1.567928183
259 RY*(18)C3 s(3.14%)p2.20(6.91%)d28.64(89.95%) 0.229600989 - 3.361896467
260 RY*(19)C3 s(0.09%)p27.93(2.64%)d99.99(97.27%) 0.026416986 - 2.634389725
261 RY*(20)C3 s(6.42%)p0.60(3.85%)d13.98(89.73%) 0.022892912 - 3.499694852
262 RY*(21)C3 s(85.02%)p0.06(5.01%)d0.12(9.96%) 0.723072233 - 17.000239300
263 RY*(22)C3 s(0.39%)p0.46(0.18%)d99.99(99.44%) 0.006248452 - 3.654569159
264 RY*(1)C4 s(2.83%)p32.25(91.20%)d2.11(5.97%) 0.052359344 - 1.244982915
265 RY*(2)C4 s(0.41%)p99.99(95.19%)d10.74(4.40%) 0.011872252 - 1.033218095
266 RY*(3)C4 s(8.66%)p6.60(57.16%)d3.95(34.19%) -1.098745465 - 0.659464003
267 RY*(4)C4 s(6.13%)p4.49(27.53%)d10.82(66.35%) -3.299877405 - 1.289363240
268 RY*(5)C4 s(66.16%)p0.40(26.38%)d0.11(7.45%) 0.128251080 - 1.432902262
269 RY*(6)C4 s(17.50%)p3.39(59.40%)d1.32(23.09%) 0.138629562 - 1.151387105
270 RY*(7)C4 s(6.10%)p4.86(29.65%)d10.52(64.24%) 0.099664273 - 3.146927776
271 RY*(8)C4 s(0.14%)p99.99(60.14%)d99.99(39.72%) -0.142079563 - 1.581203774
272 RY*(9)C4 s(19.65%)p1.01(19.94%)d3.07(60.41%) 1.272517345 - 0.992025663
273 RY*(10)C4 s(64.20%)p0.07(4.63%)d0.49(31.17%) 3.231708767 - 0.015708880
274 RY*(11)C4 s(1.91%)p11.33(21.62%)d40.05(76.47%) 0.470950376 - 2.604976209
275 RY*(12)C4 s(0.17%)p99.99(25.89%)d99.99(73.93%) -0.216717803 - 2.681474913
276 RY*(13)C4 s(6.03%)p10.07(60.72%)d5.51(33.25%) 0.091275062 - 3.274843811
277 RY*(14)C4 s(4.52%)p7.38(33.36%)d13.74(62.12%) 0.163902301 - 2.870330998
278 RY*(15)C4 s(0.21%)p99.99(90.76%)d43.66(9.03%) 0.016715409 - 1.484163957
279 RY*(16)C4 s(1.31%)p47.00(61.51%)d28.41(37.18%) 0.440181468 - 2.481148449
280 RY*(17)C4 s(0.29%)p99.99(94.93%)d16.19(4.77%) 0.149806853 - 2.486604645
281 RY*(18)C4 s(0.09%)p23.08(2.01%)d99.99(97.90%) 0.018604143 - 2.748126769
282 RY*(19)C4 s(93.18%)p0.05(4.93%)d0.02(1.89%) 0.321597982 - 19.330317099
283 RY*(20)C4 s(0.09%)p16.30(1.41%)d99.99(98.51%) 0.023990141 - 3.450885621
284 RY*(21)C4 s(0.22%)p10.43(2.25%)d99.99(97.54%) -0.000581034 - 3.298247443
285 RY*(22)C4 s(0.37%)p80.03(29.58%)d99.99(70.05%) 0.045065116 - 3.530555639
286 RY*(1)C5 s(1.12%)p81.57(91.55%)d6.53(7.33%) 0.726100451 - 1.111281885
287 RY*(2)C5 s(31.66%)p2.06(65.14%)d0.10(3.20%) 0.072957153 - 1.728444700
288 RY*(3)C5 s(0.28%)p99.99(87.49%)d43.68(12.23%) 0.778165178 - 0.761002531
289 RY*(4)C5 s(53.86%)p0.74(40.12%)d0.11(6.02%) 1.089760565 - 1.510574660
290 RY*(5)C5 s(33.07%)p1.61(53.12%)d0.42(13.81%) 0.303790200 - 1.360281561
291 RY*(6)C5 s(1.48%)p55.33(81.99%)d11.15(16.52%) 0.361621168 - 0.938372591
292 RY*(7)C5 s(30.94%)p1.53(47.22%)d0.71(21.83%) 0.062707137 - 1.912784773
293 RY*(8)C5 s(12.20%)p1.45(17.69%)d5.75(70.11%) 0.025788159 - 2.961766503
294 RY*(9)C5 s(21.69%)p2.77(60.17%)d0.84(18.14%) -0.825314202 - 1.896773169
295 RY*(10)C5 s(4.18%)p6.12(25.62%)d16.77(70.19%) 2.447125487 - 2.522493304
296 RY*(11)C5 s(0.10%)p99.99(13.33%)d99.99(86.57%) 0.277192518 - 1.748632093
297 RY*(12)C5 s(1.51%)p49.71(74.84%)d15.71(23.65%) 2.755045961 - 1.374909563
298 RY*(13)C5 s(1.04%)p31.28(32.65%)d63.54(66.31%) 1.328178140 - 2.326980218
299 RY*(14)C5 s(6.52%)p10.94(71.27%)d3.41(22.21%) 12.628201286 - -1.621953196
300 RY*(15)C5 s(3.39%)p3.21(10.89%)d25.28(85.72%) 1.322175228 - 2.699780198
301 RY*(16)C5 s(1.74%)p48.05(83.67%)d8.37(14.59%) 4.544144085 - 0.746991579
302 RY*(17)C5 s(0.90%)p8.27(7.46%)d99.99(91.64%) 0.049153327 - 2.687067752
303 RY*(18)C5 s(0.28%)p25.91(7.28%)d99.99(92.44%) 0.119833397 - 2.592349029
304 RY*(19)C5 s(0.07%)p79.75(5.46%)d99.99(94.47%) 0.180841233 - 1.179259997
305 RY*(20)C5 s(0.07%)p99.99(20.73%)d99.99(79.20%) 0.846213758 - 2.589378365
306 RY*(21)C5 s(90.64%)p0.02(2.22%)d0.08(7.15%) 0.533499673 - 18.700969379
307 RY*(22)C5 s(3.28%)p0.08(0.28%)d29.44(96.45%) 0.067929536 - 4.352416545
308 RY*(1)C6 s(3.02%)p30.77(92.88%)d1.36(4.10%) 0.817715104 - 2.234345569
309 RY*(2)C6 s(0.61%)p99.99(93.36%)d9.84(6.03%) 0.087960719 - 1.782323683
310 RY*(3)C6 s(1.64%)p35.77(58.70%)d24.16(39.65%) 0.217034932 - 1.789049126
311 RY*(4)C6 s(62.89%)p0.22(13.93%)d0.37(23.19%) 0.601845383 - 1.250091727
312 RY*(5)C6 s(2.48%)p27.59(68.54%)d11.66(28.98%) 1.907815423 - 1.102682326
313 RY*(6)C6 s(2.72%)p16.69(45.46%)d19.03(51.82%) 5.034222017 - -0.016568948
314 RY*(7)C6 s(2.88%)p15.35(44.16%)d18.41(52.96%) 0.420057024 - 1.949611817
315 RY*(8)C6 s(35.24%)p0.62(21.94%)d1.22(42.82%) 23.561899335 - -6.716707499
316 RY*(9)C6 s(46.60%)p0.42(19.65%)d0.72(33.75%) 38.818275116 - -11.837962773
317 RY*(10)C6 s(1.38%)p30.71(42.26%)d40.95(56.36%) 1.281542255 - 1.366027703
318 RY*(11)C6 s(22.26%)p2.25(50.04%)d1.25(27.71%) 1.169095556 - 2.545242009
319 RY*(12)C6 s(3.47%)p4.08(14.18%)d23.71(82.35%) 1.523763669 - 1.439834881
320 RY*(13)C6 s(2.06%)p2.91(5.97%)d44.73(91.97%) 0.593876974 - 3.056551524
321 RY*(14)C6 s(2.48%)p1.70(4.22%)d37.64(93.30%) -0.376207455 - 2.330187164
322 RY*(15)C6 s(5.67%)p1.48(8.38%)d15.17(85.95%) 3.808851270 - 1.876218339
323 RY*(16)C6 s(9.17%)p1.51(13.83%)d8.40(77.00%) 1.016258536 - 3.419099299
324 RY*(17)C6 s(31.05%)p0.07(2.09%)d2.15(66.86%) 0.557119351 - 7.433321838
325 RY*(18)C6 s(64.33%)p0.01(0.61%)d0.54(35.06%) 0.592870335 - 11.383065262
326 RY*(19)C6 s(0.11%)p2.39(0.25%)d99.99(99.64%) 0.596832941 - 3.008722701
327 RY*(1)N7 s(0.44%)p99.99(97.10%)d5.59(2.46%) 0.017084959 - 0.907035926
328 RY*(2)N7 s(9.59%)p9.08(87.06%)d0.35(3.35%) 0.161814312 - 1.698810984
329 RY*(3)N7 s(0.23%)p99.99(95.86%)d16.89(3.91%) -0.001844089 - 1.302612315
330 RY*(4)N7 s(76.02%)p0.27(20.49%)d0.05(3.49%) 0.036073282 - 1.734079680
331 RY*(5)N7 s(8.81%)p9.36(82.46%)d0.99(8.74%) 0.016834235 - 1.414897494
332 RY*(6)N7 s(1.81%)p50.32(90.97%)d3.99(7.22%) 0.515899147 - 0.895054773
333 RY*(7)N7 s(0.84%)p32.73(27.48%)d85.37(71.68%) -0.055744427 - 2.490837714
334 RY*(8)N7 s(79.39%)p0.03(2.35%)d0.23(18.26%) -0.037176799 - 1.553907648
335 RY*(9)N7 s(0.67%)p70.37(47.15%)d77.88(52.18%) 0.031563471 - 2.265436889
336 RY*(10)N7 s(11.89%)p0.86(10.27%)d6.54(77.84%) 0.225463741 - 2.191664591
337 RY*(11)N7 s(0.83%)p23.53(19.46%)d96.39(79.71%) -0.014695122 - 3.167800411
338 RY*(12)N7 s(4.46%)p6.79(30.25%)d14.65(65.29%) 0.033650046 - 2.633876773
339 RY*(13)N7 s(2.05%)p10.50(21.55%)d37.23(76.39%) 0.027597807 - 2.383596042
340 RY*(14)N7 s(0.35%)p56.35(19.73%)d99.99(79.92%) 0.029629607 - 3.922261902
341 RY*(15)N7 s(1.75%)p20.54(35.95%)d35.60(62.30%) 0.103018134 - 3.815468757
342 RY*(16)N7 s(0.42%)p31.56(13.40%)d99.99(86.17%) 0.097037514 - 2.643827430
343 RY*(17)N7 s(0.38%)p99.99(40.44%)d99.99(59.18%) 0.167447638 - 3.800236711
344 RY*(18)N7 s(0.78%)p51.33(39.93%)d76.21(59.29%) 0.166949621 - 4.578663737
345 RY*(19)N7 s(0.39%)p54.47(21.51%)d99.99(78.09%) 0.068466308 - 4.164485200
346 RY*(20)N7 s(98.71%)p0.00(0.46%)d0.01(0.82%) 0.178668105 - 34.555455002
347 RY*(21)N7 s(0.08%)p99.99(95.82%)d50.64(4.10%) -0.065707741 - 3.720322423
348 RY*(22)N7 s(0.27%)p1.42(0.38%)d99.99(99.35%) 0.082144323 - 4.535167793
349 RY*(1)C8 s(1.99%)p47.34(94.02%)d2.01(3.99%) 0.813298599 - 2.224488147
350 RY*(2)C8 s(10.68%)p7.66(81.83%)d0.70(7.49%) 0.007957549 - 2.359428102
351 RY*(3)C8 s(8.70%)p10.28(89.39%)d0.22(1.91%) 0.254188839 - 0.481195702
352 RY*(4)C8 s(31.92%)p1.58(50.42%)d0.55(17.66%) -1.185588370 - 0.795066601
353 RY*(5)C8 s(1.20%)p12.14(14.56%)d70.25(84.24%) -0.127052962 - 1.536613095
354 RY*(6)C8 s(1.20%)p64.03(77.04%)d18.09(21.76%) 0.142894205 - 0.838055305
355 RY*(7)C8 s(21.90%)p1.33(29.01%)d2.24(49.09%) 0.266346674 - 2.162148141
356 RY*(8)C8 s(3.14%)p5.36(16.83%)d25.51(80.03%) -0.099276999 - 1.352242779
357 RY*(9)C8 s(0.32%)p99.99(45.27%)d99.99(54.41%) 0.325670255 - 1.524276968
358 RY*(10)C8 s(12.66%)p0.88(11.16%)d6.02(76.18%) 2.264641601 - 2.587422244
359 RY*(11)C8 s(1.09%)p10.00(10.88%)d80.96(88.04%) 0.679739308 - 1.867754584
360 RY*(12)C8 s(11.99%)p2.54(30.43%)d4.80(57.58%) -0.108021726 - 3.426195996
361 RY*(13)C8 s(8.73%)p3.14(27.44%)d7.31(63.83%) 0.112970525 - 2.276815004
362 RY*(14)C8 s(14.77%)p0.55(8.18%)d5.22(77.05%) 3.986813298 - 1.052378885
363 RY*(15)C8 s(49.68%)p0.07(3.45%)d0.94(46.88%) 26.300425881 - -8.273487434
364 RY*(16)C8 s(29.01%)p0.28(8.15%)d2.17(62.84%) 11.920747976 - 1.206767271
365 RY*(17)C8 s(89.63%)p0.01(1.08%)d0.10(9.29%) 5.412171386 - 13.829441722
366 RY*(18)C8 s(0.78%)p0.73(0.57%)d99.99(98.66%) 0.063523808 - 3.795063650
367 RY*(19)C8 s(0.60%)p1.39(0.83%)d99.99(98.57%) 0.302410140 - 2.143024204
368 RY*(1)C9 s(0.16%)p99.99(90.23%)d58.40(9.61%) 0.078272451 - 1.172647060
369 RY*(2)C9 s(40.80%)p1.37(55.80%)d0.08(3.40%) 0.098093964 - 1.693184278
370 RY*(3)C9 s(0.38%)p99.99(81.11%)d49.11(18.52%) 0.365443364 - 0.868613138
371 RY*(4)C9 s(45.21%)p0.91(41.05%)d0.30(13.74%) 0.100166886 - 1.089716329
372 RY*(5)C9 s(1.21%)p57.07(68.94%)d24.72(29.86%) 0.168865018 - 1.114932347
373 RY*(6)C9 s(2.45%)p11.49(28.14%)d28.34(69.41%) 0.045632754 - 2.537354627
374 RY*(7)C9 s(3.32%)p9.36(31.07%)d19.77(65.61%) 0.299295837 - 2.313399706
375 RY*(8)C9 s(3.56%)p12.89(45.96%)d14.16(50.48%) -0.113515437 - 0.108824747
376 RY*(9)C9 s(2.91%)p6.78(19.73%)d26.58(77.36%) 0.473845614 - 0.953222514
377 RY*(10)C9 s(3.06%)p16.36(50.00%)d15.36(46.94%) 0.311202234 - 1.867614171
378 RY*(11)C9 s(10.04%)p3.25(32.66%)d5.71(57.30%) 1.715194593 - 1.789314017
379 RY*(12)C9 s(1.14%)p25.43(28.89%)d61.58(69.97%) 0.827301728 - 2.073521816
380 RY*(13)C9 s(52.66%)p0.31(16.55%)d0.58(30.78%) 5.330466662 - -0.250447357
381 RY*(14)C9 s(1.81%)p36.99(66.79%)d17.39(31.41%) 0.078284078 - 3.010376094
382 RY*(15)C9 s(21.69%)p1.14(24.77%)d2.47(53.54%) 2.572271003 - 1.189768816
383 RY*(16)C9 s(1.65%)p46.21(76.31%)d13.35(22.04%) 0.238165409 - 1.697116623
384 RY*(17)C9 s(13.65%)p3.47(47.34%)d2.86(39.02%) 1.350197664 - 3.025449570
385 RY*(18)C9 s(1.62%)p13.69(22.22%)d46.91(76.15%) 0.130173047 - 3.236749126
386 RY*(19)C9 s(90.63%)p0.08(7.19%)d0.02(2.18%) 0.048789104 - 20.471897569
387 RY*(20)C9 s(0.41%)p54.66(22.30%)d99.99(77.29%) 0.006626544 - 3.474812736
388 RY*(21)C9 s(0.84%)p31.06(26.19%)d86.55(72.97%) 0.002642155 - 3.401792897
389 RY*(22)C9 s(0.64%)p26.81(17.22%)d99.99(82.14%) 0.217173378 - 3.201671292
390 RY*(1)C10 s(0.39%)p99.99(91.06%)d21.88(8.55%) 0.053182259 - 1.297153219
391 RY*(2)C10 s(0.07%)p99.99(99.46%)d7.15(0.48%) 0.079338950 - 1.261462212
392 RY*(3)C10 s(1.88%)p29.51(55.39%)d22.77(42.74%) -0.030293413 - 0.539018133
393 RY*(4)C10 s(6.59%)p4.83(31.78%)d9.36(61.63%) 0.621624723 - 1.620124642
394 RY*(5)C10 s(29.34%)p0.55(16.16%)d1.86(54.50%) 0.091050327 - 1.961281262
395 RY*(6)C10 s(29.30%)p0.90(26.36%)d1.51(44.34%) 0.177429860 - 1.563642224
396 RY*(7)C10 s(58.27%)p0.08(4.51%)d0.64(37.22%) 5.721309776 - -0.574259785
397 RY*(8)C10 s(28.70%)p1.38(39.60%)d1.10(31.70%) 0.831360709 - 2.172463353
398 RY*(9)C10 s(4.50%)p8.64(38.85%)d12.60(56.65%) -0.189794489 - 1.867941461
399 RY*(10)C10 s(11.76%)p1.96(23.00%)d5.55(65.24%) -1.574508671 - 2.022405673
400 RY*(11)C10 s(24.65%)p0.91(22.35%)d2.15(52.99%) 1.019730629 - 3.396870311
401 RY*(12)C10 s(0.38%)p99.99(79.79%)d52.55(19.84%) 0.034936716 - 1.229801422
402 RY*(13)C10 s(11.33%)p4.79(54.27%)d3.04(34.40%) -0.005411807 - 3.951110157
403 RY*(14)C10 s(8.79%)p9.11(80.06%)d1.27(11.15%) -2.792116664 - 1.064839764
404 RY*(15)C10 s(0.96%)p23.84(22.90%)d79.27(76.14%) 0.254851300 - 2.351903876
405 RY*(16)C10 s(0.68%)p26.16(17.86%)d99.99(81.45%) 0.120021728 - 3.104414801
406 RY*(17)C10 s(7.79%)p10.12(78.82%)d1.72(13.39%) -0.291320837 - 3.581734989
407 RY*(18)C10 s(5.22%)p2.10(10.95%)d16.06(83.83%) 0.226903523 - 3.073268073
408 RY*(19)C10 s(57.60%)p0.65(37.45%)d0.09(4.94%) -0.509068831 - 13.027902413
409 RY*(20)C10 s(1.90%)p8.73(16.63%)d42.77(81.46%) 0.158410104 - 2.932805612
410 RY*(21)C10 s(1.40%)p22.17(31.01%)d48.33(67.59%) -0.174001219 - 1.149002634
411 RY*(22)C10 s(8.63%)p2.54(21.92%)d8.05(69.45%) 0.375949261 - 4.231115259
412 RY*(1)C11 s(0.70%)p99.99(91.00%)d11.84(8.30%) -0.029005415 - 1.213870472
413 RY*(2)C11 s(0.40%)p99.99(99.28%)d0.79(0.32%) 0.022135704 - 1.205295038
414 RY*(3)C11 s(0.19%)p99.99(92.88%)d37.32(6.93%) 0.083453545 - 0.308410677
415 RY*(4)C11 s(41.84%)p0.08(3.38%)d1.31(54.78%) 0.001420331 - 1.992492783
416 RY*(5)C11 s(6.53%)p5.23(34.17%)d9.09(59.31%) -0.016570715 - 2.162865310
417 RY*(6)C11 s(0.31%)p2.57(0.80%)d99.99(98.88%) 0.018925176 - 3.028541074
418 RY*(7)C11 s(37.87%)p0.15(5.77%)d1.49(56.35%) -0.005551975 - 1.306824245
419 RY*(8)C11 s(80.59%)p0.02(1.37%)d0.22(18.04%) 0.351956927 - 0.791226738
420 RY*(9)C11 s(27.02%)p1.36(36.81%)d1.34(36.18%) -0.041272307 - 6.600061243
421 RY*(10)C11 s(0.58%)p99.99(64.88%)d59.92(34.55%) 0.071322274 - 0.771011668
422 RY*(11)C11 s(5.40%)p3.08(16.66%)d14.43(77.94%) 0.199440000 - 1.814074529
423 RY*(12)C11 s(8.91%)p1.96(17.48%)d8.26(73.61%) 0.014684381 - 3.343434167
424 RY*(13)C11 s(2.19%)p41.76(91.60%)d2.83(6.20%) -0.016250162 - 3.188511726
425 RY*(14)C11 s(8.47%)p2.30(19.48%)d8.51(72.05%) -0.033869734 - 4.466352934
426 RY*(15)C11 s(60.76%)p0.63(38.30%)d0.02(0.94%) 0.865832165 - 13.782268173
427 RY*(16)C11 s(6.48%)p3.75(24.30%)d10.67(69.21%) 0.192759114 - 2.731848830
428 RY*(17)C11 s(0.09%)p99.99(32.79%)d99.99(67.12%) 0.000113977 - 1.196533222
429 RY*(18)C11 s(2.36%)p10.98(25.90%)d30.40(71.74%) 0.029323419 - 3.282030189
430 RY*(19)C11 s(2.29%)p37.63(86.19%)d5.03(11.52%) -1.148406608 - 0.438985664
431 RY*(20)C11 s(0.97%)p19.38(18.79%)d82.78(80.24%) -0.007844279 - 2.735994388
432 RY*(21)C11 s(3.72%)p24.98(93.01%)d0.88(3.26%) -0.015266444 - 3.059277926
433 RY*(22)C11 s(2.45%)p2.17(5.32%)d37.68(92.23%) -0.025579443 - 2.384781814
434 RY*(1)C12 s(0.16%)p99.99(89.60%)d62.12(10.24%) 0.054763174 - 1.118626372
435 RY*(2)C12 s(0.90%)p99.99(95.62%)d3.85(3.48%) 0.052119425 - 1.172674139
436 RY*(3)C12 s(10.72%)p6.23(66.76%)d2.10(22.52%) 0.608467825 - 1.241450689
437 RY*(4)C12 s(2.52%)p15.61(39.39%)d23.01(58.08%) 0.122248525 - 0.960551580
438 RY*(5)C12 s(71.38%)p0.27(19.03%)d0.13(9.59%) -0.707411517 - 1.291605396
439 RY*(6)C12 s(2.97%)p21.46(63.85%)d11.15(33.18%) 0.428263761 - 1.082908592
440 RY*(7)C12 s(17.51%)p3.39(59.37%)d1.32(23.12%) 0.973035641 - 2.925453304
441 RY*(8)C12 s(2.40%)p26.65(63.89%)d14.06(33.71%) -0.109965844 - 1.702743815
442 RY*(9)C12 s(12.65%)p0.99(12.57%)d5.91(74.77%) 0.066620925 - 1.839077095
443 RY*(10)C12 s(10.38%)p1.23(12.73%)d7.41(76.90%) 0.455422197 - 2.669932028
444 RY*(11)C12 s(30.36%)p0.98(29.73%)d1.31(39.92%) 1.084604021 - 1.859424770
445 RY*(12)C12 s(9.16%)p6.95(63.64%)d2.97(27.21%) 0.975211411 - 0.600988129
446 RY*(13)C12 s(16.19%)p2.37(38.31%)d2.81(45.50%) 0.376556849 - 0.975559236
447 RY*(14)C12 s(28.52%)p1.83(52.18%)d0.68(19.30%) 0.235448820 - 6.765571379
448 RY*(15)C12 s(8.27%)p2.58(21.35%)d8.51(70.38%) 0.321503201 - 2.212299572
449 RY*(16)C12 s(1.34%)p6.94(9.32%)d66.48(89.34%) 0.076272715 - 3.367712992
450 RY*(17)C12 s(60.14%)p0.60(35.80%)d0.07(4.05%) 0.144055538 - 13.106055057
451 RY*(18)C12 s(0.34%)p12.83(4.37%)d99.99(95.29%) 0.000217365 - 3.076458744
452 RY*(19)C12 s(1.41%)p20.90(29.41%)d49.17(69.19%) 1.563593038 - 2.204248385
453 RY*(20)C12 s(0.85%)p16.97(14.38%)d99.99(84.77%) -0.524189527 - 2.735371557
454 RY*(21)C12 s(11.92%)p6.23(74.22%)d1.16(13.86%) 0.023713298 - 4.908078186
455 RY*(22)C12 s(0.13%)p34.51(4.60%)d99.99(95.27%) 0.004058264 - 2.908881410
456 RY*(1)C13 s(0.67%)p99.99(92.76%)d9.85(6.57%) 0.279204731 - 1.421520429
457 RY*(2)C13 s(13.06%)p6.50(84.92%)d0.15(2.02%) -0.111505793 - 1.776451644
458 RY*(3)C13 s(0.06%)p99.99(85.66%)d99.99(14.27%) 2.215468428 - 0.187943868
459 RY*(4)C13 s(44.86%)p0.52(23.55%)d0.70(31.58%) 0.431787463 - 1.413287914
460 RY*(5)C13 s(18.49%)p1.96(36.24%)d2.45(45.27%) 4.152434360 - 0.769544286
461 RY*(6)C13 s(0.57%)p70.55(40.37%)d99.99(59.06%) 0.030264311 - 1.406996174
462 RY*(7)C13 s(16.26%)p0.11(1.72%)d5.04(82.02%) -0.231166834 - 2.646312970
463 RY*(8)C13 s(11.21%)p3.62(40.54%)d4.30(48.24%) 1.058422652 - 1.677043656
464 RY*(9)C13 s(4.48%)p17.99(80.59%)d3.33(14.93%) 0.129848564 - 1.154048785
465 RY*(10)C13 s(5.03%)p9.61(48.29%)d9.29(46.69%) 1.067672722 - 2.264166420
466 RY*(11)C13 s(41.94%)p0.27(11.51%)d1.11(46.54%) 1.652885065 - 1.069575715
467 RY*(12)C13 s(12.67%)p1.82(23.01%)d5.07(64.31%) 0.352663054 - 4.506840488
468 RY*(13)C13 s(4.98%)p2.51(12.48%)d16.59(82.54%) 0.148581112 - 3.727361469
469 RY*(14)C13 s(14.72%)p4.88(71.85%)d0.91(13.42%) 0.163412808 - 5.799471669
470 RY*(15)C13 s(11.08%)p0.67(7.45%)d7.35(81.46%) 0.062881759 - 3.596756669
471 RY*(16)C13 s(9.08%)p5.53(50.17%)d4.49(40.75%) 0.122615548 - 2.527145337
472 RY*(17)C13 s(9.63%)p4.81(46.35%)d4.57(44.01%) 0.366644225 - 4.663150192
473 RY*(18)C13 s(26.95%)p1.71(45.97%)d1.00(27.08%) 0.133130316 - 4.897367528
474 RY*(19)C13 s(0.24%)p8.28(1.98%)d99.99(97.78%) 0.028025545 - 3.537406542
475 RY*(20)C13 s(0.52%)p74.44(38.94%)d99.99(60.54%) 0.147422827 - 2.958693232
476 RY*(21)C13 s(0.18%)p89.91(16.28%)d99.99(83.54%) 0.263233300 - 1.340737641
477 RY*(22)C13 s(53.32%)p0.74(39.53%)d0.13(7.14%) 0.272623096 - 11.634063297
478 RY*(1)C14 s(0.54%)p99.99(95.86%)d6.71(3.61%) -0.008668747 - 1.165900304
479 RY*(2)C14 s(3.16%)p29.92(94.60%)d0.71(2.24%) 0.078331610 - 1.651992530
480 RY*(3)C14 s(63.59%)p0.43(27.28%)d0.14(9.13%) 0.564027566 - 1.113794652
481 RY*(4)C14 s(20.26%)p3.00(60.72%)d0.94(19.03%) 2.332911161 - 0.123813035
482 RY*(5)C14 s(15.96%)p2.24(35.80%)d3.02(48.24%) 0.028157995 - 1.747882289
483 RY*(6)C14 s(2.35%)p8.25(19.42%)d33.22(78.22%) 0.183611977 - 1.822000389
484 RY*(7)C14 s(2.27%)p6.32(14.35%)d36.73(83.38%) 0.075898115 - 1.821912522
485 RY*(8)C14 s(3.05%)p26.15(79.64%)d5.68(17.31%) 1.526273903 - 0.370355419
486 RY*(9)C14 s(5.41%)p14.45(78.16%)d3.04(16.43%) 0.666969575 - 1.515214815
487 RY*(10)C14 s(8.22%)p3.32(27.26%)d7.85(64.52%) 0.176763259 - 2.862562877
488 RY*(11)C14 s(19.01%)p1.47(27.90%)d2.79(53.08%) 0.673381600 - 4.426792399
489 RY*(12)C14 s(13.23%)p0.57(7.52%)d5.99(79.24%) 2.084093290 - 2.695791156
490 RY*(13)C14 s(9.08%)p2.16(19.59%)d7.86(71.33%) 0.891544792 - 4.000855011
491 RY*(14)C14 s(34.38%)p0.69(23.61%)d1.22(42.01%) 5.749955082 - 1.276001535
492 RY*(15)C14 s(8.36%)p3.89(32.51%)d7.08(59.13%) 0.860887709 - 2.771503444
493 RY*(16)C14 s(2.07%)p17.21(35.55%)d30.20(62.38%) 0.033010091 - 3.228084454
494 RY*(17)C14 s(8.17%)p5.78(47.23%)d5.46(44.60%) 0.036841441 - 3.613669146
495 RY*(18)C14 s(1.14%)p8.56(9.76%)d78.15(89.10%) 0.182377190 - 3.272941664
496 RY*(19)C14 s(4.86%)p9.95(48.35%)d9.63(46.79%) 0.532946361 - 2.061619310
497 RY*(20)C14 s(9.51%)p8.66(82.35%)d0.86(8.15%) 1.278513398 - 2.707006299
498 RY*(21)C14 s(65.10%)p0.33(21.30%)d0.21(13.59%) 0.812284268 - 14.732191575
499 RY*(22)C14 s(0.34%)p33.14(11.39%)d99.99(88.27%) 0.381697218 - 3.045388720
500 RY*(1)C15 s(3.33%)p27.78(92.61%)d1.22(4.06%) 0.020337672 - 2.006328786
501 RY*(2)C15 s(4.91%)p18.27(89.69%)d1.10(5.40%) 0.022033579 - 2.206679091
502 RY*(3)C15 s(17.05%)p4.50(76.77%)d0.36(6.18%) 0.030996665 - 1.547798880
503 RY*(4)C15 s(15.10%)p4.36(65.92%)d1.26(18.97%) 0.014187897 - 0.969331237
504 RY*(5)C15 s(22.89%)p2.23(50.96%)d1.14(26.15%) 0.259215385 - 1.074849386
505 RY*(6)C15 s(2.51%)p7.33(18.38%)d31.52(79.11%) 0.320459503 - 1.581869328
506 RY*(7)C15 s(3.92%)p10.18(39.90%)d14.33(56.18%) 0.216369440 - 1.567075403
507 RY*(8)C15 s(31.13%)p0.45(13.99%)d1.76(54.88%) 0.416161329 - 2.228124353
508 RY*(9)C15 s(5.31%)p3.98(21.13%)d13.84(73.56%) 0.006705149 - 2.735939012
509 RY*(10)C15 s(0.65%)p5.17(3.34%)d99.99(96.01%) 0.003741272 - 3.061325780
510 RY*(11)C15 s(1.23%)p17.26(21.15%)d63.34(77.62%) 0.622195755 - 1.875293317
511 RY*(12)C15 s(54.12%)p0.15(8.04%)d0.70(37.83%) 2.568375253 - 0.616682194
512 RY*(13)C15 s(8.50%)p2.65(22.54%)d8.11(68.96%) -0.119267490 - 2.421405162
513 RY*(14)C15 s(18.44%)p1.18(21.78%)d3.24(59.78%) 0.166625328 - 2.162900068
514 RY*(15)C15 s(9.10%)p0.79(7.18%)d9.19(83.71%) 0.805465583 - 3.457875040
515 RY*(16)C15 s(5.57%)p7.23(40.28%)d9.72(54.15%) 0.088297404 - 2.167518262
516 RY*(17)C15 s(95.15%)p0.02(1.76%)d0.03(3.08%) -2.276012721 - 18.211329440
517 RY*(18)C15 s(0.86%)p1.99(1.71%)d99.99(97.43%) -0.344023320 - 3.039754174
518 RY*(19)C15 s(0.20%)p17.03(3.34%)d99.99(96.47%) 0.033581022 - 2.801014958
519 RY*(1)C16 s(0.36%)p99.99(89.49%)d28.46(10.15%) 0.250051673 - 1.095720938
520 RY*(2)C16 s(41.68%)p1.32(54.81%)d0.08(3.51%) -0.042315287 - 1.705940914
521 RY*(3)C16 s(0.27%)p99.99(79.09%)d76.82(20.64%) 1.691623509 - 0.419769391
522 RY*(4)C16 s(45.91%)p0.92(42.34%)d0.26(11.75%) 0.081526835 - 1.073992906
523 RY*(5)C16 s(5.44%)p4.96(26.98%)d12.42(67.57%) 0.222039035 - 1.869315326
524 RY*(6)C16 s(0.24%)p99.99(45.69%)d99.99(54.07%) 0.017829043 - 1.067233840
525 RY*(7)C16 s(8.74%)p3.95(34.56%)d6.49(56.70%) 0.784489666 - 2.406564531
526 RY*(8)C16 s(1.45%)p54.28(78.88%)d13.53(19.66%) 1.717208364 - 1.161090703
527 RY*(9)C16 s(12.22%)p3.09(37.77%)d4.09(50.01%) 0.380156059 - 1.559712443
528 RY*(10)C16 s(14.50%)p3.54(51.37%)d2.35(34.13%) 5.626397122 - -0.613213442
529 RY*(11)C16 s(3.75%)p16.61(62.29%)d9.06(33.96%) 0.017697271 - 1.523634246
530 RY*(12)C16 s(0.10%)p99.99(39.39%)d99.99(60.52%) 0.223069004 - 1.761971379
531 RY*(13)C16 s(17.86%)p1.48(26.46%)d3.12(55.68%) 0.137848948 - 1.894972175
532 RY*(14)C16 s(36.72%)p0.86(31.67%)d0.86(31.60%) 1.930059919 - 2.093358599
533 RY*(15)C16 s(1.17%)p12.47(14.53%)d72.36(84.31%) 0.364535708 - 2.412129376
534 RY*(16)C16 s(0.85%)p5.72(4.86%)d99.99(94.30%) 0.412843911 - 3.439657681
535 RY*(17)C16 s(1.62%)p42.43(68.92%)d18.13(29.45%) 0.266946476 - 2.571965675
536 RY*(18)C16 s(0.61%)p32.58(20.00%)d99.99(79.39%) 0.190167102 - 3.512973753
537 RY*(19)C16 s(90.37%)p0.08(7.16%)d0.03(2.48%) 0.756754704 - 19.303191336
538 RY*(20)C16 s(0.19%)p45.93(8.55%)d99.99(91.27%) 0.632315469 - 3.234147682
539 RY*(21)C16 s(0.38%)p30.75(11.80%)d99.99(87.82%) 0.141670414 - 3.550916356
540 RY*(22)C16 s(15.39%)p4.15(63.87%)d1.35(20.74%) 1.103447196 - 3.507860367
541 RY*(1)C17 s(0.71%)p99.99(92.11%)d10.17(7.18%) -0.001213320 - 0.930843231
542 RY*(2)C17 s(7.87%)p11.47(90.27%)d0.24(1.86%) -0.068920685 - 1.162856883
543 RY*(3)C17 s(0.73%)p90.01(65.61%)d46.18(33.66%) 0.002822801 - 0.881945175
544 RY*(4)C17 s(4.05%)p16.30(65.93%)d7.42(30.03%) 0.108494693 - 0.581492968
545 RY*(5)C17 s(11.35%)p4.24(48.16%)d3.57(40.49%) 0.242850804 - 2.204532309
546 RY*(6)C17 s(70.09%)p0.13(9.22%)d0.30(20.69%) -0.328036162 - 1.311683118
547 RY*(7)C17 s(6.66%)p6.24(41.54%)d7.78(51.80%) -0.340241399 - 0.942300377
548 RY*(8)C17 s(67.20%)p0.22(14.88%)d0.27(17.92%) 3.218423998 - 0.247264951
549 RY*(9)C17 s(20.07%)p1.75(35.17%)d2.23(44.77%) 0.250400185 - 2.965068923
550 RY*(10)C17 s(3.86%)p6.59(25.42%)d18.33(70.72%) -0.024291624 - 2.583879882
551 RY*(11)C17 s(3.06%)p7.09(21.67%)d24.62(75.27%) 0.987714537 - 2.047773071
552 RY*(12)C17 s(1.31%)p55.89(73.14%)d19.52(25.55%) -0.145797939 - 1.104005835
553 RY*(13)C17 s(0.52%)p38.75(20.34%)d99.99(79.13%) 0.013029287 - 1.214402527
554 RY*(14)C17 s(0.79%)p8.31(6.56%)d99.99(92.65%) 0.164982190 - 2.876979560
555 RY*(15)C17 s(3.39%)p14.98(50.81%)d13.51(45.80%) -1.531105788 - 0.993892535
556 RY*(16)C17 s(0.47%)p32.41(15.24%)d99.99(84.29%) 0.142015270 - 3.336216953
557 RY*(17)C17 s(90.31%)p0.06(5.09%)d0.05(4.60%) 0.010938932 - 20.369918558
558 RY*(18)C17 s(0.88%)p7.72(6.80%)d99.99(92.32%) -0.076138891 - 3.013222364
559 RY*(19)C17 s(0.82%)p99.99(94.00%)d6.34(5.18%) -0.031519184 - 2.569568153
560 RY*(20)C17 s(0.80%)p23.80(19.14%)d99.53(80.05%) -0.071971981 - 3.172259130
561 RY*(21)C17 s(4.83%)p19.20(92.74%)d0.50(2.43%) 0.458926897 - 3.078734906
562 RY*(22)C17 s(0.28%)p22.54(6.41%)d99.99(93.30%) 0.008529130 - 3.085811478
563 RY*(1)C18 s(0.69%)p99.99(95.09%)d6.14(4.22%) 0.032470875 - 0.724840874
564 RY*(2)C18 s(0.08%)p99.99(92.62%)d91.25(7.30%) 0.009699582 - 0.357762707
565 RY*(3)C18 s(60.97%)p0.13(7.69%)d0.51(31.33%) 0.069862028 - 1.160059119
566 RY*(4)C18 s(8.31%)p10.46(86.93%)d0.57(4.76%) -0.028250110 - 0.838586396
567 RY*(5)C18 s(2.74%)p7.71(21.09%)d27.85(76.18%) 0.078578212 - 1.851348300
568 RY*(6)C18 s(0.24%)p11.64(2.76%)d99.99(97.00%) -0.037550326 - 2.435091297
569 RY*(7)C18 s(23.94%)p1.99(47.57%)d1.19(28.48%) 0.639012980 - 2.657672962
570 RY*(8)C18 s(47.46%)p0.10(4.81%)d1.01(47.73%) 1.094789210 - 0.843226861
571 RY*(9)C18 s(31.33%)p0.14(4.36%)d2.05(64.31%) 0.785705930 - 2.312149108
572 RY*(10)C18 s(8.80%)p5.31(46.75%)d5.05(44.45%) 0.288430683 - 2.819164267
573 RY*(11)C18 s(4.71%)p12.72(59.85%)d7.53(35.44%) 0.083322484 - 2.899460981
574 RY*(12)C18 s(0.46%)p99.99(72.97%)d58.32(26.57%) 0.196363217 - 1.996607546
575 RY*(13)C18 s(11.98%)p1.61(19.28%)d5.74(68.74%) 0.000448339 - 1.890101510
576 RY*(14)C18 s(0.68%)p2.01(1.36%)d99.99(97.96%) 0.006332604 - 2.461895141
577 RY*(15)C18 s(95.09%)p0.03(2.59%)d0.02(2.32%) 0.013450460 - 21.495382834
578 RY*(16)C18 s(0.47%)p3.12(1.46%)d99.99(98.07%) -0.014693595 - 3.452452595
579 RY*(17)C18 s(1.59%)p3.17(5.03%)d58.85(93.38%) 0.022664793 - 2.972398906
580 RY*(18)C18 s(0.05%)p99.99(20.09%)d99.99(79.85%) 0.000572137 - 1.625230304
581 RY*(19)C18 s(0.44%)p19.30(8.53%)d99.99(91.03%) -0.005416123 - 3.094241358
582 RY*(1)C19 s(0.85%)p99.99(92.50%)d7.79(6.65%) -0.036498343 - 0.723791160
583 RY*(2)C19 s(43.27%)p1.22(52.85%)d0.09(3.88%) -0.103922394 - 1.612183458
584 RY*(3)C19 s(0.11%)p99.99(56.75%)d99.99(43.13%) 0.002937519 - 1.150870740
585 RY*(4)C19 s(41.21%)p0.75(30.80%)d0.68(27.99%) 0.003674528 - 2.116146122
586 RY*(5)C19 s(7.03%)p7.70(54.19%)d5.51(38.78%) 0.006452197 - 2.760029341
587 RY*(6)C19 s(7.82%)p3.94(30.83%)d7.84(61.35%) 0.195876286 - 0.977127421
588 RY*(7)C19 s(26.24%)p0.56(14.69%)d2.25(59.07%) 0.097778449 - 1.545125138
589 RY*(8)C19 s(4.28%)p12.10(51.85%)d10.24(43.87%) 0.013959489 - 3.036314724
590 RY*(9)C19 s(0.80%)p31.14(24.80%)d93.41(74.40%) 0.002875932 - 2.682760238
591 RY*(10)C19 s(10.58%)p1.17(12.41%)d7.28(77.01%) 0.011295295 - 1.691765750
592 RY*(11)C19 s(29.05%)p0.28(8.12%)d2.16(62.83%) 0.094643814 - 2.151680684
593 RY*(12)C19 s(4.76%)p0.54(2.57%)d19.46(92.67%) 0.056312893 - 2.447262843
594 RY*(13)C19 s(0.33%)p16.57(5.44%)d99.99(94.23%) 0.006529815 - 3.529215049
595 RY*(14)C19 s(4.58%)p12.74(58.34%)d8.10(37.08%) -0.000210851 - 2.985243029
596 RY*(15)C19 s(8.07%)p1.47(11.87%)d9.92(80.06%) 0.025277240 - 3.047657644
597 RY*(16)C19 s(93.24%)p0.06(5.76%)d0.01(1.00%) 0.013228628 - 20.714005899
598 RY*(17)C19 s(10.26%)p5.12(52.52%)d3.63(37.22%) 0.004627534 - 2.337251563
599 RY*(18)C19 s(0.66%)p39.61(26.20%)d99.99(73.14%) 0.019254367 - 2.042306908
600 RY*(19)C19 s(6.77%)p1.18(8.02%)d12.58(85.21%) 0.287612311 - 2.820032673
601 RY*(1)H20 s(95.68%)p0.05(4.32%) -0.000417673 - 2.223507230
602 RY*(2)H20 s(0.02%)p99.99(99.98%) 0.000890121 - 1.960180809
603 RY*(3)H20 s(4.24%)p22.56(95.76%) -0.032520214 - 2.799294513
604 RY*(4)H20 s(0.08%)p99.99(99.92%) 0.000839398 - 2.669798130
605 RY*(1)H21 s(92.49%)p0.08(7.51%) 0.000982738 - 1.196783248
606 RY*(2)H21 s(98.56%)p0.01(1.44%) 0.008534608 - 1.951148705
607 RY*(3)H21 s(0.02%)p99.99(99.98%) 0.022891719 - 1.531927488
608 RY*(4)H21 s(8.19%)p11.21(91.81%) 0.087698678 - 2.433621787
609 RY*(5)H21 s(0.80%)p99.99(99.20%) 0.002208077 - 2.695597497
610 RY*(1)H22 s(92.87%)p0.08(7.13%) 0.025056341 - 1.209473760
611 RY*(2)H22 s(90.04%)p0.11(9.96%) -0.068587133 - 1.787373599
612 RY*(3)H22 s(1.95%)p50.33(98.05%) 0.004605742 - 1.914285831
613 RY*(4)H22 s(10.13%)p8.87(89.87%) 0.002668225 - 2.664930483
614 RY*(5)H22 s(5.05%)p18.81(94.95%) 0.018919642 - 2.605377339
615 RY*(1)H23 s(98.78%)p0.01(1.22%) 6.074179764 - -0.573173648
616 RY*(2)H23 s(97.69%)p0.02(2.31%) 1.557036686 - 1.844500157
617 RY*(3)H23 s(0.74%)p99.99(99.26%) 0.115671672 - 1.963972934
618 RY*(4)H23 s(0.22%)p99.99(99.78%) 0.005510650 - 2.897828843
619 RY*(5)H23 s(2.61%)p37.34(97.39%) -0.039327073 - 2.612409253
620 RY*(1)H24 s(95.19%)p0.05(4.81%) 0.005195432 - 2.361842283
621 RY*(2)H24 s(0.10%)p99.99(99.90%) 0.006683279 - 1.958356694
622 RY*(3)H24 s(4.73%)p20.13(95.27%) 0.022165984 - 2.878845878
623 RY*(4)H24 s(0.00%)p1.00(100.00%) 0.005048044 - 2.666755410
624 RY*(1)H25 s(99.32%)p0.01(0.68%) 0.009922591 - 1.024831193
625 RY*(2)H25 s(0.85%)p99.99(99.15%) 0.007596537 - 1.905608760
626 RY*(3)H25 s(92.24%)p0.08(7.76%) 0.020444778 - 2.099153151
627 RY*(4)H25 s(7.24%)p12.81(92.76%) -0.027581072 - 2.681297056
628 RY*(5)H25 s(0.39%)p99.99(99.61%) 0.005551301 - 2.490925574
629 RY*(1)H26 s(99.70%)p0.00(0.30%) -0.017856966 - 1.076067669
630 RY*(2)H26 s(0.22%)p99.99(99.78%) 0.028287571 - 1.775473507
631 RY*(3)H26 s(98.97%)p0.01(1.03%) 0.020748339 - 2.052316412
632 RY*(4)H26 s(0.35%)p99.99(99.65%) 0.008170526 - 2.729283018
633 RY*(5)H26 s(0.81%)p99.99(99.19%) 0.003442789 - 2.727933684
634 RY*(1)H27 s(98.79%)p0.01(1.21%) 0.080725148 - 0.568774334
635 RY*(2)H27 s(95.15%)p0.05(4.85%) 0.006581341 - 2.356389015
636 RY*(3)H27 s(0.14%)p99.99(99.86%) 0.002229078 - 1.989842063
637 RY*(4)H27 s(4.94%)p19.26(95.06%) 0.034298098 - 2.673988731
638 RY*(5)H27 s(1.01%)p98.01(98.99%) 0.017160697 - 2.932938990
639 RY*(1)C28 s(19.13%)p4.22(80.80%)d0.00(0.07%) 0.035495372 - 1.050006467
640 RY*(2)C28 s(0.16%)p99.99(96.03%)d23.93(3.81%) -0.014522917 - 0.854698145
641 RY*(3)C28 s(73.50%)p0.31(22.65%)d0.05(3.85%) 0.349817584 - 1.122760019
642 RY*(4)C28 s(2.38%)p20.53(48.95%)d20.41(48.66%) 3.471708458 - 1.093913271
643 RY*(5)C28 s(2.69%)p15.56(41.92%)d20.56(55.39%) -0.292866701 - 1.766072270
644 RY*(6)C28 s(12.53%)p5.02(62.89%)d1.96(24.58%) -0.075033953 - 0.995649632
645 RY*(7)C28 s(20.33%)p3.11(63.24%)d0.81(16.43%) -4.094147400 - 1.184066553
646 RY*(8)C28 s(32.19%)p1.81(58.15%)d0.30(9.66%) -13.335132301 - -0.767265808
647 RY*(9)C28 s(2.06%)p18.11(37.33%)d29.41(60.61%) 1.483825431 - 1.462046129
648 RY*(10)C28 s(35.21%)p1.68(58.99%)d0.16(5.80%) 0.827944659 - 5.410221120
649 RY*(11)C28 s(14.34%)p2.41(34.58%)d3.56(51.08%) 2.943109185 - 0.853347925
650 RY*(12)C28 s(1.71%)p19.41(33.12%)d38.20(65.18%) 0.042267849 - 2.153369608
651 RY*(13)C28 s(70.51%)p0.37(26.24%)d0.05(3.26%) 0.056118590 - 15.766464475
652 RY*(14)C28 s(0.84%)p31.70(26.61%)d86.42(72.55%) 0.291135952 - 2.736892260
653 RY*(15)C28 s(1.71%)p55.29(94.28%)d2.35(4.01%) 0.036670340 - 2.475365172
654 RY*(16)C28 s(0.13%)p99.99(22.86%)d99.99(77.01%) 0.279831152 - 2.551813018
655 RY*(17)C28 s(4.96%)p4.18(20.70%)d15.00(74.34%) 0.571048913 - 2.936633318
656 RY*(18)C28 s(0.12%)p27.51(3.29%)d99.99(96.59%) 0.020381209 - 3.217355046
657 RY*(19)C28 s(0.86%)p2.29(1.98%)d99.99(97.16%) 0.094700368 - 3.115569348
658 RY*(20)C28 s(3.85%)p13.30(51.23%)d11.66(44.92%) 0.044364820 - 2.748337080
659 RY*(21)C28 s(0.25%)p22.57(5.73%)d99.99(94.01%) 0.139951708 - 2.955775518
660 RY*(22)C28 s(0.37%)p23.71(8.80%)d99.99(90.83%) -1.029680467 - 3.134206115
661 RY*(1)N29 s(79.60%)p0.22(17.18%)d0.04(3.22%) 0.007891545 - 2.006797210
662 RY*(2)N29 s(1.84%)p46.56(85.73%)d6.75(12.43%) 0.065354340 - 0.663206742
663 RY*(3)N29 s(68.89%)p0.40(27.44%)d0.05(3.67%) 1.691768875 - 0.554036148
664 RY*(4)N29 s(1.98%)p38.34(76.10%)d11.04(21.91%) 0.053707681 - 0.806507197
665 RY*(5)N29 s(1.30%)p66.11(86.18%)d9.60(12.52%) 0.322617690 - 1.090530597
666 RY*(6)N29 s(1.25%)p52.01(65.21%)d26.75(33.54%) 0.235055032 - 1.139231460
667 RY*(7)N29 s(9.55%)p4.57(43.64%)d4.90(46.81%) 0.452743965 - 0.996811700
668 RY*(8)N29 s(16.12%)p4.09(65.94%)d1.11(17.94%) 0.478914518 - 1.222703803
669 RY*(9)N29 s(0.67%)p48.56(32.30%)d99.99(67.04%) 0.188153156 - 1.114162414
670 RY*(10)N29 s(7.55%)p2.87(21.63%)d9.38(70.82%) 0.237400464 - 1.862661348
671 RY*(11)N29 s(1.76%)p23.27(40.86%)d32.69(57.39%) 0.008059005 - 1.671889778
672 RY*(12)N29 s(4.75%)p10.32(49.01%)d9.74(46.24%) 0.243267006 - 0.946132633
673 RY*(13)N29 s(2.69%)p33.52(90.11%)d2.68(7.20%) 0.105622458 - 3.805807877
674 RY*(14)N29 s(0.12%)p19.54(2.38%)d99.99(97.49%) -0.022997270 - 4.553026371
675 RY*(15)N29 s(0.35%)p17.63(6.24%)d99.99(93.41%) 0.018549034 - 1.302998195
676 RY*(16)N29 s(0.04%)p36.16(1.55%)d99.99(98.40%) 0.001207900 - 4.560822439
677 RY*(17)N29 s(99.69%)p0.00(0.13%)d0.00(0.18%) 0.001274544 - 35.025785459
678 RY*(18)N29 s(0.23%)p8.98(2.05%)d99.99(97.72%) 0.032572960 - 4.815072143
679 RY*(19)N29 s(0.19%)p99.99(97.84%)d10.11(1.96%) 0.023060789 - 3.837219284
680 RY*(20)N29 s(0.85%)p3.67(3.12%)d99.99(96.04%) 0.030642203 - 4.797722667
681 RY*(21)N29 s(0.34%)p99.99(84.90%)d43.04(14.76%) 0.042410358 - 3.543242338
682 RY*(22)N29 s(0.22%)p8.80(1.96%)d99.99(97.82%) 0.009424544 - 4.627228811
683 RY*(1)H30 s(98.45%)p0.02(1.55%) 0.442487951 - 1.827700893
684 RY*(2)H30 s(0.08%)p99.99(99.92%) 0.008029181 - 1.966032481
685 RY*(3)H30 s(86.93%)p0.15(13.07%) 1.100203340 - 1.307766989
686 RY*(4)H30 s(0.22%)p99.99(99.78%) -0.010346969 - 2.721336695
687 RY*(5)H30 s(14.35%)p5.97(85.65%) 1.240408436 - 2.195916709
688 RY*(1)C31 s(18.55%)p4.39(81.39%)d0.00(0.06%) -0.410305959 - 0.609524544
689 RY*(2)C31 s(0.08%)p99.99(96.24%)d44.27(3.67%) 0.873481821 - 0.664516945
690 RY*(3)C31 s(22.22%)p1.22(27.04%)d2.28(50.73%) 0.043016128 - 1.681273417
691 RY*(4)C31 s(56.26%)p0.40(22.69%)d0.37(21.05%) -0.281528636 - 1.335009685
692 RY*(5)C31 s(63.14%)p0.34(21.16%)d0.25(15.70%) 18.860216670 - -2.054107314
693 RY*(6)C31 s(12.37%)p6.38(78.86%)d0.71(8.77%) 3.182670179 - 0.105153219
694 RY*(7)C31 s(0.43%)p99.99(67.69%)d74.52(31.88%) -1.957993632 - 1.147104355
695 RY*(8)C31 s(15.37%)p4.07(62.57%)d1.43(22.05%) 0.985717591 - 3.852146572
696 RY*(9)C31 s(6.26%)p3.01(18.83%)d11.96(74.91%) -0.099165190 - 1.252080112
697 RY*(10)C31 s(0.72%)p42.13(30.32%)d95.83(68.96%) -1.425639878 - 1.779080099
698 RY*(11)C31 s(1.74%)p40.29(70.26%)d16.05(27.99%) -0.019768873 - 0.885521786
699 RY*(12)C31 s(0.71%)p99.99(90.50%)d12.38(8.79%) -7.827723382 - 0.977506400
700 RY*(13)C31 s(8.64%)p3.31(28.63%)d7.26(62.73%) -6.023027197 - 5.314088401
701 RY*(14)C31 s(19.30%)p0.92(17.72%)d3.26(62.98%) 2.275796833 - 4.815350032
702 RY*(15)C31 s(15.37%)p2.64(40.66%)d2.86(43.97%) 2.670224777 - 4.198145490
703 RY*(16)C31 s(0.81%)p99.99(92.76%)d7.97(6.43%) -4.703851762 - 2.438989761
704 RY*(17)C31 s(49.58%)p0.41(20.18%)d0.61(30.24%) 0.131786643 - 11.498555652
705 RY*(18)C31 s(0.15%)p34.57(5.17%)d99.99(94.68%) 0.260025134 - 3.009685700
706 RY*(19)C31 s(5.13%)p1.91(9.80%)d16.57(85.07%) 2.409798077 - 3.194694634
707 RY*(20)C31 s(1.69%)p8.40(14.18%)d49.82(84.13%) -0.142558323 - 3.363748082
708 RY*(21)C31 s(0.05%)p14.59(0.79%)d99.99(99.15%) -0.612700167 - 3.152359773
709 RY*(22)C31 s(1.24%)p2.35(2.91%)d77.43(95.85%) 0.225085149 - 3.219235573
710 RY*(1)N32 s(79.61%)p0.21(17.10%)d0.04(3.28%) 0.196824191 - 2.086526259
711 RY*(2)N32 s(0.80%)p99.99(91.43%)d9.71(7.77%) 0.247622714 - 0.304908747
712 RY*(3)N32 s(60.19%)p0.62(37.45%)d0.04(2.36%) 0.933029043 - 1.060967279
713 RY*(4)N32 s(2.62%)p28.73(75.26%)d8.44(22.12%) 0.325153374 - 0.693524578
714 RY*(5)N32 s(1.65%)p57.97(95.49%)d1.74(2.86%) 0.139586675 - 0.929167381
715 RY*(6)N32 s(7.41%)p7.95(58.91%)d4.55(33.68%) -0.919095154 - 1.120306738
716 RY*(7)N32 s(3.10%)p6.18(19.19%)d25.03(77.71%) 0.120389587 - 0.793675356
717 RY*(8)N32 s(23.49%)p2.78(65.37%)d0.47(11.14%) 1.372605648 - 0.616818309
718 RY*(9)N32 s(4.44%)p19.06(84.59%)d2.47(10.97%) 0.090392834 - 1.018053558
719 RY*(10)N32 s(3.77%)p4.60(17.35%)d20.90(78.87%) 0.255084540 - 1.673461925
720 RY*(11)N32 s(1.40%)p24.23(33.97%)d46.09(64.63%) -1.218176677 - 1.675548665
721 RY*(12)N32 s(5.84%)p3.07(17.92%)d13.04(76.24%) 0.897662715 - 1.309284419
722 RY*(13)N32 s(2.93%)p29.68(86.84%)d3.50(10.24%) 0.084822219 - 3.687884303
723 RY*(14)N32 s(0.13%)p7.03(0.91%)d99.99(98.96%) -0.026407560 - 4.275192507
724 RY*(15)N32 s(0.69%)p10.49(7.26%)d99.99(92.05%) 0.292551668 - 1.247249434
725 RY*(16)N32 s(0.27%)p9.68(2.63%)d99.99(97.10%) 0.065871410 - 4.620237861
726 RY*(17)N32 s(99.64%)p0.00(0.11%)d0.00(0.25%) 0.085844113 - 34.854402883
727 RY*(18)N32 s(0.30%)p4.74(1.40%)d99.99(98.30%) 0.093733675 - 4.719605089
728 RY*(19)N32 s(0.15%)p99.99(98.12%)d11.72(1.74%) 0.113285739 - 3.807010625
729 RY*(20)N32 s(0.62%)p2.53(1.58%)d99.99(97.80%) -0.103220641 - 4.742412308
730 RY*(21)N32 s(0.81%)p99.99(86.59%)d15.46(12.60%) 0.653013057 - 3.304536085
731 RY*(22)N32 s(0.13%)p15.08(2.00%)d99.99(97.86%) 0.018533296 - 4.686080249
732 RY*(1)N33 s(0.40%)p99.99(99.40%)d0.52(0.21%) 0.192158713 - 0.429522256
733 RY*(2)N33 s(8.44%)p10.42(87.94%)d0.43(3.62%) 0.395774779 - 1.536831490
734 RY*(3)N33 s(0.33%)p99.99(97.40%)d6.85(2.27%) 0.412514769 - 1.126877845
735 RY*(4)N33 s(38.38%)p1.36(52.02%)d0.25(9.60%) 0.470990082 - 1.691012195
736 RY*(5)N33 s(0.10%)p99.99(91.73%)d80.77(8.17%) 0.572504827 - 1.177619522
737 RY*(6)N33 s(60.87%)p0.60(36.43%)d0.04(2.70%) 1.792058350 - 0.616810651
738 RY*(7)N33 s(42.25%)p0.23(9.70%)d1.14(48.05%) 0.318192634 - 1.914170509
739 RY*(8)N33 s(0.58%)p80.31(46.77%)d90.41(52.65%) 0.089209769 - 1.506852672
740 RY*(9)N33 s(4.44%)p1.78(7.91%)d19.72(87.65%) 0.062260911 - 2.154384484
741 RY*(10)N33 s(2.73%)p12.15(33.22%)d23.43(64.05%) 0.154502622 - 2.286773202
742 RY*(11)N33 s(0.11%)p26.46(2.85%)d99.99(97.04%) 0.182618650 - 3.135795688
743 RY*(12)N33 s(12.77%)p1.24(15.77%)d5.60(71.46%) -0.189708686 - 2.235322731
744 RY*(13)N33 s(21.19%)p0.75(15.96%)d2.97(62.85%) 0.366920776 - 2.451105358
745 RY*(14)N33 s(0.39%)p99.99(55.00%)d99.99(44.61%) 0.364669716 - 3.846553565
746 RY*(15)N33 s(5.15%)p1.49(7.69%)d16.91(87.16%) 0.180352386 - 3.871982406
747 RY*(16)N33 s(1.40%)p45.11(63.08%)d25.40(35.52%) 2.843042651 - 3.003724040
748 RY*(17)N33 s(0.61%)p9.49(5.76%)d99.99(93.63%) 0.149779979 - 2.118805105
749 RY*(18)N33 s(1.25%)p33.39(41.81%)d45.48(56.94%) 1.272775433 - 4.273072071
750 RY*(19)N33 s(0.05%)p99.99(34.67%)d99.99(65.28%) 0.462909109 - 3.930745147
751 RY*(20)N33 s(0.02%)p99.99(93.52%)d99.99(6.45%) 0.972690399 - 3.658004202
752 RY*(21)N33 s(98.42%)p0.00(0.46%)d0.01(1.12%) 0.881782559 - 33.920419852
753 RY*(22)N33 s(0.24%)p4.27(1.03%)d99.99(98.72%) 0.178504369 - 4.518168644
754 RY*(1)C34 s(5.54%)p16.47(91.30%)d0.57(3.16%) 1.077118424 - 1.476166689
755 RY*(2)C34 s(1.18%)p78.45(92.21%)d5.62(6.61%) 0.978971745 - 1.227926983
756 RY*(3)C34 s(24.87%)p2.71(67.34%)d0.31(7.79%) 0.947384605 - 1.850571927
757 RY*(4)C34 s(3.04%)p21.55(65.43%)d10.38(31.53%) 0.243158664 - 0.584003467
758 RY*(5)C34 s(12.05%)p1.96(23.62%)d5.34(64.33%) 2.167601985 - 1.413407682
759 RY*(6)C34 s(25.65%)p1.70(43.66%)d1.20(30.69%) 0.334953117 - 1.276167225
760 RY*(7)C34 s(1.85%)p29.86(55.28%)d23.15(42.87%) -3.045480928 - 1.338492286
761 RY*(8)C34 s(8.58%)p2.74(23.50%)d7.92(67.92%) -2.846301746 - 1.962820120
762 RY*(9)C34 s(14.47%)p2.23(32.21%)d3.69(53.32%) 0.609884450 - 1.513420025
763 RY*(10)C34 s(0.97%)p2.24(2.17%)d99.67(96.86%) 0.597908379 - 2.879139236
764 RY*(11)C34 s(1.31%)p29.51(38.70%)d45.75(59.99%) 0.120381808 - 1.872634268
765 RY*(12)C34 s(11.35%)p1.29(14.62%)d6.52(74.02%) -16.727322181 - 1.712910168
766 RY*(13)C34 s(45.62%)p0.19(8.88%)d1.00(45.49%) 46.962948730 - -1.889025615
767 RY*(14)C34 s(7.07%)p1.41(9.95%)d11.73(82.98%) -6.340685727 - 2.292897592
768 RY*(15)C34 s(9.60%)p1.04(10.01%)d8.38(80.40%) 2.055637483 - 4.364251889
769 RY*(16)C34 s(33.38%)p0.46(15.20%)d1.54(51.41%) 33.323575180 - -1.395225215
770 RY*(17)C34 s(0.07%)p38.13(2.48%)d99.99(97.46%) -0.273305305 - 2.785291761
771 RY*(18)C34 s(0.23%)p6.29(1.47%)d99.99(98.29%) -0.175892071 - 3.226381653
772 RY*(19)C34 s(93.11%)p0.03(2.48%)d0.05(4.41%) 0.551692201 - 19.594724239
773 RY*(1)C35 s(0.24%)p99.99(89.33%)d42.87(10.42%) 6.866703009 - -0.793609799
774 RY*(2)C35 s(43.28%)p1.23(53.43%)d0.08(3.29%) 0.748709637 - 1.465622587
775 RY*(3)C35 s(0.27%)p99.99(79.06%)d75.41(20.67%) 2.592757375 - -0.169964167
776 RY*(4)C35 s(43.95%)p1.01(44.30%)d0.27(11.75%) 1.680853171 - 0.771105643
777 RY*(5)C35 s(6.05%)p4.54(27.49%)d10.99(66.46%) 15.114202529 - -2.302425270
778 RY*(6)C35 s(0.56%)p88.67(49.29%)d90.24(50.16%) 2.368402855 - 0.134533065
779 RY*(7)C35 s(3.03%)p26.52(80.26%)d5.52(16.72%) -1.815445570 - 0.469852737
780 RY*(8)C35 s(9.88%)p4.74(46.84%)d4.38(43.28%) 1.068967842 - 3.160343787
781 RY*(9)C35 s(17.86%)p0.85(15.20%)d3.75(66.94%) 20.056097968 - -5.231214051
782 RY*(10)C35 s(6.44%)p10.37(66.78%)d4.16(26.78%) 4.112007062 - 1.092880828
783 RY*(11)C35 s(7.25%)p6.33(45.90%)d6.46(46.85%) 1.444905229 - 0.374939019
784 RY*(12)C35 s(1.36%)p23.06(31.47%)d49.22(67.17%) 1.617742559 - 1.556175496
785 RY*(13)C35 s(21.80%)p1.02(22.26%)d2.57(55.94%) 4.002779694 - 1.501283642
786 RY*(14)C35 s(0.06%)p99.99(12.99%)d99.99(86.96%) 1.677467789 - 3.047719502
787 RY*(15)C35 s(11.13%)p2.46(27.34%)d5.53(61.53%) 2.877010986 - 2.122481177
788 RY*(16)C35 s(21.70%)p1.21(26.17%)d2.40(52.13%) 1.655521966 - 1.202171640
789 RY*(17)C35 s(2.21%)p29.75(65.81%)d14.46(31.98%) -0.495382450 - 2.276445967
790 RY*(18)C35 s(1.05%)p24.21(25.47%)d69.86(73.48%) 1.900845271 - 2.523290044
791 RY*(19)C35 s(93.01%)p0.05(4.59%)d0.03(2.40%) 0.872367559 - 20.116559754
792 RY*(20)C35 s(0.45%)p31.61(14.36%)d99.99(85.18%) 1.379724403 - 3.040191485
793 RY*(21)C35 s(7.51%)p9.32(69.98%)d3.00(22.51%) 6.521346345 - 1.791847538
794 RY*(22)C35 s(0.71%)p3.06(2.18%)d99.99(97.11%) 0.816626083 - 3.234814933
795 RY*(1)C36 s(0.70%)p99.99(92.11%)d10.31(7.19%) 4.409701016 - -0.001580634
796 RY*(2)C36 s(7.70%)p11.75(90.44%)d0.24(1.87%) 4.009586400 - -0.228506922
797 RY*(3)C36 s(0.45%)p99.99(65.36%)d75.72(34.18%) 1.290882128 - 0.732209826
798 RY*(4)C36 s(3.05%)p21.23(64.76%)d10.55(32.19%) 1.297508415 - 0.321864281
799 RY*(5)C36 s(12.38%)p3.86(47.84%)d3.21(39.78%) 11.004703440 - 0.156489236
800 RY*(6)C36 s(65.37%)p0.13(8.58%)d0.40(26.05%) 0.583580882 - 0.652676710
801 RY*(7)C36 s(8.46%)p4.94(41.81%)d5.88(49.73%) 4.837952756 - 0.492575032
802 RY*(8)C36 s(33.83%)p0.89(29.99%)d1.07(36.17%) 4.583927432 - -0.546016166
803 RY*(9)C36 s(50.21%)p0.58(28.94%)d0.42(20.85%) 22.597957496 - -4.707428907
804 RY*(10)C36 s(2.84%)p11.16(31.67%)d23.08(65.49%) 8.099425357 - 1.377586926
805 RY*(11)C36 s(10.84%)p1.12(12.09%)d7.11(77.07%) -0.460539189 - 0.998357177
806 RY*(12)C36 s(2.92%)p28.75(84.06%)d4.45(13.01%) 23.050103280 - -5.445715632
807 RY*(13)C36 s(0.34%)p99.99(36.93%)d99.99(62.74%) 1.678193114 - 0.725737468
808 RY*(14)C36 s(1.13%)p14.65(16.55%)d72.83(82.32%) 1.165118801 - 3.288006918
809 RY*(15)C36 s(2.17%)p38.08(82.46%)d7.10(15.38%) 2.799438602 - 2.189683869
810 RY*(16)C36 s(0.41%)p54.61(22.61%)d99.99(76.98%) 0.556569487 - 3.039452498
811 RY*(17)C36 s(82.17%)p0.05(4.48%)d0.16(13.35%) 1.861259623 - 18.092447705
812 RY*(18)C36 s(1.96%)p4.67(9.13%)d45.47(88.91%) 5.561167700 - 1.926505327
813 RY*(19)C36 s(3.03%)p29.41(89.14%)d2.58(7.83%) 4.087755202 - 1.741861365
814 RY*(20)C36 s(0.35%)p23.56(8.13%)d99.99(91.52%) 0.123868326 - 2.007252694
815 RY*(21)C36 s(8.25%)p3.51(28.93%)d7.62(62.82%) 1.300616894 - 3.457979040
816 RY*(22)C36 s(1.50%)p2.82(4.22%)d63.05(94.28%) 0.791559164 - 2.746884734
817 RY*(1)C37 s(0.71%)p99.99(95.06%)d5.95(4.23%) 5.081589380 - -0.493614317
818 RY*(2)C37 s(0.13%)p99.99(92.56%)d54.63(7.30%) -0.052599191 - -0.077560680
819 RY*(3)C37 s(60.30%)p0.13(7.97%)d0.53(31.72%) 4.714738676 - 0.963694220
820 RY*(4)C37 s(8.34%)p10.44(87.05%)d0.55(4.61%) 2.920517719 - 0.273515412
821 RY*(5)C37 s(2.73%)p7.78(21.20%)d27.92(76.07%) 7.088318454 - -0.012491491
822 RY*(6)C37 s(0.01%)p1.00(2.60%)d37.44(97.39%) 0.042253095 - 2.062330666
823 RY*(7)C37 s(16.77%)p3.17(53.14%)d1.79(30.09%) 8.178691345 - 1.499496184
824 RY*(8)C37 s(31.49%)p0.20(6.43%)d1.97(62.08%) 3.717163551 - 0.993479710
825 RY*(9)C37 s(34.98%)p0.05(1.87%)d1.80(63.14%) 4.925102545 - 1.649268528
826 RY*(10)C37 s(16.90%)p2.54(42.87%)d2.38(40.23%) 13.183891493 - -2.436218618
827 RY*(11)C37 s(3.92%)p7.63(29.91%)d16.88(66.17%) 1.533412869 - 3.168556905
828 RY*(12)C37 s(14.54%)p4.27(62.16%)d1.60(23.30%) 16.669355665 - -0.544447333
829 RY*(13)C37 s(5.89%)p4.84(28.48%)d11.14(65.63%) 12.612261186 - -0.630509043
830 RY*(14)C37 s(93.35%)p0.01(1.23%)d0.06(5.41%) 0.436076601 - 21.286549528
831 RY*(15)C37 s(5.33%)p5.41(28.85%)d12.35(65.82%) 2.389589300 - 2.050583173
832 RY*(16)C37 s(2.29%)p3.44(7.87%)d39.32(89.85%) 1.117718545 - 3.397888612
833 RY*(17)C37 s(1.85%)p2.61(4.83%)d50.55(93.33%) 0.899680770 - 2.858768077
834 RY*(18)C37 s(0.28%)p78.66(22.26%)d99.99(77.45%) 0.103725800 - 1.660507945
835 RY*(19)C37 s(0.20%)p22.41(4.50%)d99.99(95.30%) 0.400064994 - 3.008289843
836 RY*(1)C38 s(0.83%)p99.99(92.51%)d8.07(6.66%) 1.337056192 - 0.415447294
837 RY*(2)C38 s(43.50%)p1.21(52.64%)d0.09(3.86%) 0.095087051 - 1.341957149
838 RY*(3)C38 s(0.06%)p99.99(56.70%)d99.99(43.24%) 0.008794713 - 1.154511063
839 RY*(4)C38 s(40.70%)p0.77(31.36%)d0.69(27.94%) 0.302186173 - 2.084706812
840 RY*(5)C38 s(7.34%)p7.43(54.59%)d5.18(38.07%) 2.337532315 - 1.789661744
841 RY*(6)C38 s(3.86%)p8.28(31.96%)d16.63(64.18%) 0.551696306 - 0.124681509
842 RY*(7)C38 s(27.72%)p0.41(11.44%)d2.19(60.84%) 5.382614101 - -0.531067913
843 RY*(8)C38 s(3.96%)p11.32(44.87%)d12.91(51.16%) 0.310764692 - 3.236413805
844 RY*(9)C38 s(2.41%)p14.66(35.38%)d25.78(62.20%) 0.451529985 - 2.795022936
845 RY*(10)C38 s(8.50%)p1.01(8.55%)d9.76(82.96%) -0.299816741 - 1.018322380
846 RY*(11)C38 s(29.04%)p0.16(4.75%)d2.28(66.21%) 25.941517680 - -4.851330700
847 RY*(12)C38 s(5.99%)p5.28(31.64%)d10.41(62.37%) 1.651662403 - 3.221993234
848 RY*(13)C38 s(4.51%)p1.17(5.28%)d19.99(90.20%) 0.139078743 - 3.964536863
849 RY*(14)C38 s(6.35%)p9.57(60.81%)d5.17(32.83%) 2.638418966 - 1.842277714
850 RY*(15)C38 s(6.46%)p1.20(7.74%)d13.28(85.80%) 5.322352417 - 1.896642814
851 RY*(16)C38 s(78.91%)p0.12(9.14%)d0.15(11.94%) 0.611795668 - 17.394763153
852 RY*(17)C38 s(14.03%)p3.35(47.01%)d2.78(38.96%) 4.907626159 - 2.081136091
853 RY*(18)C38 s(8.85%)p1.41(12.48%)d8.89(78.67%) 6.413073662 - 1.846883031
854 RY*(19)C38 s(6.89%)p0.24(1.63%)d13.27(91.47%) 2.765722579 - 2.251438416
855 RY*(1)C39 s(0.52%)p99.99(95.82%)d7.03(3.66%) 2.268716989 - 0.597708143
856 RY*(2)C39 s(3.26%)p28.95(94.47%)d0.70(2.27%) -0.158816019 - 1.627279922
857 RY*(3)C39 s(66.84%)p0.37(24.79%)d0.13(8.36%) 0.531940431 - 0.525164327
858 RY*(4)C39 s(18.01%)p3.43(61.74%)d1.12(20.25%) 0.882401127 - 0.379639057
859 RY*(5)C39 s(20.41%)p1.44(29.29%)d2.46(50.30%) 1.091916347 - 1.523194451
860 RY*(6)C39 s(2.12%)p7.02(14.88%)d39.14(83.00%) 0.948783505 - 2.006452351
861 RY*(7)C39 s(1.78%)p9.22(16.38%)d46.04(81.84%) -0.203521987 - 1.292827068
862 RY*(8)C39 s(3.25%)p25.27(82.07%)d4.52(14.69%) 1.185728477 - 0.168196280
863 RY*(9)C39 s(15.13%)p1.93(29.17%)d3.68(55.70%) 3.651100596 - 0.972516407
864 RY*(10)C39 s(18.89%)p2.21(41.76%)d2.08(39.35%) 22.315492374 - -3.866107879
865 RY*(11)C39 s(12.97%)p4.70(60.93%)d2.01(26.10%) 14.823896296 - -1.386236430
866 RY*(12)C39 s(11.05%)p2.49(27.55%)d5.56(61.40%) 11.849752168 - -1.147552432
867 RY*(13)C39 s(19.42%)p1.72(33.38%)d2.43(47.20%) 4.418273633 - 4.155356191
868 RY*(14)C39 s(11.03%)p0.58(6.36%)d7.49(82.61%) -1.771863144 - 2.513727965
869 RY*(15)C39 s(1.72%)p19.49(33.56%)d37.59(64.72%) 2.006718736 - 2.217880173
870 RY*(16)C39 s(3.99%)p8.37(33.40%)d15.70(62.61%) 6.806042309 - 1.497804757
871 RY*(17)C39 s(9.79%)p4.60(45.10%)d4.61(45.11%) 1.925404833 - 3.531071322
872 RY*(18)C39 s(0.98%)p11.75(11.47%)d89.67(87.55%) 0.650017008 - 3.137516141
873 RY*(19)C39 s(7.19%)p7.48(53.79%)d5.42(39.02%) 6.059468417 - 1.341886952
874 RY*(20)C39 s(7.46%)p10.46(78.04%)d1.94(14.50%) 8.698390826 - 0.810959455
875 RY*(21)C39 s(58.56%)p0.26(15.34%)d0.45(26.10%) 2.076715972 - 12.294225002
876 RY*(22)C39 s(5.68%)p1.91(10.86%)d14.69(83.46%) 2.298984962 - 3.253728646
877 RY*(1)C40 s(0.54%)p99.99(92.72%)d12.46(6.74%) 0.821148509 - 1.214968691
878 RY*(2)C40 s(12.98%)p6.56(85.09%)d0.15(1.93%) 0.294201587 - 1.616495779
879 RY*(3)C40 s(0.20%)p99.99(85.61%)d72.67(14.20%) 1.860914755 - -0.071427798
880 RY*(4)C40 s(44.69%)p0.52(23.19%)d0.72(32.12%) 0.958584594 - 1.273951811
881 RY*(5)C40 s(19.03%)p1.93(36.71%)d2.32(44.25%) 19.623138306 - -3.941648536
882 RY*(6)C40 s(1.37%)p11.34(15.48%)d60.90(83.16%) 0.337265403 - 1.267607411
883 RY*(7)C40 s(17.17%)p0.23(3.95%)d4.60(78.88%) 1.120874624 - 2.617652922
884 RY*(8)C40 s(4.15%)p14.44(59.90%)d8.67(35.95%) 2.617706248 - 0.923327037
885 RY*(9)C40 s(10.47%)p5.20(54.42%)d3.35(35.10%) 4.599550418 - 0.771984501
886 RY*(10)C40 s(2.16%)p33.00(71.43%)d12.20(26.40%) 5.005350244 - -1.046484556
887 RY*(11)C40 s(39.70%)p0.24(9.46%)d1.28(50.84%) 11.098661607 - -1.384129053
888 RY*(12)C40 s(13.00%)p2.62(34.02%)d4.08(52.99%) 2.600693835 - 3.905118265
889 RY*(13)C40 s(5.82%)p2.12(12.33%)d14.06(81.84%) 0.511873844 - 3.219970363
890 RY*(14)C40 s(15.81%)p4.63(73.18%)d0.70(11.01%) 0.582449335 - 5.917799280
891 RY*(15)C40 s(8.48%)p1.79(15.19%)d9.00(76.33%) 1.793831793 - 3.255002491
892 RY*(16)C40 s(8.73%)p5.01(43.75%)d5.45(47.52%) 0.994268555 - 2.265802286
893 RY*(17)C40 s(29.41%)p1.64(48.28%)d0.76(22.31%) 4.778137142 - 3.094616947
894 RY*(18)C40 s(12.46%)p3.22(40.10%)d3.81(47.44%) 1.441051533 - 5.500674672
895 RY*(19)C40 s(0.44%)p7.59(3.32%)d99.99(96.24%) 0.000014877 - 3.311629140
896 RY*(20)C40 s(1.75%)p24.25(42.50%)d31.82(55.75%) -1.079130101 - 3.085958895
897 RY*(21)C40 s(0.12%)p99.99(14.55%)d99.99(85.33%) 0.204729965 - 1.344961697
898 RY*(22)C40 s(51.55%)p0.68(35.00%)d0.26(13.45%) 2.343377966 - 10.851659203
899 RY*(1)C41 s(3.62%)p25.72(93.19%)d0.88(3.19%) 0.354440943 - 2.067100705
900 RY*(2)C41 s(18.01%)p3.95(71.24%)d0.60(10.75%) -0.533362092 - 1.868686774
901 RY*(3)C41 s(1.43%)p67.96(97.50%)d0.75(1.07%) 0.746433522 - 0.707616641
902 RY*(4)C41 s(18.83%)p2.25(42.37%)d2.06(38.80%) 0.049860177 - 1.372418170
903 RY*(5)C41 s(4.44%)p5.19(23.05%)d16.34(72.51%) 0.270983100 - 1.466983191
904 RY*(6)C41 s(2.43%)p33.83(82.34%)d6.25(15.22%) 1.840693193 - 0.592648122
905 RY*(7)C41 s(13.67%)p2.03(27.75%)d4.29(58.58%) 0.228251444 - 2.149255600
906 RY*(8)C41 s(7.86%)p4.06(31.88%)d7.67(60.26%) -0.052846214 - 2.217546780
907 RY*(9)C41 s(4.83%)p9.09(43.84%)d10.64(51.33%) -0.064190461 - 1.661709945
908 RY*(10)C41 s(15.66%)p2.16(33.84%)d3.22(50.50%) 0.050053842 - 2.194558779
909 RY*(11)C41 s(7.64%)p0.70(5.34%)d11.40(87.02%) 0.389442018 - 2.305534907
910 RY*(12)C41 s(6.82%)p1.36(9.27%)d12.30(83.91%) 0.217039828 - 2.515905722
911 RY*(13)C41 s(1.48%)p15.23(22.60%)d51.17(75.92%) 0.007921752 - 3.516485168
912 RY*(14)C41 s(81.89%)p0.03(2.19%)d0.19(15.93%) 5.086454725 - -0.240123491
913 RY*(15)C41 s(4.36%)p0.99(4.32%)d20.97(91.32%) 0.029241086 - 2.636865944
914 RY*(16)C41 s(10.89%)p0.80(8.69%)d7.38(80.42%) 0.113672521 - 4.091907487
915 RY*(17)C41 s(94.23%)p0.00(0.26%)d0.06(5.51%) 0.297490610 - 18.791307764
916 RY*(18)C41 s(1.55%)p0.21(0.32%)d63.38(98.13%) 0.029559835 - 3.518137777
917 RY*(19)C41 s(0.30%)p1.85(0.56%)d99.99(99.14%) 0.012418656 - 2.312420210
918 RY*(1)C42 s(0.12%)p99.99(89.84%)d81.37(10.04%) -0.244167459 - 1.116609549
919 RY*(2)C42 s(42.71%)p1.28(54.46%)d0.07(2.83%) 1.086892047 - 1.348037569
920 RY*(3)C42 s(0.07%)p99.99(80.91%)d99.99(19.02%) 1.773223156 - 0.153781811
921 RY*(4)C42 s(43.73%)p0.97(42.46%)d0.32(13.81%) 0.040149031 - 1.109863594
922 RY*(5)C42 s(0.27%)p99.99(68.17%)d99.99(31.56%) 0.199823683 - 0.942635075
923 RY*(6)C42 s(2.78%)p11.71(32.51%)d23.30(64.71%) -0.078600218 - 3.241099204
924 RY*(7)C42 s(3.66%)p8.57(31.35%)d17.77(64.99%) 0.978324837 - 1.721097166
925 RY*(8)C42 s(5.32%)p3.22(17.16%)d14.56(77.52%) 0.575093559 - 1.173531049
926 RY*(9)C42 s(6.69%)p2.10(14.04%)d11.85(79.27%) 0.710875622 - 1.168845617
927 RY*(10)C42 s(5.36%)p11.18(59.92%)d6.48(34.72%) 5.504160578 - 1.344553273
928 RY*(11)C42 s(18.64%)p2.02(37.62%)d2.35(43.75%) 2.526442187 - 0.495256752
929 RY*(12)C42 s(8.63%)p3.54(30.53%)d7.05(60.84%) 1.315961636 - 1.495600822
930 RY*(13)C42 s(54.86%)p0.32(17.37%)d0.51(27.77%) 2.011889951 - 0.829619125
931 RY*(14)C42 s(3.65%)p16.43(60.01%)d9.94(36.33%) -0.609181105 - 2.040892504
932 RY*(15)C42 s(1.54%)p44.09(67.95%)d19.79(30.51%) -0.312582168 - 3.091265251
933 RY*(16)C42 s(2.27%)p27.26(61.83%)d15.83(35.90%) 1.658833925 - 1.776235627
934 RY*(17)C42 s(1.36%)p28.41(38.76%)d43.90(59.88%) -0.071766110 - 2.564069386
935 RY*(18)C42 s(0.36%)p99.99(44.29%)d99.99(55.35%) 0.292791795 - 3.217666224
936 RY*(19)C42 s(3.85%)p6.79(26.12%)d18.21(70.04%) 0.329936297 - 3.458235963
937 RY*(20)C42 s(92.85%)p0.07(6.08%)d0.01(1.07%) 0.059958348 - 20.816395895
938 RY*(21)C42 s(0.99%)p16.24(16.02%)d84.13(82.99%) 0.158601334 - 3.379706722
939 RY*(22)C42 s(0.13%)p23.64(3.06%)d99.99(96.82%) 0.044413009 - 3.307651896
940 RY*(1)C43 s(0.38%)p99.99(91.05%)d22.28(8.57%) 0.018456014 - 1.327095766
941 RY*(2)C43 s(0.25%)p99.99(99.19%)d2.20(0.55%) -0.000034820 - 1.289028528
942 RY*(3)C43 s(0.63%)p89.23(56.01%)d69.08(43.36%) 0.036620580 - 0.600089255
943 RY*(4)C43 s(0.95%)p32.07(30.49%)d72.12(68.56%) 0.067440453 - 1.955516044
944 RY*(5)C43 s(24.16%)p0.81(19.51%)d2.33(56.33%) 0.225750170 - 1.832050381
945 RY*(6)C43 s(29.39%)p0.72(21.12%)d1.68(49.49%) 0.548398413 - 1.795961044
946 RY*(7)C43 s(26.45%)p1.38(36.45%)d1.40(37.10%) -1.124929745 - 2.214643292
947 RY*(8)C43 s(3.92%)p9.82(38.51%)d14.68(57.57%) 0.415143327 - 2.038698684
948 RY*(9)C43 s(6.23%)p6.21(38.70%)d8.83(55.06%) 0.264254663 - 2.268033561
949 RY*(10)C43 s(29.63%)p0.64(18.83%)d1.74(51.54%) 0.137664067 - 4.287383997
950 RY*(11)C43 s(41.23%)p0.86(35.26%)d0.57(23.50%) 4.781431885 - 0.042609963
951 RY*(12)C43 s(7.00%)p10.66(74.61%)d2.63(18.39%) 3.082736614 - 0.899918410
952 RY*(13)C43 s(8.25%)p7.85(64.78%)d3.27(26.97%) 0.235413572 - 0.785866246
953 RY*(14)C43 s(3.37%)p15.90(53.63%)d12.75(43.00%) 1.121078886 - 2.947615538
954 RY*(15)C43 s(17.17%)p4.64(79.65%)d0.19(3.18%) -2.699117009 - 2.887482414
955 RY*(16)C43 s(0.24%)p33.96(8.19%)d99.99(91.57%) 0.159217656 - 3.469902330
956 RY*(17)C43 s(85.14%)p0.04(3.11%)d0.14(11.75%) 0.192843260 - 17.778822669
957 RY*(18)C43 s(0.20%)p35.62(7.25%)d99.99(92.55%) -0.195359110 - 2.687245680
958 RY*(19)C43 s(12.53%)p5.21(65.33%)d1.77(22.14%) -4.740916378 - 2.312533301
959 RY*(20)C43 s(1.73%)p15.88(27.53%)d40.80(70.73%) -0.795045791 - 1.987095860
960 RY*(21)C43 s(0.65%)p35.37(22.81%)d99.99(76.54%) -0.176685657 - 1.583747035
961 RY*(22)C43 s(0.62%)p13.20(8.16%)d99.99(91.22%) -0.032869451 - 2.620744860
962 RY*(1)C44 s(0.72%)p99.99(90.99%)d11.52(8.29%) 0.017755163 - 1.235166209
963 RY*(2)C44 s(0.45%)p99.99(99.21%)d0.74(0.33%) 0.027414124 - 1.207671984
964 RY*(3)C44 s(0.31%)p99.99(92.78%)d22.04(6.91%) -0.008613194 - 0.346524037
965 RY*(4)C44 s(41.55%)p0.08(3.24%)d1.33(55.21%) -0.072961167 - 1.996976526
966 RY*(5)C44 s(5.72%)p6.05(34.56%)d10.45(59.73%) 0.166918217 - 2.111536748
967 RY*(6)C44 s(0.29%)p5.72(1.64%)d99.99(98.08%) -0.032972417 - 3.016581616
968 RY*(7)C44 s(37.39%)p0.14(5.28%)d1.53(57.33%) -0.035688275 - 1.297659761
969 RY*(8)C44 s(19.08%)p1.44(27.49%)d2.80(53.43%) 0.070015590 - 5.589293795
970 RY*(9)C44 s(29.47%)p0.56(16.50%)d1.83(54.02%) 0.338070677 - 2.584160455
971 RY*(10)C44 s(0.30%)p99.99(70.46%)d98.76(29.24%) 0.024458968 - 0.656143366
972 RY*(11)C44 s(11.25%)p1.38(15.53%)d6.51(73.22%) 0.067283264 - 3.456052668
973 RY*(12)C44 s(48.29%)p0.34(16.39%)d0.73(35.32%) 1.741291862 - 0.977311767
974 RY*(13)C44 s(3.08%)p29.75(91.65%)d1.71(5.27%) 0.391768292 - 3.178828661
975 RY*(14)C44 s(22.17%)p1.05(23.19%)d2.46(54.63%) 0.045674224 - 5.707138421
976 RY*(15)C44 s(55.31%)p0.80(44.03%)d0.01(0.65%) 0.320390980 - 13.172529284
977 RY*(16)C44 s(9.07%)p2.55(23.13%)d7.48(67.80%) -2.449517764 - 2.489246584
978 RY*(17)C44 s(0.82%)p36.41(29.71%)d85.13(69.47%) -0.319719163 - 1.107303070
979 RY*(18)C44 s(1.30%)p16.72(21.66%)d59.45(77.04%) 0.083873258 - 3.171553912
980 RY*(19)C44 s(7.67%)p10.42(79.98%)d1.61(12.35%) 1.023095727 - 0.601630895
981 RY*(20)C44 s(0.92%)p21.02(19.25%)d87.16(79.84%) -1.914179626 - 2.654558068
982 RY*(21)C44 s(3.93%)p23.53(92.40%)d0.93(3.67%) 2.994359016 - 3.003265476
983 RY*(22)C44 s(1.04%)p1.04(1.08%)d93.72(97.87%) 0.019297650 - 1.725166520
984 RY*(1)C45 s(0.17%)p99.99(89.57%)d62.18(10.26%) -0.683116814 - 0.924960911
985 RY*(2)C45 s(0.87%)p99.99(95.84%)d3.79(3.29%) -4.646861473 - 0.323312221
986 RY*(3)C45 s(14.30%)p4.34(62.06%)d1.65(23.64%) 7.413926323 - 1.096844786
987 RY*(4)C45 s(1.69%)p22.73(38.38%)d35.48(59.93%) 0.448137678 - 0.924522223
988 RY*(5)C45 s(74.72%)p0.24(18.25%)d0.09(7.03%) 0.616562693 - 0.958437635
989 RY*(6)C45 s(0.24%)p99.99(64.96%)d99.99(34.80%) -0.138805916 - 1.215341234
990 RY*(7)C45 s(11.81%)p5.31(62.67%)d2.16(25.52%) 1.084926261 - 3.234869648
991 RY*(8)C45 s(1.99%)p31.55(62.78%)d17.71(35.23%) 1.052295366 - 1.527818452
992 RY*(9)C45 s(9.77%)p1.19(11.59%)d8.05(78.64%) 0.853510334 - 2.597041091
993 RY*(10)C45 s(2.81%)p5.17(14.53%)d29.40(82.66%) -0.144642067 - 2.226038412
994 RY*(11)C45 s(19.23%)p2.10(40.31%)d2.10(40.46%) 1.543256079 - 2.783470849
995 RY*(12)C45 s(6.77%)p10.67(72.20%)d3.11(21.03%) -0.388195536 - 0.967242152
996 RY*(13)C45 s(12.51%)p4.17(52.19%)d2.82(35.30%) 0.726517983 - 3.227484819
997 RY*(14)C45 s(21.41%)p1.30(27.87%)d2.37(50.71%) 0.976630079 - 1.845896992
998 RY*(15)C45 s(46.65%)p0.35(16.23%)d0.80(37.12%) 2.063757040 - 2.735572086
999 RY*(16)C45 s(1.36%)p5.94(8.05%)d66.81(90.59%) 0.232057401 - 3.172338676
1000 RY*(17)C45 s(52.77%)p0.78(41.25%)d0.11(5.97%) -0.643348453 - 12.045197437
1001 RY*(18)C45 s(0.23%)p10.13(2.32%)d99.99(97.45%) 0.090706445 - 2.985006398
1002 RY*(19)C45 s(2.88%)p8.27(23.85%)d25.41(73.26%) 0.368001307 - 3.201691136
1003 RY*(20)C45 s(2.31%)p6.88(15.91%)d35.38(81.78%) 0.610479499 - 2.790551804
1004 RY*(21)C45 s(15.60%)p4.74(73.90%)d0.67(10.50%) -0.139939888 - 5.570455751
1005 RY*(22)C45 s(0.14%)p37.29(5.37%)d99.99(94.48%) 0.189174200 - 3.011521994
1006 RY*(1)H46 s(95.16%)p0.05(4.84%) 0.003744968 - 2.375395676
1007 RY*(2)H46 s(0.08%)p99.99(99.92%) 0.001904437 - 1.967020842
1008 RY*(3)H46 s(4.78%)p19.90(95.22%) 0.195993231 - 2.831588913
1009 RY*(4)H46 s(0.00%)p1.00(100.00%) 0.021001017 - 2.677185467
1010 RY*(1)H47 s(99.35%)p0.01(0.65%) 0.168953138 - 0.983500484
1011 RY*(2)H47 s(1.09%)p90.80(98.91%) -0.001315984 - 1.947655074
1012 RY*(3)H47 s(92.24%)p0.08(7.76%) 0.096466386 - 2.141889965
1013 RY*(4)H47 s(6.96%)p13.37(93.04%) 0.037904619 - 2.723844254
1014 RY*(5)H47 s(0.40%)p99.99(99.60%) 0.010269003 - 2.561547792
1015 RY*(1)H48 s(99.71%)p0.00(0.29%) -0.125890307 - 1.056203505
1016 RY*(2)H48 s(0.20%)p99.99(99.80%) 0.003261547 - 1.924194882
1017 RY*(3)H48 s(98.91%)p0.01(1.09%) 0.073313943 - 2.096518014
1018 RY*(4)H48 s(0.51%)p99.99(99.49%) 0.038901618 - 3.309145350
1019 RY*(5)H48 s(0.70%)p99.99(99.30%) 0.034297685 - 3.319819617
1020 RY*(1)H49 s(98.84%)p0.01(1.16%) 0.559221265 - 0.357411959
1021 RY*(2)H49 s(95.87%)p0.04(4.13%) 0.079001110 - 2.988336102
1022 RY*(3)H49 s(0.06%)p99.99(99.94%) 0.183281374 - 1.726196299
1023 RY*(4)H49 s(4.21%)p22.76(95.79%) 0.387748113 - 2.061030089
1024 RY*(5)H49 s(1.04%)p94.75(98.96%) 1.386549246 - 2.362328338
1025 RY*(1)H50 s(95.68%)p0.05(4.32%) 11.259704283 - -4.040002001
1026 RY*(2)H50 s(0.01%)p99.99(99.99%) 0.201734643 - 0.198578840
1027 RY*(3)H50 s(4.24%)p22.58(95.76%) 72.896032812 - -17.713542914
1028 RY*(4)H50 s(0.09%)p99.99(99.91%) 2.999894865 - 0.791952076
1029 RY*(1)H51 s(92.53%)p0.08(7.47%) 13.430181070 - -4.356291729
1030 RY*(2)H51 s(98.53%)p0.01(1.47%) 8.977587308 - -1.668601478
1031 RY*(3)H51 s(0.02%)p99.99(99.98%) 0.297234218 - 0.092506375
1032 RY*(4)H51 s(8.18%)p11.22(91.82%) 54.805319404 - -14.480773277
1033 RY*(5)H51 s(0.78%)p99.99(99.22%) 49.127834942 - -14.284276396
1034 RY*(1)H52 s(93.07%)p0.07(6.93%) 13.149345559 - -0.235536053
1035 RY*(2)H52 s(91.08%)p0.10(8.92%) 5.075059164 - 0.737103989
1036 RY*(3)H52 s(1.40%)p70.43(98.60%) 0.319009755 - 0.482265773
1037 RY*(4)H52 s(9.62%)p9.40(90.38%) 24.018336652 - -5.981081155
1038 RY*(5)H52 s(4.87%)p19.55(95.13%) 59.013580141 - -16.478921450
1039 RY*(1)H53 s(99.32%)p0.01(0.68%) 55.144852581 - -23.449077489
1040 RY*(2)H53 s(96.92%)p0.03(3.08%) 42.924899284 - -14.587907888
1041 RY*(3)H53 s(0.16%)p99.99(99.84%) 0.695801739 - -0.160159690
1042 RY*(4)H53 s(1.71%)p57.60(98.29%) 107.338332872 - -40.173493384
1043 RY*(5)H53 s(1.93%)p50.91(98.07%) 2.112162980 - 1.257634107
1044 RY*(1)H54 s(99.36%)p0.01(0.64%) 123.477764185 - -36.062154320
1045 RY*(2)H54 s(98.86%)p0.01(1.14%) 138.877465312 - -40.837924076
1046 RY*(3)H54 s(0.46%)p99.99(99.54%) 0.771034386 - 1.084763711
1047 RY*(4)H54 s(0.20%)p99.99(99.80%) 0.253062420 - 1.500978935
1048 RY*(5)H54 s(1.14%)p86.70(98.86%) 101.075099115 - -39.308014066
1049 - **********
1050 - **********
1051 - **********
1052 - **********
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1054 - **********
1055 - **********
1056 - **********
1057 - **********
1058 - **********
1059 - **********
1060 - **********
1061 - **********
1062 - **********
1063 - **********
1064 - **********
1065 - **********
1066 - **********
1067 - **********
1068 - **********
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1078 - **********
1079 - **********
1080 - **********

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1, 2 2.044312893 - -0.797034300
2 BD(2)C1-C2 3, 4 1.776416092 - -0.336223608
3 BD(1)C1-C6 5, 6 2.684351501 - -1.104595616
4 BD(1)C1-H54 7, 8 1.564639170 - -0.425157738
5 BD(1)C2-C3 9, 10 1.964778677 - -0.735759548
6 BD(1)C2-N33 11, 12 2.135064629 - -0.864946997
7 BD(1)C3-C4 13, 14 2.489248439 - -0.901174037
8 BD(2)C3-C4 15, 16 2.219948320 - -0.416256007
9 BD(1)C3-C31 17, 18 1.978256971 - -0.751400137
10 BD(1)C4-C5 19, 20 2.007997797 - -0.742865632
11 BD(1)C4-H30 21, 22 2.318467519 - -0.656122626
12 BD(1)C5-C6 23, 24 1.986807166 - -0.724391438
13 BD(2)C5-C6 25, 26 1.627270495 - -0.275799136
14 BD(1)C5-C28 27, 28 2.613286609 - -0.941458106
15 BD(1)C6-N7 29, 30 2.487501003 - -1.027128023
16 BD(1)N7-C8 31, 32 2.193161038 - -0.817790536
17 BD(1)N7-C15 33, 34 1.979938994 - -0.779124853
18 BD(1)C8-C9 35, 36 2.032394756 - -0.724384979
19 BD(1)C8-C13 37, 38 1.980502135 - -0.668427246
20 BD(2)C8-C13 39, 40 1.604217416 - -0.238143704
21 BD(1)C9-C10 41, 42 2.021387368 - -0.710309041
22 BD(2)C9-C10 43, 44 1.711700308 - -0.250081910
23 BD(1)C9-H27 45, 46 2.046991280 - -0.527746503
24 BD(1)C10-C11 47, 48 2.271059081 - -0.774353222
25 BD(1)C10-H26 49, 50 2.523150377 - -0.664573318
26 BD(1)C11-C12 51, 52 2.225466454 - -0.716910148
27 BD(2)C11-C12 53, 54 1.702266283 - -0.252539515
28 BD(1)C11-H25 55, 56 1.980124986 - -0.507541476
29 BD(1)C12-C13 57, 58 2.068470062 - -0.719590045
30 BD(1)C12-H24 59, 60 2.304715561 - -0.629732136
31 BD(1)C13-C14 61, 62 2.269708876 - -0.735625855
32 BD(1)C14-C15 63, 64 1.957381546 - -0.665786781
33 BD(2)C14-C15 65, 66 1.622373689 - -0.242170628
34 BD(1)C14-C19 67, 68 2.193631291 - -0.748530290
35 BD(1)C15-C16 69, 70 2.074183866 - -0.745824915
36 BD(1)C16-C17 71, 72 1.987496798 - -0.704005680
37 BD(2)C16-C17 73, 74 2.043793169 - -0.347930774
38 BD(1)C16-H23 75, 76 2.423918133 - -0.659084391
39 BD(1)C17-C18 77, 78 2.369168318 - -0.829817626
40 BD(1)C17-H22 79, 80 2.008734285 - -0.517061750
41 BD(1)C18-C19 81, 82 2.354239491 - -0.801315075
42 BD(2)C18-C19 83, 84 2.167855663 - -0.390937620
43 BD(1)C18-H21 85, 86 2.466344370 - -0.677124061
44 BD(1)C19-H20 87, 88 1.988218328 - -0.510802699
45 BD(1)C28-N29 89, 90 2.008457579 - -1.081088218
46 BD(2)C28-N29 91, 92 2.105487039 - -0.404714563
47 BD(3)C28-N29 93, 94 1.997056034 - -0.375961137
48 BD(1)C31-N32 95, 96 2.468661168 - -1.208873274
49 BD(2)C31-N32 97, 98 2.403699388 - -0.485603490
50 BD(3)C31-N32 99, 100 2.062250412 - -0.374356640
51 BD(1)N33-C34 101, 102 1.970778285 - -0.752377314
52 BD(1)N33-C41 103, 104 2.041787024 - -0.753996779
53 BD(1)C34-C35 105, 106 2.269100028 - -0.771589306
54 BD(1)C34-C39 107, 108 1.959184022 - -0.663133954
55 BD(2)C34-C39 109, 110 1.603143116 - -0.237399729
56 BD(1)C35-C36 111, 112 2.053073216 - -0.746808670
57 BD(2)C35-C36 113, 114 1.942326766 - -0.318624944
58 BD(1)C35-H53 115, 116 0.988780886 - -0.235240686
59 BD(1)C36-C37 117, 118 2.136130137 - -0.805032079
60 BD(1)C36-H52 119, 120 0.556999061 - -0.102808008
61 BD(1)C37-C38 121, 122 2.061082008 - -0.743593644
62 BD(2)C37-C38 123, 124 2.081489380 - -0.378683414
63 BD(1)C37-H51 125, 126 0.547319410 - -0.097286439
64 BD(1)C38-C39 127, 128 2.059494780 - -0.757462103
65 BD(1)C38-H50 129, 130 1.082203520 - -0.268398373
66 BD(1)C39-C40 131, 132 2.337197270 - -0.778314202
67 BD(1)C40-C41 133, 134 1.956400394 - -0.662787567
68 BD(2)C40-C41 135, 136 1.648899356 - -0.248465670
69 BD(1)C40-C45 137, 138 2.229763856 - -0.776674234
70 BD(1)C41-C42 139, 140 2.439821924 - -0.865271339
71 BD(1)C42-C43 141, 142 1.978879564 - -0.700309914
72 BD(2)C42-C43 143, 144 1.706016883 - -0.255814565
73 BD(1)C42-H49 145, 146 1.950422762 - -0.508426802
74 BD(1)C43-C44 147, 148 1.996355228 - -0.694955322
75 BD(1)C43-H48 149, 150 1.986088132 - -0.506277326
76 BD(1)C44-C45 151, 152 2.284426582 - -0.780737939
77 BD(2)C44-C45 153, 154 1.705802503 - -0.253117831
78 BD(1)C44-H47 155, 156 1.981862837 - -0.507557085
79 BD(1)C45-H46 157, 158 2.091299000 - -0.539698118
80 CR(1)C1 159 2.084106071 - -9.602577747
81 CR(1)C2 160 1.998976790 - -10.121956604
82 CR(1)C3 161 1.999668565 - -10.095665222
83 CR(1)C4 162 2.020845459 - -10.082956831
84 CR(1)C5 163 2.577322261 - -10.257020059
85 CR(1)C6 164 2.184096290 - -10.104350253
86 CR(1)N7 165 1.999360280 - -14.190840512
87 CR(1)C8 166 1.999536820 - -10.077199446
88 CR(1)C9 167 2.000984073 - -10.028196891
89 CR(1)C10 168 2.023536350 - -10.039423002
90 CR(1)C11 169 1.999639803 - -10.025508536
91 CR(1)C12 170 2.006093841 - -10.029211400
92 CR(1)C13 171 2.014287125 - -10.029401354
93 CR(1)C14 172 2.191396318 - -10.093546850
94 CR(1)C15 173 2.000726368 - -10.078781290
95 CR(1)C16 174 2.056746240 - -10.050009839
96 CR(1)C17 175 2.169985340 - -10.080397077
97 CR(1)C18 176 2.432389643 - -10.162923125
98 CR(1)C19 177 1.999337897 - -10.027300826
99 CR(1)C28 178 2.002873070 - -10.100370835
100 CR(1)N29 179 1.999791134 - -14.078168423
101 CR(1)C31 180 2.003469480 - -10.100653486
102 CR(1)N32 181 2.001898726 - -14.078345245
103 CR(1)N33 182 2.085854196 - -14.233690554
104 CR(1)C34 183 2.011094957 - -10.088479721
105 CR(1)C35 184 2.045991666 - -10.074723150
106 CR(1)C36 185 2.084860399 - -10.103303370
107 CR(1)C37 186 2.034370152 - -10.081136713
108 CR(1)C38 187 2.002666617 - -10.078838051
109 CR(1)C39 188 1.999646126 - -10.028026432
110 CR(1)C40 189 2.048849160 - -10.040064212
111 CR(1)C41 190 2.324327618 - -10.156569590
112 CR(1)C42 191 2.461498872 - -10.168043650
113 CR(1)C43 192 2.002770570 - -10.032069849
114 CR(1)C44 193 2.076434709 - -10.048617720
115 CR(1)C45 194 2.339270597 - -10.137469936
116 LP(1)N7 195 2.310642322 - -0.491485464
117 LP(1)N29 196 2.005534408 - -0.548276642
118 LP(1)N32 197 2.372700743 - -0.659404112
119 LP(1)N33 198 2.341602372 - -0.498153666
120 RY*(1)C1 199 15.830119254 - -3.427712660
121 RY*(2)C1 200 1.886344099 - 1.368405079
122 RY*(3)C1 201 9.352201508 - -1.601091569
123 RY*(4)C1 202 1.877136127 - 1.507761517
124 RY*(5)C1 203 2.533825434 - 0.701186068
125 RY*(6)C1 204 12.957897267 - -3.280189858
126 RY*(7)C1 205 20.633081016 - -3.547003282
127 RY*(8)C1 206 4.028873190 - 1.302549440
128 RY*(9)C1 207 7.549642703 - 0.215151144
129 RY*(10)C1 208 1.780261836 - 1.320363524
130 RY*(11)C1 209 2.180140194 - 2.193727135
131 RY*(12)C1 210 20.952215949 - -1.805454484
132 RY*(13)C1 211 2.094500877 - 2.354991733
133 RY*(14)C1 212 2.283921686 - 3.434163103
134 RY*(15)C1 213 11.109172059 - 4.541314727
135 RY*(16)C1 214 0.083857019 - 4.840678290
136 RY*(17)C1 215 1.189278284 - 3.373632145
137 RY*(18)C1 216 0.333975412 - 6.689884722
138 RY*(19)C1 217 1.902328724 - 2.921338011
139 RY*(20)C1 218 1.389772429 - 3.290432394
140 RY*(21)C1 219 0.153016590 - 3.171906154
141 RY*(1)C2 220 3.994005490 - 0.210987826
142 RY*(2)C2 221 0.898499964 - 0.714939430
143 RY*(3)C2 222 1.034408107 - 0.973098320
144 RY*(4)C2 223 3.005788864 - 0.635867951
145 RY*(5)C2 224 1.313060241 - 1.268168444
146 RY*(6)C2 225 0.352104588 - 1.431719174
147 RY*(7)C2 226 4.566197244 - -0.008499690
148 RY*(8)C2 227 3.859991821 - 0.808912699
149 RY*(9)C2 228 0.357170556 - 1.926990940
150 RY*(10)C2 229 21.826226869 - -6.239611540
151 RY*(11)C2 230 0.527680477 - 2.821880535
152 RY*(12)C2 231 0.408074750 - 2.364364002
153 RY*(13)C2 232 3.249566708 - 1.924642664
154 RY*(14)C2 233 0.671743224 - 2.491659602
155 RY*(15)C2 234 0.961252460 - 2.579122534
156 RY*(16)C2 235 1.080148234 - 2.884154774
157 RY*(17)C2 236 2.161590358 - 2.949938032
158 RY*(18)C2 237 0.204039724 - 2.546364865
159 RY*(19)C2 238 0.888743140 - 2.756064740
160 RY*(20)C2 239 2.262859607 - 15.130800173
161 RY*(21)C2 240 0.055705240 - 4.963440651
162 RY*(22)C2 241 0.379082808 - 4.044942365
163 RY*(1)C3 242 0.094267116 - 1.439276732
164 RY*(2)C3 243 0.217715191 - 1.612414589
165 RY*(3)C3 244 0.081189626 - 1.330528913
166 RY*(4)C3 245 0.552442297 - 1.611848620
167 RY*(5)C3 246 3.058493250 - 0.950843703
168 RY*(6)C3 247 0.494858246 - 1.328931457
169 RY*(7)C3 248 1.338215061 - 1.464907072
170 RY*(8)C3 249 0.029001793 - 2.528256014
171 RY*(9)C3 250 4.041706963 - 0.761195622
172 RY*(10)C3 251 0.065128414 - 2.703689206
173 RY*(11)C3 252 1.269990844 - 1.719477788
174 RY*(12)C3 253 0.789910141 - 2.587400217
175 RY*(13)C3 254 1.615556663 - 1.310029212
176 RY*(14)C3 255 0.540393066 - 1.864350884
177 RY*(15)C3 256 0.125753223 - 2.323226679
178 RY*(16)C3 257 2.743866038 - 1.295948636
179 RY*(17)C3 258 0.434828241 - 1.557484367
180 RY*(18)C3 259 0.436960403 - 3.328953278
181 RY*(19)C3 260 0.037072878 - 2.637313781
182 RY*(20)C3 261 0.067177791 - 3.487198660
183 RY*(21)C3 262 0.625254515 - 16.992471139
184 RY*(22)C3 263 0.003253923 - 3.657349040
185 RY*(1)C4 264 0.054426659 - 1.245293098
186 RY*(2)C4 265 0.018908298 - 1.033550876
187 RY*(3)C4 266 0.457969579 - 0.664120330
188 RY*(4)C4 267 0.261569970 - 1.364634666
189 RY*(5)C4 268 0.150455913 - 1.395301869
190 RY*(6)C4 269 0.416754444 - 1.048256314
191 RY*(7)C4 270 0.008171952 - 3.151869197
192 RY*(8)C4 271 0.209659098 - 1.538110285
193 RY*(9)C4 272 0.582523869 - 1.101421108
194 RY*(10)C4 273 3.122669011 - 0.006585723
195 RY*(11)C4 274 0.144476510 - 2.611789898
196 RY*(12)C4 275 0.110114419 - 2.698524714
197 RY*(13)C4 276 0.149380234 - 3.282294655
198 RY*(14)C4 277 0.160789957 - 2.874264286
199 RY*(15)C4 278 0.004381384 - 1.498893383
200 RY*(16)C4 279 0.766140744 - 2.625043809
201 RY*(17)C4 280 0.032956309 - 2.515986244
202 RY*(18)C4 281 0.015783774 - 2.745916741
203 RY*(19)C4 282 0.233711967 - 19.349975787
204 RY*(20)C4 283 0.048519464 - 3.453217357
205 RY*(21)C4 284 0.033281206 - 3.288662996
206 RY*(22)C4 285 0.249201030 - 3.465663233
207 RY*(1)C5 286 0.993548378 - 1.035984760
208 RY*(2)C5 287 0.069861120 - 1.733433937
209 RY*(3)C5 288 0.704437635 - 0.787514296
210 RY*(4)C5 289 1.087094338 - 1.507669500
211 RY*(5)C5 290 0.280464524 - 1.362493591
212 RY*(6)C5 291 0.853199341 - 0.760413047
213 RY*(7)C5 292 0.646970793 - 1.722083454
214 RY*(8)C5 293 0.226103083 - 2.916942479
215 RY*(9)C5 294 1.491419701 - 1.426600819
216 RY*(10)C5 295 2.297152098 - 2.124137096
217 RY*(11)C5 296 1.021773804 - 1.483303344
218 RY*(12)C5 297 3.166168531 - 1.057296962
219 RY*(13)C5 298 0.507913382 - 2.233377092
220 RY*(14)C5 299 10.368699706 - -1.191053118
221 RY*(15)C5 300 2.971342753 - 2.143817447
222 RY*(16)C5 301 5.244140058 - 0.297933597
223 RY*(17)C5 302 0.239488958 - 2.809462348
224 RY*(18)C5 303 0.215530396 - 2.607716754
225 RY*(19)C5 304 0.104559484 - 1.209836251
226 RY*(20)C5 305 0.893629333 - 2.617013415
227 RY*(21)C5 306 0.434615625 - 18.631731408
228 RY*(22)C5 307 0.055046333 - 4.358289147
229 RY*(1)C6 308 0.627700579 - 2.285640717
230 RY*(2)C6 309 0.117363085 - 1.772032344
231 RY*(3)C6 310 0.229422980 - 1.786783168
232 RY*(4)C6 311 0.646633486 - 1.244323164
233 RY*(5)C6 312 2.159052049 - 1.031911581
234 RY*(6)C6 313 5.203791543 - -0.077595499
235 RY*(7)C6 314 0.406561396 - 1.951752828
236 RY*(8)C6 315 23.840468979 - -6.690043399
237 RY*(9)C6 316 38.897518500 - -11.779678992
238 RY*(10)C6 317 1.303571676 - 1.382950586
239 RY*(11)C6 318 2.652212878 - 2.026927315
240 RY*(12)C6 319 0.752973988 - 1.735595800
241 RY*(13)C6 320 0.450913917 - 3.333221953
242 RY*(14)C6 321 1.005397264 - 3.167171423
243 RY*(15)C6 322 4.528986773 - 1.476106098
244 RY*(16)C6 323 1.390856379 - 3.314924901
245 RY*(17)C6 324 0.708953052 - 7.516656787
246 RY*(18)C6 325 1.758815642 - 12.177670512
247 RY*(19)C6 326 0.880086252 - 3.182893120
248 RY*(1)N7 327 0.116045167 - 0.883991930
249 RY*(2)N7 328 0.033683876 - 1.707730424
250 RY*(3)N7 329 0.084023312 - 1.338983109
251 RY*(4)N7 330 0.077882257 - 1.752129143
252 RY*(5)N7 331 0.093689751 - 1.382746451
253 RY*(6)N7 332 0.363268839 - 1.150897354
254 RY*(7)N7 333 0.004096526 - 2.899335043
255 RY*(8)N7 334 0.079572457 - 1.587046699
256 RY*(9)N7 335 0.041614812 - 2.263721085
257 RY*(10)N7 336 0.293587240 - 2.273786780
258 RY*(11)N7 337 0.003612761 - 3.165930604
259 RY*(12)N7 338 0.016101629 - 2.638550089
260 RY*(13)N7 339 0.018790155 - 2.382425165
261 RY*(14)N7 340 0.016524820 - 3.921025704
262 RY*(15)N7 341 0.092778442 - 3.824683396
263 RY*(16)N7 342 0.056928166 - 2.638721048
264 RY*(17)N7 343 0.163611124 - 3.808197957
265 RY*(18)N7 344 0.041843082 - 4.596669366
266 RY*(19)N7 345 0.133888161 - 4.141766098
267 RY*(20)N7 346 0.655673331 - 34.381332820
268 RY*(21)N7 347 0.037039103 - 4.044687299
269 RY*(22)N7 348 0.013369068 - 4.879360173
270 RY*(1)C8 349 0.120718953 - 2.206136669
271 RY*(2)C8 350 0.034598104 - 2.349625317
272 RY*(3)C8 351 0.679042020 - 0.564494615
273 RY*(4)C8 352 0.157672795 - 1.107132728
274 RY*(5)C8 353 0.075902052 - 1.549075049
275 RY*(6)C8 354 0.331751330 - 0.773257319
276 RY*(7)C8 355 0.189490756 - 2.110411022
277 RY*(8)C8 356 1.033400627 - 2.213378879
278 RY*(9)C8 357 0.155737929 - 1.482708206
279 RY*(10)C8 358 3.037531673 - 2.330140975
280 RY*(11)C8 359 0.689721915 - 1.892336389
281 RY*(12)C8 360 0.003240353 - 3.464665969
282 RY*(13)C8 361 0.328515540 - 2.299033437
283 RY*(14)C8 362 4.104118120 - 1.213289247
284 RY*(15)C8 363 26.955466449 - -7.694924044
285 RY*(16)C8 364 11.008966570 - 0.811134997
286 RY*(17)C8 365 6.172200860 - 14.053953280
287 RY*(18)C8 366 0.064439313 - 3.810665532
288 RY*(19)C8 367 0.404602984 - 2.200420689
289 RY*(1)C9 368 0.078652995 - 1.173255159
290 RY*(2)C9 369 0.060544912 - 1.695111744
291 RY*(3)C9 370 0.347637289 - 0.881092534
292 RY*(4)C9 371 0.047480924 - 1.095903389
293 RY*(5)C9 372 0.392629943 - 1.034839540
294 RY*(6)C9 373 0.738767150 - 2.285561177
295 RY*(7)C9 374 0.020533539 - 2.331060092
296 RY*(8)C9 375 1.108565976 - 1.276441628
297 RY*(9)C9 376 0.119668499 - 1.168917113
298 RY*(10)C9 377 0.909853349 - 1.665447789
299 RY*(11)C9 378 1.514575512 - 1.744165383
300 RY*(12)C9 379 0.384675897 - 1.961368541
301 RY*(13)C9 380 5.760350123 - -0.433552703
302 RY*(14)C9 381 0.142931232 - 2.984685576
303 RY*(15)C9 382 2.210288746 - 0.919490935
304 RY*(16)C9 383 0.231324426 - 1.699030471
305 RY*(17)C9 384 1.427780834 - 2.987536663
306 RY*(18)C9 385 0.194290937 - 3.205704981
307 RY*(19)C9 386 0.039794336 - 20.487355815
308 RY*(20)C9 387 0.034964590 - 3.479526426
309 RY*(21)C9 388 0.011084854 - 3.400178110
310 RY*(22)C9 389 0.192483343 - 3.235913595
311 RY*(1)C10 390 0.032709550 - 1.291362785
312 RY*(2)C10 391 0.004450139 - 1.294076300
313 RY*(3)C10 392 0.356969520 - 0.484263156
314 RY*(4)C10 393 0.553176430 - 1.670868539
315 RY*(5)C10 394 0.006937159 - 1.962574560
316 RY*(6)C10 395 0.477669446 - 1.516964482
317 RY*(7)C10 396 5.747353839 - -0.595566509
318 RY*(8)C10 397 0.818209344 - 2.162922362
319 RY*(9)C10 398 0.093663548 - 2.055803231
320 RY*(10)C10 399 1.735964849 - 2.768140547
321 RY*(11)C10 400 2.760891780 - 2.727308861
322 RY*(12)C10 401 0.006684034 - 1.228715331
323 RY*(13)C10 402 0.034005516 - 4.003407061
324 RY*(14)C10 403 0.073882387 - 1.490685540
325 RY*(15)C10 404 0.024554397 - 2.347108314
326 RY*(16)C10 405 0.425941453 - 2.994799660
327 RY*(17)C10 406 0.015628110 - 3.608532775
328 RY*(18)C10 407 0.074694126 - 3.434151289
329 RY*(19)C10 408 0.614514824 - 12.842227847
330 RY*(20)C10 409 0.116131438 - 2.951014529
331 RY*(21)C10 410 0.160714875 - 1.118528034
332 RY*(22)C10 411 0.413652900 - 4.333543619
333 RY*(1)C11 412 0.608430776 - 1.020058221
334 RY*(2)C11 413 0.061443178 - 1.192742894
335 RY*(3)C11 414 0.012992102 - 0.346487806
336 RY*(4)C11 415 0.080720250 - 1.968465099
337 RY*(5)C11 416 0.001659494 - 2.164090912
338 RY*(6)C11 417 0.004033200 - 3.027627712
339 RY*(7)C11 418 0.011911197 - 1.303453435
340 RY*(8)C11 419 0.295177183 - 0.746108289
341 RY*(9)C11 420 0.054428249 - 6.603528721
342 RY*(10)C11 421 0.011056501 - 0.815951046
343 RY*(11)C11 422 0.011052283 - 1.811949410
344 RY*(12)C11 423 0.087247173 - 3.320059459
345 RY*(13)C11 424 0.000717160 - 3.188359502
346 RY*(14)C11 425 0.009749041 - 4.462926670
347 RY*(15)C11 426 0.555097056 - 13.906449505
348 RY*(16)C11 427 0.582077820 - 2.526884087
349 RY*(17)C11 428 0.354577378 - 1.072494249
350 RY*(18)C11 429 0.001603123 - 3.281639249
351 RY*(19)C11 430 0.072828937 - 0.652700187
352 RY*(20)C11 431 0.236293525 - 2.660289154
353 RY*(21)C11 432 0.025278816 - 3.052489118
354 RY*(22)C11 433 0.000530704 - 2.386119484
355 RY*(1)C12 434 0.061959043 - 1.108107399
356 RY*(2)C12 435 0.761699347 - 0.923039365
357 RY*(3)C12 436 0.209299611 - 1.369621101
358 RY*(4)C12 437 0.004953369 - 0.962241842
359 RY*(5)C12 438 0.021877411 - 1.361368935
360 RY*(6)C12 439 0.068951296 - 1.197333934
361 RY*(7)C12 440 0.816250868 - 2.914777161
362 RY*(8)C12 441 0.003102031 - 1.703110372
363 RY*(9)C12 442 0.737414206 - 1.728611402
364 RY*(10)C12 443 0.093865267 - 2.739982071
365 RY*(11)C12 444 0.736398338 - 1.945868469
366 RY*(12)C12 445 1.139196176 - 0.538341261
367 RY*(13)C12 446 1.071276655 - 0.864908264
368 RY*(14)C12 447 0.168361779 - 6.773750330
369 RY*(15)C12 448 0.148542772 - 2.225289706
370 RY*(16)C12 449 0.007801950 - 3.374031394
371 RY*(17)C12 450 0.168901177 - 13.097376817
372 RY*(18)C12 451 0.001244640 - 3.076351410
373 RY*(19)C12 452 0.201757163 - 2.712400151
374 RY*(20)C12 453 0.193016256 - 2.740718444
375 RY*(21)C12 454 0.772893567 - 4.669062091
376 RY*(22)C12 455 0.323094546 - 2.803188035
377 RY*(1)C13 456 0.127400702 - 1.401898706
378 RY*(2)C13 457 0.027663631 - 1.805479961
379 RY*(3)C13 458 3.321694560 - -0.161834632
380 RY*(4)C13 459 0.564622479 - 1.404100880
381 RY*(5)C13 460 3.076053551 - 0.694084752
382 RY*(6)C13 461 0.364777104 - 1.341796189
383 RY*(7)C13 462 0.013243726 - 2.643277117
384 RY*(8)C13 463 0.110793914 - 1.720585563
385 RY*(9)C13 464 0.174054783 - 1.115125351
386 RY*(10)C13 465 1.621204959 - 2.159829569
387 RY*(11)C13 466 1.298491638 - 1.133339832
388 RY*(12)C13 467 0.183179448 - 4.537323779
389 RY*(13)C13 468 0.304172869 - 3.679584958
390 RY*(14)C13 469 0.047725707 - 5.840626690
391 RY*(15)C13 470 0.022494247 - 3.614449562
392 RY*(16)C13 471 0.034244527 - 2.564932038
393 RY*(17)C13 472 0.486117539 - 4.609615914
394 RY*(18)C13 473 0.137075237 - 4.887988998
395 RY*(19)C13 474 0.094297726 - 3.515383549
396 RY*(20)C13 475 0.147154396 - 2.960921469
397 RY*(21)C13 476 0.288410707 - 1.451267877
398 RY*(22)C13 477 0.023703637 - 11.975159933
399 RY*(1)C14 478 0.887002910 - 0.860512384
400 RY*(2)C14 479 0.092096825 - 1.648049768
401 RY*(3)C14 480 0.531751426 - 1.147172773
402 RY*(4)C14 481 3.987705548 - -0.287277479
403 RY*(5)C14 482 0.251402707 - 1.679720493
404 RY*(6)C14 483 0.110315627 - 1.894329426
405 RY*(7)C14 484 0.023485846 - 1.826857332
406 RY*(8)C14 485 2.519402855 - 0.026965373
407 RY*(9)C14 486 1.562375998 - 1.125056947
408 RY*(10)C14 487 1.085916195 - 2.603766608
409 RY*(11)C14 488 0.832527713 - 4.374097517
410 RY*(12)C14 489 1.523656638 - 2.875265169
411 RY*(13)C14 490 0.938601228 - 4.000948767
412 RY*(14)C14 491 4.513806176 - 1.713358023
413 RY*(15)C14 492 1.339217762 - 2.634791992
414 RY*(16)C14 493 0.061013921 - 3.235732351
415 RY*(17)C14 494 0.003011823 - 3.613325204
416 RY*(18)C14 495 0.184844013 - 3.268570505
417 RY*(19)C14 496 0.430315035 - 2.088547597
418 RY*(20)C14 497 1.229384419 - 2.741571738
419 RY*(21)C14 498 0.976761016 - 14.680076180
420 RY*(22)C14 499 0.428439847 - 3.033523039
421 RY*(1)C15 500 0.039712501 - 1.994219463
422 RY*(2)C15 501 0.143053158 - 2.167660230
423 RY*(3)C15 502 0.029736851 - 1.547768848
424 RY*(4)C15 503 0.018607424 - 0.969324409
425 RY*(5)C15 504 0.371248803 - 1.065210536
426 RY*(6)C15 505 1.773310201 - 1.074507874
427 RY*(7)C15 506 0.186792464 - 1.599535030
428 RY*(8)C15 507 0.273252979 - 2.209366975
429 RY*(9)C15 508 0.040443756 - 2.732290068
430 RY*(10)C15 509 0.172560387 - 3.008237352
431 RY*(11)C15 510 0.546515292 - 1.857346253
432 RY*(12)C15 511 2.972595152 - 0.716206617
433 RY*(13)C15 512 0.330339954 - 2.453211901
434 RY*(14)C15 513 0.272463823 - 2.248601101
435 RY*(15)C15 514 0.692532613 - 3.424311476
436 RY*(16)C15 515 0.007721313 - 2.168692657
437 RY*(17)C15 516 0.483939833 - 19.049035503
438 RY*(18)C15 517 0.052418817 - 3.379848123
439 RY*(19)C15 518 0.004700853 - 2.833848050
440 RY*(1)C16 519 0.226880553 - 1.102667073
441 RY*(2)C16 520 0.194475681 - 1.657893899
442 RY*(3)C16 521 1.952327101 - 0.328786270
443 RY*(4)C16 522 0.084834848 - 1.071072762
444 RY*(5)C16 523 0.161797678 - 1.870352393
445 RY*(6)C16 524 0.017422132 - 1.068921957
446 RY*(7)C16 525 0.456706183 - 2.440896141
447 RY*(8)C16 526 1.638932392 - 1.190472314
448 RY*(9)C16 527 0.541995057 - 1.573942746
449 RY*(10)C16 528 5.640127464 - -0.706259492
450 RY*(11)C16 529 0.065080464 - 1.525520225
451 RY*(12)C16 530 0.144244152 - 1.778820683
452 RY*(13)C16 531 0.791340857 - 1.654410001
453 RY*(14)C16 532 0.658638494 - 2.541329051
454 RY*(15)C16 533 0.370826060 - 2.378025725
455 RY*(16)C16 534 0.181063401 - 3.482679622
456 RY*(17)C16 535 0.523933167 - 2.485963105
457 RY*(18)C16 536 0.345583847 - 3.448986935
458 RY*(19)C16 537 0.723603423 - 19.297252898
459 RY*(20)C16 538 0.634342319 - 3.231251931
460 RY*(21)C16 539 0.017608956 - 3.547100490
461 RY*(22)C16 540 0.729771435 - 3.548404337
462 RY*(1)C17 541 0.039321066 - 0.931231632
463 RY*(2)C17 542 0.064800546 - 1.151770683
464 RY*(3)C17 543 0.062818771 - 0.868527598
465 RY*(4)C17 544 0.115913538 - 0.575964579
466 RY*(5)C17 545 0.196342292 - 2.208739472
467 RY*(6)C17 546 0.011037544 - 1.337580742
468 RY*(7)C17 547 0.017713138 - 1.323411752
469 RY*(8)C17 548 2.832440721 - 0.334778099
470 RY*(9)C17 549 0.227162003 - 2.964578005
471 RY*(10)C17 550 0.192399958 - 2.582312421
472 RY*(11)C17 551 0.081160401 - 2.119881998
473 RY*(12)C17 552 0.037172459 - 1.108048916
474 RY*(13)C17 553 0.013908165 - 1.214457394
475 RY*(14)C17 554 0.023931010 - 2.890068029
476 RY*(15)C17 555 0.179851702 - 1.041591635
477 RY*(16)C17 556 0.321778607 - 3.294041054
478 RY*(17)C17 557 0.029434562 - 20.363437396
479 RY*(18)C17 558 0.035664361 - 3.022512012
480 RY*(19)C17 559 0.010877160 - 2.881403453
481 RY*(20)C17 560 0.028558869 - 3.298070993
482 RY*(21)C17 561 0.248475395 - 3.035758959
483 RY*(22)C17 562 0.012817114 - 3.099376695
484 RY*(1)C18 563 0.011802230 - 0.732264840
485 RY*(2)C18 564 0.009855316 - 0.405980933
486 RY*(3)C18 565 0.269832748 - 1.066421411
487 RY*(4)C18 566 0.197697664 - 0.825543335
488 RY*(5)C18 567 0.010127315 - 1.890140093
489 RY*(6)C18 568 0.006561144 - 2.495760911
490 RY*(7)C18 569 0.720263659 - 2.545914244
491 RY*(8)C18 570 0.801748447 - 1.249918627
492 RY*(9)C18 571 0.846507780 - 2.291166368
493 RY*(10)C18 572 0.276462306 - 2.826102237
494 RY*(11)C18 573 0.005788155 - 2.919848465
495 RY*(12)C18 574 0.011146557 - 2.185549881
496 RY*(13)C18 575 0.001137181 - 1.892136925
497 RY*(14)C18 576 0.005801095 - 2.461969235
498 RY*(15)C18 577 0.014259995 - 21.493272312
499 RY*(16)C18 578 0.001713514 - 3.456980913
500 RY*(17)C18 579 0.031670752 - 2.978439631
501 RY*(18)C18 580 0.002190743 - 1.625886359
502 RY*(19)C18 581 0.007137638 - 3.093297643
503 RY*(1)C19 582 0.012361933 - 0.865274299
504 RY*(2)C19 583 0.011495937 - 1.630420828
505 RY*(3)C19 584 0.004991591 - 1.150164037
506 RY*(4)C19 585 0.007460194 - 2.139536817
507 RY*(5)C19 586 0.004362646 - 2.843929998
508 RY*(6)C19 587 0.043636673 - 1.034885113
509 RY*(7)C19 588 0.110219902 - 1.543524308
510 RY*(8)C19 589 0.037889396 - 3.030745455
511 RY*(9)C19 590 0.022678261 - 2.675420058
512 RY*(10)C19 591 0.010573961 - 1.692151931
513 RY*(11)C19 592 0.121688574 - 2.145463382
514 RY*(12)C19 593 0.016529907 - 2.473531477
515 RY*(13)C19 594 0.015924189 - 3.526367001
516 RY*(14)C19 595 0.497568381 - 2.815619715
517 RY*(15)C19 596 0.302597334 - 2.956485056
518 RY*(16)C19 597 0.017015354 - 20.710873403
519 RY*(17)C19 598 0.017488791 - 2.337466886
520 RY*(18)C19 599 0.094369843 - 2.047232618
521 RY*(19)C19 600 0.047119541 - 3.206906899
522 RY*(1)H20 601 0.000767893 - 2.225449121
523 RY*(2)H20 602 0.001766336 - 1.955613151
524 RY*(3)H20 603 0.005570973 - 2.869875984
525 RY*(4)H20 604 0.001279872 - 2.669909837
526 RY*(1)H21 605 0.001357692 - 1.196815215
527 RY*(2)H21 606 0.001697379 - 1.951262642
528 RY*(3)H21 607 0.003852329 - 1.918182761
529 RY*(4)H21 608 0.002361900 - 2.520557352
530 RY*(5)H21 609 0.011403006 - 2.693256037
531 RY*(1)H22 610 0.009994880 - 1.215479956
532 RY*(2)H22 611 0.010231868 - 2.077413597
533 RY*(3)H22 612 0.013718600 - 1.912450517
534 RY*(4)H22 613 0.012878038 - 2.661867503
535 RY*(5)H22 614 0.051809306 - 2.592038865
536 RY*(1)H23 615 6.300420650 - -1.096799576
537 RY*(2)H23 616 1.610612374 - 1.482298976
538 RY*(3)H23 617 0.116216637 - 1.964954566
539 RY*(4)H23 618 0.153672288 - 2.859512660
540 RY*(5)H23 619 0.018550201 - 2.657010771
541 RY*(1)H24 620 0.033318684 - 2.364415024
542 RY*(2)H24 621 0.014837909 - 1.965111929
543 RY*(3)H24 622 0.011981918 - 2.879380534
544 RY*(4)H24 623 0.004231568 - 2.673022366
545 RY*(1)H25 624 0.001350797 - 1.027145903
546 RY*(2)H25 625 0.118317003 - 1.899862078
547 RY*(3)H25 626 0.670239043 - 1.949871343
548 RY*(4)H25 627 0.090865377 - 2.684542216
549 RY*(5)H25 628 0.000706779 - 2.563918390
550 RY*(1)H26 629 0.022816517 - 1.065487240
551 RY*(2)H26 630 0.292329020 - 1.829980445
552 RY*(3)H26 631 0.039274478 - 2.047206007
553 RY*(4)H26 632 0.006287327 - 2.729896300
554 RY*(5)H26 633 0.028923263 - 2.723101570
555 RY*(1)H27 634 0.476071593 - 0.625136706
556 RY*(2)H27 635 0.130085168 - 2.321718508
557 RY*(3)H27 636 0.003142149 - 1.989488036
558 RY*(4)H27 637 0.032390480 - 2.678737773
559 RY*(5)H27 638 0.523473659 - 2.787091662
560 RY*(1)C28 639 0.700783390 - 0.859033514
561 RY*(2)C28 640 0.034690783 - 0.844705119
562 RY*(3)C28 641 0.465360975 - 1.037539281
563 RY*(4)C28 642 0.991057882 - 1.221968413
564 RY*(5)C28 643 0.383627853 - 1.676798599
565 RY*(6)C28 644 0.652964729 - 0.852395309
566 RY*(7)C28 645 1.155981096 - 0.953928432
567 RY*(8)C28 646 8.148165844 - -1.031822829
568 RY*(9)C28 647 2.163955466 - 0.995123625
569 RY*(10)C28 648 0.593165644 - 5.465873919
570 RY*(11)C28 649 1.432597939 - 1.207871476
571 RY*(12)C28 650 0.030712649 - 2.152189066
572 RY*(13)C28 651 0.112875040 - 15.759131284
573 RY*(14)C28 652 0.094941635 - 2.717127399
574 RY*(15)C28 653 0.759165285 - 2.261116749
575 RY*(16)C28 654 0.243606651 - 2.557486692
576 RY*(17)C28 655 0.530820259 - 2.910392008
577 RY*(18)C28 656 0.018233928 - 3.215308531
578 RY*(19)C28 657 0.083592489 - 3.095833638
579 RY*(20)C28 658 0.095140152 - 2.749161983
580 RY*(21)C28 659 0.047569960 - 2.953804152
581 RY*(22)C28 660 0.012605136 - 3.327875592
582 RY*(1)N29 661 0.213857745 - 2.085738479
583 RY*(2)N29 662 0.033960104 - 0.720509293
584 RY*(3)N29 663 1.696846656 - 0.539259001
585 RY*(4)N29 664 0.065674032 - 0.802741136
586 RY*(5)N29 665 1.016905436 - 0.741542960
587 RY*(6)N29 666 0.070120556 - 1.132925980
588 RY*(7)N29 667 0.438696588 - 1.023322032
589 RY*(8)N29 668 0.268223304 - 1.460642940
590 RY*(9)N29 669 0.217844289 - 1.158750997
591 RY*(10)N29 670 0.004013310 - 2.191083983
592 RY*(11)N29 671 0.004054413 - 1.671159969
593 RY*(12)N29 672 0.103948588 - 0.987084455
594 RY*(13)N29 673 0.011031425 - 3.875548035
595 RY*(14)N29 674 0.015174105 - 4.639927610
596 RY*(15)N29 675 0.003552303 - 1.319399887
597 RY*(16)N29 676 0.015423212 - 4.555661594
598 RY*(17)N29 677 0.001609024 - 35.033373354
599 RY*(18)N29 678 0.100468079 - 4.784763662
600 RY*(19)N29 679 0.622408809 - 3.661269005
601 RY*(20)N29 680 0.006160246 - 4.802135891
602 RY*(21)N29 681 0.010180925 - 3.550814556
603 RY*(22)N29 682 0.186688756 - 4.579937813
604 RY*(1)H30 683 0.169697099 - 1.771237223
605 RY*(2)H30 684 0.009518562 - 1.966274042
606 RY*(3)H30 685 1.036409777 - 1.326220974
607 RY*(4)H30 686 0.568069422 - 2.544068400
608 RY*(5)H30 687 2.282373277 - 1.831494222
609 RY*(1)C31 688 0.024795682 - 1.084829923
610 RY*(2)C31 689 0.127945229 - 0.814596059
611 RY*(3)C31 690 0.079054238 - 1.731130906
612 RY*(4)C31 691 0.133206869 - 1.357585114
613 RY*(5)C31 692 8.372238165 - -1.713887127
614 RY*(6)C31 693 2.443480245 - 0.132624927
615 RY*(7)C31 694 0.173582413 - 1.114963386
616 RY*(8)C31 695 0.831519387 - 3.614631889
617 RY*(9)C31 696 0.484422698 - 1.261878111
618 RY*(10)C31 697 0.222320854 - 1.764017963
619 RY*(11)C31 698 1.439107059 - 0.604116101
620 RY*(12)C31 699 0.446186833 - 1.281128405
621 RY*(13)C31 700 0.022371563 - 5.619183810
622 RY*(14)C31 701 0.236500554 - 4.739234261
623 RY*(15)C31 702 0.234407118 - 4.204258773
624 RY*(16)C31 703 0.181082034 - 2.687111765
625 RY*(17)C31 704 0.234504717 - 11.535936657
626 RY*(18)C31 705 0.253810105 - 2.897303913
627 RY*(19)C31 706 0.697561990 - 3.236781416
628 RY*(20)C31 707 0.362399775 - 3.337463354
629 RY*(21)C31 708 0.041290125 - 3.246191005
630 RY*(22)C31 709 0.327625189 - 3.148324544
631 RY*(1)N32 710 0.021173287 - 2.147962223
632 RY*(2)N32 711 0.006967916 - 0.617920232
633 RY*(3)N32 712 0.598299437 - 0.912252153
634 RY*(4)N32 713 0.125283296 - 0.795367193
635 RY*(5)N32 714 0.154976715 - 0.922309854
636 RY*(6)N32 715 0.060803327 - 1.285589358
637 RY*(7)N32 716 0.142712153 - 1.282379903
638 RY*(8)N32 717 0.971093177 - 0.867485981
639 RY*(9)N32 718 0.203982289 - 0.961968290
640 RY*(10)N32 719 0.014731484 - 2.072994524
641 RY*(11)N32 720 0.057365043 - 1.955288146
642 RY*(12)N32 721 0.089137229 - 1.313167103
643 RY*(13)N32 722 0.020758873 - 3.694334537
644 RY*(14)N32 723 0.001146779 - 4.581905810
645 RY*(15)N32 724 0.122433213 - 1.379109902
646 RY*(16)N32 725 0.509014262 - 4.411059093
647 RY*(17)N32 726 0.159113164 - 34.968792930
648 RY*(18)N32 727 0.001897333 - 4.755775932
649 RY*(19)N32 728 0.000136755 - 3.872310576
650 RY*(20)N32 729 0.009623373 - 4.845270742
651 RY*(21)N32 730 0.002973721 - 3.684176057
652 RY*(22)N32 731 0.011648092 - 4.687138664
653 RY*(1)N33 732 0.011965777 - 0.826422095
654 RY*(2)N33 733 0.296132106 - 1.619447479
655 RY*(3)N33 734 0.182244969 - 1.409768153
656 RY*(4)N33 735 0.254179344 - 1.650403469
657 RY*(5)N33 736 0.709965198 - 1.131234971
658 RY*(6)N33 737 1.733574146 - 0.587670905
659 RY*(7)N33 738 0.067864749 - 2.102285554
660 RY*(8)N33 739 0.242847100 - 1.883702809
661 RY*(9)N33 740 0.088519695 - 2.263018474
662 RY*(10)N33 741 0.287462849 - 2.241811779
663 RY*(11)N33 742 0.055129503 - 3.370093930
664 RY*(12)N33 743 0.078360951 - 2.597120051
665 RY*(13)N33 744 0.225618771 - 2.456787385
666 RY*(14)N33 745 0.043696680 - 3.916514464
667 RY*(15)N33 746 0.081466591 - 4.073730254
668 RY*(16)N33 747 3.835997451 - 2.983639833
669 RY*(17)N33 748 0.056734670 - 2.376845233
670 RY*(18)N33 749 3.833879229 - 3.571274914
671 RY*(19)N33 750 0.243720404 - 4.073086154
672 RY*(20)N33 751 0.864951859 - 3.861275166
673 RY*(21)N33 752 0.143522633 - 34.171985555
674 RY*(22)N33 753 0.513655720 - 4.763258264
675 RY*(1)C34 754 0.616346542 - 1.826870390
676 RY*(2)C34 755 0.806660229 - 1.439146353
677 RY*(3)C34 756 0.666896087 - 1.822111463
678 RY*(4)C34 757 0.516024619 - 0.786560951
679 RY*(5)C34 758 0.175694703 - 1.535013751
680 RY*(6)C34 759 0.062917771 - 1.386641278
681 RY*(7)C34 760 0.648698808 - 1.336675562
682 RY*(8)C34 761 0.296246885 - 2.361480862
683 RY*(9)C34 762 0.350488546 - 1.499514940
684 RY*(10)C34 763 0.592467983 - 2.872618797
685 RY*(11)C34 764 0.110415209 - 1.884612667
686 RY*(12)C34 765 1.177992627 - 1.758535558
687 RY*(13)C34 766 8.737780611 - -1.154407410
688 RY*(14)C34 767 2.353244884 - 2.270035002
689 RY*(15)C34 768 0.432946314 - 4.463233403
690 RY*(16)C34 769 9.386474014 - -1.358184633
691 RY*(17)C34 770 0.168258473 - 3.041866114
692 RY*(18)C34 771 0.282917847 - 3.239401613
693 RY*(19)C34 772 0.546372687 - 19.610957361
694 RY*(1)C35 773 4.647328145 - 0.114216669
695 RY*(2)C35 774 1.335078342 - 1.387575904
696 RY*(3)C35 775 3.074025708 - -0.030973584
697 RY*(4)C35 776 2.601208748 - 0.519208635
698 RY*(5)C35 777 14.772035625 - -2.167646855
699 RY*(6)C35 778 7.095137005 - -0.519900863
700 RY*(7)C35 779 0.908958353 - 1.016463847
701 RY*(8)C35 780 1.523021761 - 2.931233883
702 RY*(9)C35 781 20.791856108 - -4.854574961
703 RY*(10)C35 782 8.125096683 - -0.311780193
704 RY*(11)C35 783 1.723268970 - 0.799980022
705 RY*(12)C35 784 0.633024592 - 1.717852823
706 RY*(13)C35 785 9.317629161 - 0.259741423
707 RY*(14)C35 786 2.900261181 - 2.537711981
708 RY*(15)C35 787 4.836742345 - 1.432981960
709 RY*(16)C35 788 3.410827548 - 1.223919942
710 RY*(17)C35 789 0.433714029 - 2.695289637
711 RY*(18)C35 790 0.663372093 - 3.057912078
712 RY*(19)C35 791 0.373678451 - 20.182032984
713 RY*(20)C35 792 2.354910556 - 2.742662564
714 RY*(21)C35 793 3.708948481 - 2.100462837
715 RY*(22)C35 794 0.785243653 - 3.339676017
716 RY*(1)C36 795 3.645323899 - 0.118074406
717 RY*(2)C36 796 1.906515044 - 0.716967449
718 RY*(3)C36 797 0.054641543 - 0.889944796
719 RY*(4)C36 798 0.102070634 - 0.587338165
720 RY*(5)C36 799 9.584284025 - 0.287479836
721 RY*(6)C36 800 0.490278793 - 1.208890249
722 RY*(7)C36 801 4.656622454 - 0.202547788
723 RY*(8)C36 802 6.680847537 - 0.202229984
724 RY*(9)C36 803 21.109562723 - -3.162614329
725 RY*(10)C36 804 7.350733018 - 1.361415088
726 RY*(11)C36 805 0.598645683 - 1.921592224
727 RY*(12)C36 806 21.740039213 - -4.788580402
728 RY*(13)C36 807 1.045678797 - 0.899431681
729 RY*(14)C36 808 0.386534044 - 3.242531110
730 RY*(15)C36 809 0.443271454 - 2.710167950
731 RY*(16)C36 810 1.565728026 - 3.029557127
732 RY*(17)C36 811 3.722219301 - 17.655344033
733 RY*(18)C36 812 8.395360784 - 1.367385376
734 RY*(19)C36 813 9.631016998 - 1.301847178
735 RY*(20)C36 814 0.580406975 - 2.413875381
736 RY*(21)C36 815 0.153475338 - 3.583957876
737 RY*(22)C36 816 1.591603991 - 2.728681811
738 RY*(1)C37 817 7.010327130 - -0.988486652
739 RY*(2)C37 818 0.995821168 - 0.114067778
740 RY*(3)C37 819 2.248567058 - 0.836238459
741 RY*(4)C37 820 2.132247117 - 0.472706550
742 RY*(5)C37 821 7.903386739 - -0.130190172
743 RY*(6)C37 822 0.688443199 - 2.337732429
744 RY*(7)C37 823 5.679867363 - 1.678792421
745 RY*(8)C37 824 3.906689037 - 0.796052387
746 RY*(9)C37 825 1.942650062 - 1.943083161
747 RY*(10)C37 826 13.963483258 - -1.032882003
748 RY*(11)C37 827 2.324048762 - 2.853371538
749 RY*(12)C37 828 14.026549568 - -0.604000011
750 RY*(13)C37 829 10.079999250 - -0.047133499
751 RY*(14)C37 830 1.028488907 - 21.396422645
752 RY*(15)C37 831 2.054320087 - 1.951584659
753 RY*(16)C37 832 0.507942731 - 3.459421522
754 RY*(17)C37 833 1.446036859 - 2.619629043
755 RY*(18)C37 834 1.037728307 - 1.476564959
756 RY*(19)C37 835 0.683497448 - 2.985247136
757 RY*(1)C38 836 2.301390870 - 0.267782285
758 RY*(2)C38 837 0.623829215 - 1.504547040
759 RY*(3)C38 838 0.468045622 - 1.043580165
760 RY*(4)C38 839 0.838786406 - 1.975969214
761 RY*(5)C38 840 3.676832452 - 1.873736972
762 RY*(6)C38 841 0.850945090 - 0.733965436
763 RY*(7)C38 842 5.866500369 - -0.173399749
764 RY*(8)C38 843 0.486532849 - 3.150888571
765 RY*(9)C38 844 1.735331366 - 2.597603600
766 RY*(10)C38 845 2.835679886 - 1.020133705
767 RY*(11)C38 846 21.761717374 - -2.791231837
768 RY*(12)C38 847 1.049517298 - 3.403320981
769 RY*(13)C38 848 1.005720454 - 3.779077410
770 RY*(14)C38 849 3.394911364 - 2.312088575
771 RY*(15)C38 850 4.554187056 - 2.081028608
772 RY*(16)C38 851 0.190532029 - 17.558310522
773 RY*(17)C38 852 3.574156330 - 2.401099461
774 RY*(18)C38 853 5.178162784 - 1.924915456
775 RY*(19)C38 854 1.994982464 - 2.166849290
776 RY*(1)C39 855 1.611302349 - 0.785132047
777 RY*(2)C39 856 1.177683080 - 1.375154378
778 RY*(3)C39 857 2.240682522 - 0.751368578
779 RY*(4)C39 858 1.860435567 - 0.515616526
780 RY*(5)C39 859 0.613742482 - 1.790912066
781 RY*(6)C39 860 1.087026832 - 2.054886960
782 RY*(7)C39 861 0.775465625 - 1.210918475
783 RY*(8)C39 862 2.359775511 - 0.183757710
784 RY*(9)C39 863 5.701549875 - 0.760276418
785 RY*(10)C39 864 21.167551230 - -2.560686614
786 RY*(11)C39 865 13.236087372 - -1.041342647
787 RY*(12)C39 866 11.625513546 - -1.124421510
788 RY*(13)C39 867 4.399428893 - 3.981201282
789 RY*(14)C39 868 2.263935850 - 2.381007069
790 RY*(15)C39 869 2.364907134 - 2.122440369
791 RY*(16)C39 870 4.905451994 - 1.935548844
792 RY*(17)C39 871 1.990889721 - 3.503812150
793 RY*(18)C39 872 0.732068833 - 3.044606923
794 RY*(19)C39 873 8.651256344 - 0.622703708
795 RY*(20)C39 874 10.562057231 - 0.390099352
796 RY*(21)C39 875 3.722567781 - 12.169538831
797 RY*(22)C39 876 3.450992498 - 2.966746846
798 RY*(1)C40 877 0.646620502 - 1.232860188
799 RY*(2)C40 878 0.895387371 - 1.599956036
800 RY*(3)C40 879 3.327478203 - -0.122188548
801 RY*(4)C40 880 1.449370084 - 1.168821293
802 RY*(5)C40 881 19.396167954 - -3.937402167
803 RY*(6)C40 882 1.283422500 - 1.158454216
804 RY*(7)C40 883 0.972829855 - 2.498115195
805 RY*(8)C40 884 2.584814043 - 0.984054490
806 RY*(9)C40 885 5.651170162 - 0.584372074
807 RY*(10)C40 886 13.165516755 - -1.996180662
808 RY*(11)C40 887 10.798349847 - -1.406769868
809 RY*(12)C40 888 2.122285363 - 3.600168653
810 RY*(13)C40 889 0.886212414 - 3.136928072
811 RY*(14)C40 890 0.555384771 - 5.918926723
812 RY*(15)C40 891 2.541222846 - 2.951128691
813 RY*(16)C40 892 1.363160239 - 2.450509891
814 RY*(17)C40 893 6.947059403 - 1.921156669
815 RY*(18)C40 894 1.222347090 - 5.550031612
816 RY*(19)C40 895 0.333752158 - 3.323245497
817 RY*(20)C40 896 0.455092338 - 3.188579109
818 RY*(21)C40 897 1.022881194 - 1.134121563
819 RY*(22)C40 898 2.623402843 - 10.707034011
820 RY*(1)C41 899 0.124183871 - 2.147645048
821 RY*(2)C41 900 0.445798437 - 2.203378651
822 RY*(3)C41 901 0.718525512 - 0.562525369
823 RY*(4)C41 902 1.067267705 - 1.099485037
824 RY*(5)C41 903 0.041693535 - 1.465561214
825 RY*(6)C41 904 0.220452569 - 0.777217350
826 RY*(7)C41 905 0.551595344 - 1.940367977
827 RY*(8)C41 906 0.233487197 - 2.180005421
828 RY*(9)C41 907 0.292089472 - 1.571003445
829 RY*(10)C41 908 0.441645189 - 2.092746393
830 RY*(11)C41 909 0.240235332 - 2.220837183
831 RY*(12)C41 910 1.114406676 - 2.357632018
832 RY*(13)C41 911 0.147483708 - 3.417486979
833 RY*(14)C41 912 4.707365195 - -0.101383401
834 RY*(15)C41 913 0.363406961 - 2.535089171
835 RY*(16)C41 914 0.393835801 - 4.099304065
836 RY*(17)C41 915 0.322154628 - 18.710253073
837 RY*(18)C41 916 0.261929611 - 3.451337960
838 RY*(19)C41 917 0.009562090 - 2.312560316
839 RY*(1)C42 918 0.184134874 - 1.147149488
840 RY*(2)C42 919 0.737587835 - 1.506070526
841 RY*(3)C42 920 1.218310303 - 0.604903869
842 RY*(4)C42 921 0.347080888 - 1.016914441
843 RY*(5)C42 922 0.251037629 - 0.964916522
844 RY*(6)C42 923 0.296058054 - 3.229540025
845 RY*(7)C42 924 0.900148794 - 1.789439713
846 RY*(8)C42 925 1.008720723 - 1.010802085
847 RY*(9)C42 926 0.363065704 - 1.226128413
848 RY*(10)C42 927 5.849412704 - 0.111087664
849 RY*(11)C42 928 6.676030563 - -0.181021625
850 RY*(12)C42 929 1.502383217 - 1.434657783
851 RY*(13)C42 930 2.928976243 - 1.061084829
852 RY*(14)C42 931 0.233751101 - 2.320680131
853 RY*(15)C42 932 0.526915392 - 2.857176646
854 RY*(16)C42 933 2.642705801 - 1.432208290
855 RY*(17)C42 934 0.216172351 - 2.552776316
856 RY*(18)C42 935 0.520250479 - 3.144553192
857 RY*(19)C42 936 0.716469636 - 3.361769873
858 RY*(20)C42 937 0.224635617 - 20.740306025
859 RY*(21)C42 938 0.140351639 - 3.408001723
860 RY*(22)C42 939 0.196910186 - 3.253656878
861 RY*(1)C43 940 0.123928753 - 1.275010990
862 RY*(2)C43 941 0.208577863 - 1.228260861
863 RY*(3)C43 942 0.032566590 - 0.598612359
864 RY*(4)C43 943 0.038005861 - 1.970203954
865 RY*(5)C43 944 0.267604690 - 1.832797910
866 RY*(6)C43 945 0.180189800 - 1.778160062
867 RY*(7)C43 946 0.434675961 - 2.460641792
868 RY*(8)C43 947 0.122723602 - 2.062316387
869 RY*(9)C43 948 0.326152815 - 2.251402618
870 RY*(10)C43 949 0.779462344 - 4.317804853
871 RY*(11)C43 950 2.512520660 - 0.324961932
872 RY*(12)C43 951 0.936211055 - 0.844244896
873 RY*(13)C43 952 0.221927098 - 0.783421714
874 RY*(14)C43 953 0.317997639 - 2.927017777
875 RY*(15)C43 954 0.757595350 - 2.952146198
876 RY*(16)C43 955 0.010089862 - 3.464650647
877 RY*(17)C43 956 0.160559819 - 17.774481799
878 RY*(18)C43 957 0.219445518 - 2.650997365
879 RY*(19)C43 958 0.315891564 - 2.610798306
880 RY*(20)C43 959 0.163478155 - 2.008865377
881 RY*(21)C43 960 0.135834795 - 1.582882658
882 RY*(22)C43 961 0.036213029 - 2.634085431
883 RY*(1)C44 962 0.066153871 - 1.222859375
884 RY*(2)C44 963 0.056953762 - 1.198447250
885 RY*(3)C44 964 0.105333166 - 0.325901827
886 RY*(4)C44 965 0.069868856 - 1.994588166
887 RY*(5)C44 966 0.137201502 - 2.106391488
888 RY*(6)C44 967 0.021976536 - 3.015238532
889 RY*(7)C44 968 0.026692221 - 1.304544742
890 RY*(8)C44 969 0.067725111 - 5.590915909
891 RY*(9)C44 970 0.686398932 - 2.473828879
892 RY*(10)C44 971 0.353852933 - 0.542828622
893 RY*(11)C44 972 0.269294931 - 3.407500465
894 RY*(12)C44 973 0.662797357 - 1.192505502
895 RY*(13)C44 974 0.082926972 - 3.179827702
896 RY*(14)C44 975 0.523993163 - 5.618393799
897 RY*(15)C44 976 0.123835901 - 13.183197865
898 RY*(16)C44 977 0.066237126 - 2.688649109
899 RY*(17)C44 978 0.223548243 - 1.177952028
900 RY*(18)C44 979 0.433828672 - 3.062733163
901 RY*(19)C44 980 0.192547714 - 0.681623587
902 RY*(20)C44 981 0.033032605 - 2.687368832
903 RY*(21)C44 982 0.277469401 - 2.983138202
904 RY*(22)C44 983 0.521465420 - 1.540258881
905 RY*(1)C45 984 0.272541243 - 1.149857196
906 RY*(2)C45 985 0.959023342 - 0.932282164
907 RY*(3)C45 986 2.796433766 - 0.834610509
908 RY*(4)C45 987 0.055006916 - 0.947680818
909 RY*(5)C45 988 0.905264066 - 1.112884582
910 RY*(6)C45 989 0.004864689 - 1.226199134
911 RY*(7)C45 990 0.607146419 - 3.263358993
912 RY*(8)C45 991 0.448113340 - 1.595238643
913 RY*(9)C45 992 0.336658111 - 2.565095638
914 RY*(10)C45 993 0.033433184 - 2.223733946
915 RY*(11)C45 994 1.603039057 - 2.837986727
916 RY*(12)C45 995 0.259147610 - 0.969191724
917 RY*(13)C45 996 0.540035117 - 3.223242147
918 RY*(14)C45 997 0.365946676 - 1.967562234
919 RY*(15)C45 998 0.552366680 - 3.157088005
920 RY*(16)C45 999 0.175593176 - 3.163561783
921 RY*(17)C45 1000 0.136064511 - 12.029768942
922 RY*(18)C45 1001 0.016327931 - 3.023964658
923 RY*(19)C45 1002 0.502979524 - 3.151752288
924 RY*(20)C45 1003 0.287341949 - 2.770748357
925 RY*(21)C45 1004 0.012903295 - 5.602228996
926 RY*(22)C45 1005 0.059589674 - 3.023917964
927 RY*(1)H46 1006 0.426548946 - 2.242139221
928 RY*(2)H46 1007 0.048360107 - 1.979693857
929 RY*(3)H46 1008 0.202954713 - 2.829558692
930 RY*(4)H46 1009 0.082919597 - 2.649007415
931 RY*(1)H47 1010 0.505558698 - 0.845271542
932 RY*(2)H47 1011 0.004420050 - 1.939352081
933 RY*(3)H47 1012 0.079981500 - 2.132424007
934 RY*(4)H47 1013 0.021871726 - 2.714387036
935 RY*(5)H47 1014 0.012888716 - 2.561664976
936 RY*(1)H48 1015 0.037970714 - 1.078284983
937 RY*(2)H48 1016 0.003809748 - 1.926055281
938 RY*(3)H48 1017 0.025106561 - 2.088572414
939 RY*(4)H48 1018 0.019957753 - 2.829534251
940 RY*(5)H48 1019 0.013419461 - 2.688792009
941 RY*(1)H49 1020 0.183989489 - 0.722271049
942 RY*(2)H49 1021 0.011919696 - 2.424709619
943 RY*(3)H49 1022 0.121537123 - 0.935859375
944 RY*(4)H49 1023 0.123386385 - 2.564553758
945 RY*(5)H49 1024 2.704884594 - 2.076818027
946 RY*(1)H50 1025 6.128145691 - -2.043635031
947 RY*(2)H50 1026 1.701432256 - 0.139536836
948 RY*(3)H50 1027 70.377845400 - -20.623246505
949 RY*(4)H50 1028 5.512876348 - 0.164623472
950 RY*(1)H51 1029 16.883031526 - -4.743666518
951 RY*(2)H51 1030 5.500383553 - -0.706514015
952 RY*(3)H51 1031 1.293826200 - 0.266817199
953 RY*(4)H51 1032 48.459430177 - -13.411515081
954 RY*(5)H51 1033 57.246322137 - -15.574188446
955 RY*(1)H52 1034 12.455402400 - -1.866345515
956 RY*(2)H52 1035 6.241965386 - 0.816044314
957 RY*(3)H52 1036 1.293155422 - 0.223201370
958 RY*(4)H52 1037 28.255503807 - -7.041749719
959 RY*(5)H52 1038 58.975531088 - -16.348764392
960 RY*(1)H53 1039 53.592676177 - -17.160433658
961 RY*(2)H53 1040 44.466989681 - -12.256198674
962 RY*(3)H53 1041 1.232423670 - 0.447769935
963 RY*(4)H53 1042 109.235709137 - -34.149032644
964 RY*(5)H53 1043 3.208232433 - 1.563531027
965 RY*(1)H54 1044 122.263784016 - -43.761544619
966 RY*(2)H54 1045 126.872947425 - -45.487205226
967 RY*(3)H54 1046 1.366431257 - 0.798184596
968 RY*(4)H54 1047 1.683393700 - 1.700032684
969 RY*(5)H54 1048 88.614760875 - -27.066171595
970 BD*(1)C1-C2 0.021042056 - 0.587432292
971 BD*(2)C1-C2 0.324040235 - -0.000837290
972 BD*(1)C1-C6 0.270417023 - 0.553699577
973 BD*(1)C1-H54 5.624354520 - -1.752540288
974 BD*(1)C2-C3 0.487505250 - 0.367633797
975 BD*(1)C2-N33 0.078457242 - 0.388043237
976 BD*(1)C3-C4 0.727353838 - 0.351211271
977 BD*(2)C3-C4 1.235405514 - -0.207691721
978 BD*(1)C3-C31 1.107472154 - 0.197020689
979 BD*(1)C4-C5 0.029465944 - 0.524177458
980 BD*(1)C4-H30 0.076995943 - 0.405340596
981 BD*(1)C5-C6 0.504936248 - 0.467219985
982 BD*(2)C5-C6 0.699168168 - -0.049641923
983 BD*(1)C5-C28 0.040982916 - 0.474807260
984 BD*(1)C6-N7 0.467079313 - 0.309467964
985 BD*(1)N7-C8 1.101711953 - 0.180665276
986 BD*(1)N7-C15 0.620766259 - 0.271639084
987 BD*(1)C8-C9 0.099451146 - 0.579724047
988 BD*(1)C8-C13 0.159728471 - 0.528529957
989 BD*(2)C8-C13 0.546868428 - 0.042715060
990 BD*(1)C9-C10 0.067913869 - 0.565448024
991 BD*(2)C9-C10 0.398892926 - 0.010611803
992 BD*(1)C9-H27 0.105008742 - 0.414024578
993 BD*(1)C10-C11 0.026401353 - 0.561834537
994 BD*(1)C10-H26 0.095402191 - 0.422903195
995 BD*(1)C11-C12 0.042063500 - 0.569066297
996 BD*(2)C11-C12 0.336835252 - 0.026279712
997 BD*(1)C11-H25 0.017377747 - 0.446286588
998 BD*(1)C12-C13 0.028505765 - 0.568268484
999 BD*(1)C12-H24 0.073669516 - 0.408607556
1000 BD*(1)C13-C14 0.489949121 - 0.391277939
1001 BD*(1)C14-C15 0.295745326 - 0.486721793
1002 BD*(2)C14-C15 0.459040405 - 0.056953415
1003 BD*(1)C14-C19 0.464743515 - 0.403333939
1004 BD*(1)C15-C16 0.356132813 - 0.487082090
1005 BD*(1)C16-C17 0.060643372 - 0.559901139
1006 BD*(2)C16-C17 0.343690133 - 0.024477398
1007 BD*(1)C16-H23 0.046988940 - 0.434659269
1008 BD*(1)C17-C18 0.017395623 - 0.560412248
1009 BD*(1)C17-H22 0.148565626 - 0.501376417
1010 BD*(1)C18-C19 0.096833353 - 0.612004031
1011 BD*(2)C18-C19 0.327852732 - 0.052348728
1012 BD*(1)C18-H21 0.032563443 - 0.494856448
1013 BD*(1)C19-H20 0.035084178 - 0.504558744
1014 BD*(1)C28-N29 0.014622318 - 0.918629397
1015 BD*(2)C28-N29 0.250205009 - 0.026509995
1016 BD*(3)C28-N29 0.095260499 - 0.074900943
1017 BD*(1)C31-N32 0.131897247 - 1.296492982
1018 BD*(2)C31-N32 0.127754170 - 0.694068699
1019 BD*(3)C31-N32 0.187671294 - 0.701394960
1020 BD*(1)N33-C34 1.259408090 - 0.130262294
1021 BD*(1)N33-C41 0.654019495 - 1.014583999
1022 BD*(1)C34-C35 0.521125365 - 1.293678577
1023 BD*(1)C34-C39 1.370568948 - 0.205771801
1024 BD*(2)C34-C39 1.391171342 - -0.055678853
1025 BD*(1)C35-C36 1.430657712 - 0.222708937
1026 BD*(2)C35-C36 0.969841789 - -0.146977141
1027 BD*(1)C35-H53 4.531535685 - -1.214842191
1028 BD*(1)C36-C37 1.771266954 - 0.172735230
1029 BD*(1)C36-H52 5.558590997 - -1.148665859
1030 BD*(1)C37-C38 1.268613336 - 0.349441823
1031 BD*(2)C37-C38 1.331072258 - -0.230364253
1032 BD*(1)C37-H51 5.778360603 - -1.659832548
1033 BD*(1)C38-C39 0.460988622 - 0.701645279
1034 BD*(1)C38-H50 5.423448522 - -1.419054425
1035 BD*(1)C39-C40 1.410195978 - 0.295115176
1036 BD*(1)C40-C41 0.941790617 - 0.727616814
1037 BD*(2)C40-C41 1.413811334 - -0.179539720
1038 BD*(1)C40-C45 0.857581638 - 0.326222290
1039 BD*(1)C41-C42 0.773213827 - 0.374596032
1040 BD*(1)C42-C43 0.544765696 - 1.123189037
1041 BD*(2)C42-C43 1.485557697 - -0.257358459
1042 BD*(1)C42-H49 1.269548273 - 0.315677426
1043 BD*(1)C43-C44 1.356806916 - 0.203554915
1044 BD*(1)C43-H48 0.956990045 - 0.122987430
1045 BD*(1)C44-C45 0.875880581 - 0.262227863
1046 BD*(2)C44-C45 0.358036796 - 0.798206361
1047 BD*(1)C44-H47 0.078401147 - 1.432053551
1048 BD*(1)C45-H46 1.521174998 - 0.010091845
1049 - **********
1050 - **********
1051 - **********
1052 - **********
1053 - **********
1054 - **********
1055 - **********
1056 - **********
1057 - **********
1058 - **********
1059 - **********
1060 - **********
1061 - **********
1062 - **********
1063 - **********
1064 - **********
1065 - **********
1066 - **********
1067 - **********
1068 - **********
1069 - **********
1070 - **********
1071 - **********
1072 - **********
1073 - **********
1074 - **********
1075 - **********
1076 - **********
1077 - **********
1078 - **********
1079 - **********
1080 - **********

Quote

TOWERING GENIUS DISDAINS A BEATEN PATH. IT SEEKS REGIONS HITHERTO UNEXPLORED. -- ABRAHAM LINCOLN