
============ PROCESS INFORMATION =============
Upper bound for b 0.020000
low bound for b 0.010000
Upper bound for a 3.000000
low bound for a 1.500000
||=====================Job description====================================||
You will get an output cif file for a list of dictionary restraints
based on the input cif file
Your input cif file : DG9_TMP/DG9_mol_0.cif
Your monomer name : DG9
The output dictionary file(cif) : DG9_TMP/DG9_mol_0_cod.rst
||========================================================================||
workMode 11
NBDepth	1
inCifName	DG9_TMP/DG9_mol_0.cif
lAS	1.500000
lBS	0.010000
libMolTabDir	/Users/flong/CCP4/ccp4-7.1/share/acedrg/tables
monoRootName	DG9
uAS	3.000000
uBS	0.020000
userOutName	DG9_TMP/DG9_mol_0_cod.rst
Compound ID DG9
Compound Code DG9
Compound name '.             '
Compound group non-polymer
Number of atoms  96
number of H atoms 50
The following is the property of the system in the input cif: 
The system ID DG9
The system three-letter code DG9
The system name  '.             '
The system group NON-POLYMER
Number of atoms in the system  96
Number of H atoms in the system 50
 Is it a peptide ?  No 
Atom C of C connects 4 atoms 
 and is with bond index 3
Atom N of N connects 3 atoms 
 and is with bond index 3
Atom S of S connects 4 atoms 
 and is with bond index 3
Atom C1 of C connects 4 atoms 
 and is with bond index 3
Atom N1 of N connects 2 atoms 
 and is with bond index 2
Atom O1 of O connects 2 atoms 
 and is with bond index 3
Atom C2 of C connects 3 atoms 
 and is with bond index 2
Atom N2 of N connects 3 atoms 
 and is with bond index 3
Atom O2 of O connects 2 atoms 
 and is with bond index 3
Atom C3 of C connects 4 atoms 
 and is with bond index 3
Atom N3 of N connects 2 atoms 
 and is with bond index 2
Atom O3 of O connects 1 atoms 
 and is with bond index 2
Atom C4 of C connects 3 atoms 
 and is with bond index 2
Atom C5 of C connects 3 atoms 
 and is with bond index 2
Atom C6 of C connects 3 atoms 
 and is with bond index 2
Atom N6 of N connects 3 atoms 
 and is with bond index 2
Atom N7 of N connects 2 atoms 
 and is with bond index 2
Atom C8 of C connects 3 atoms 
 and is with bond index 2
Atom N9 of N connects 3 atoms 
 and is with bond index 2
Atom CA of C connects 4 atoms 
 and is with bond index 3
Atom CB of C connects 4 atoms 
 and is with bond index 3
Atom C1' of C connects 4 atoms 
 and is with bond index 3
Atom S1P of S connects 2 atoms 
 and is with bond index 3
Atom C2' of C connects 4 atoms 
 and is with bond index 3
Atom P2A of P connects 3 atoms 
 and is with bond index 3
Atom C2P of C connects 4 atoms 
 and is with bond index 3
Atom O2P of O connects 1 atoms 
 and is with bond index 2
Atom C3' of C connects 4 atoms 
 and is with bond index 3
Atom C3P of C connects 4 atoms 
 and is with bond index 3
Atom O3P of O connects 1 atoms 
 and is with bond index 2
Atom C4' of C connects 4 atoms 
 and is with bond index 3
Atom O4' of O connects 2 atoms 
 and is with bond index 3
Atom O4A of O connects 1 atoms 
 and is with bond index 2
Atom N4P of N connects 3 atoms 
 and is with bond index 2
Atom C5P of C connects 3 atoms 
 and is with bond index 2
Atom O5P of O connects 1 atoms 
 and is with bond index 2
Atom O6A of O connects 2 atoms 
 and is with bond index 3
Atom C6P of C connects 4 atoms 
 and is with bond index 3
Atom C7P of C connects 4 atoms 
 and is with bond index 3
Atom N8P of N connects 3 atoms 
 and is with bond index 2
Atom C9P of C connects 3 atoms 
 and is with bond index 2
Atom O9P of O connects 1 atoms 
 and is with bond index 2
Atom CAP of C connects 4 atoms 
 and is with bond index 3
Atom OAP of O connects 2 atoms 
 and is with bond index 3
Atom CBP of C connects 4 atoms 
 and is with bond index 3
Atom CCP of C connects 4 atoms 
 and is with bond index 3
Atom CDP of C connects 4 atoms 
 and is with bond index 3
Atom CEP of C connects 4 atoms 
 and is with bond index 3
Atom CG1 of C connects 4 atoms 
 and is with bond index 3
Atom CG2 of C connects 4 atoms 
 and is with bond index 3
Atom H of H connects 1 atoms 
 and is with bond index 0
Atom HN of H connects 1 atoms 
 and is with bond index 0
Atom H1 of H connects 1 atoms 
 and is with bond index 0
Atom H1A of H connects 1 atoms 
 and is with bond index 0
Atom HO1 of H connects 1 atoms 
 and is with bond index 0
Atom H2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2A of H connects 1 atoms 
 and is with bond index 0
Atom HO2 of H connects 1 atoms 
 and is with bond index 0
Atom H3 of H connects 1 atoms 
 and is with bond index 0
Atom H3A of H connects 1 atoms 
 and is with bond index 0
Atom HN6 of H connects 1 atoms 
 and is with bond index 0
Atom HN6A of H connects 1 atoms 
 and is with bond index 0
Atom H8 of H connects 1 atoms 
 and is with bond index 0
Atom HA of H connects 1 atoms 
 and is with bond index 0
Atom HB of H connects 1 atoms 
 and is with bond index 0
Atom H1' of H connects 1 atoms 
 and is with bond index 0
Atom H2' of H connects 1 atoms 
 and is with bond index 0
Atom H2P of H connects 1 atoms 
 and is with bond index 0
Atom H2PA of H connects 1 atoms 
 and is with bond index 0
Atom H3' of H connects 1 atoms 
 and is with bond index 0
Atom H3P of H connects 1 atoms 
 and is with bond index 0
Atom H3PA of H connects 1 atoms 
 and is with bond index 0
Atom H4' of H connects 1 atoms 
 and is with bond index 0
Atom HN4P of H connects 1 atoms 
 and is with bond index 0
Atom H6P of H connects 1 atoms 
 and is with bond index 0
Atom H6PA of H connects 1 atoms 
 and is with bond index 0
Atom H7P of H connects 1 atoms 
 and is with bond index 0
Atom H7PA of H connects 1 atoms 
 and is with bond index 0
Atom HN8P of H connects 1 atoms 
 and is with bond index 0
Atom HAP of H connects 1 atoms 
 and is with bond index 0
Atom HOAP of H connects 1 atoms 
 and is with bond index 0
Atom HCP of H connects 1 atoms 
 and is with bond index 0
Atom HCPA of H connects 1 atoms 
 and is with bond index 0
Atom HDP of H connects 1 atoms 
 and is with bond index 0
Atom HDPA of H connects 1 atoms 
 and is with bond index 0
Atom HDPB of H connects 1 atoms 
 and is with bond index 0
Atom HEP of H connects 1 atoms 
 and is with bond index 0
Atom HEPA of H connects 1 atoms 
 and is with bond index 0
Atom HEPB of H connects 1 atoms 
 and is with bond index 0
Atom HG1 of H connects 1 atoms 
 and is with bond index 0
Atom HG1A of H connects 1 atoms 
 and is with bond index 0
Atom HG1B of H connects 1 atoms 
 and is with bond index 0
Atom HG2 of H connects 1 atoms 
 and is with bond index 0
Atom HG2A of H connects 1 atoms 
 and is with bond index 0
Atom HG2B of H connects 1 atoms 
 and is with bond index 0
Atom C of C connects 4 atoms 
 and is with bond index 3
Atom N of N connects 3 atoms 
 and is with bond index 3
Atom S of S connects 4 atoms 
 and is with bond index 3
Atom C1 of C connects 4 atoms 
 and is with bond index 3
Atom N1 of N connects 2 atoms 
 and is with bond index 2
Atom O1 of O connects 2 atoms 
 and is with bond index 3
Atom C2 of C connects 3 atoms 
 and is with bond index 2
Atom N2 of N connects 3 atoms 
 and is with bond index 3
Atom O2 of O connects 2 atoms 
 and is with bond index 3
Atom C3 of C connects 4 atoms 
 and is with bond index 3
Atom N3 of N connects 2 atoms 
 and is with bond index 2
Atom O3 of O connects 1 atoms 
 and is with bond index 2
Atom C4 of C connects 3 atoms 
 and is with bond index 2
Atom C5 of C connects 3 atoms 
 and is with bond index 2
Atom C6 of C connects 3 atoms 
 and is with bond index 2
Atom N6 of N connects 3 atoms 
 and is with bond index 2
Atom N7 of N connects 2 atoms 
 and is with bond index 2
Atom C8 of C connects 3 atoms 
 and is with bond index 2
Atom N9 of N connects 3 atoms 
 and is with bond index 2
Atom CA of C connects 4 atoms 
 and is with bond index 3
Atom CB of C connects 4 atoms 
 and is with bond index 3
Atom C1' of C connects 4 atoms 
 and is with bond index 3
Atom S1P of S connects 2 atoms 
 and is with bond index 3
Atom C2' of C connects 4 atoms 
 and is with bond index 3
Atom P2A of P connects 3 atoms 
 and is with bond index 3
Atom C2P of C connects 4 atoms 
 and is with bond index 3
Atom O2P of O connects 1 atoms 
 and is with bond index 2
Atom C3' of C connects 4 atoms 
 and is with bond index 3
Atom C3P of C connects 4 atoms 
 and is with bond index 3
Atom O3P of O connects 1 atoms 
 and is with bond index 2
Atom C4' of C connects 4 atoms 
 and is with bond index 3
Atom O4' of O connects 2 atoms 
 and is with bond index 3
Atom O4A of O connects 1 atoms 
 and is with bond index 2
Atom N4P of N connects 3 atoms 
 and is with bond index 2
Atom C5P of C connects 3 atoms 
 and is with bond index 2
Atom O5P of O connects 1 atoms 
 and is with bond index 2
Atom O6A of O connects 2 atoms 
 and is with bond index 3
Atom C6P of C connects 4 atoms 
 and is with bond index 3
Atom C7P of C connects 4 atoms 
 and is with bond index 3
Atom N8P of N connects 3 atoms 
 and is with bond index 2
Atom C9P of C connects 3 atoms 
 and is with bond index 2
Atom O9P of O connects 1 atoms 
 and is with bond index 2
Atom CAP of C connects 4 atoms 
 and is with bond index 3
Atom OAP of O connects 2 atoms 
 and is with bond index 3
Atom CBP of C connects 4 atoms 
 and is with bond index 3
Atom CCP of C connects 4 atoms 
 and is with bond index 3
Atom CDP of C connects 4 atoms 
 and is with bond index 3
Atom CEP of C connects 4 atoms 
 and is with bond index 3
Atom CG1 of C connects 4 atoms 
 and is with bond index 3
Atom CG2 of C connects 4 atoms 
 and is with bond index 3
Atom H of H connects 1 atoms 
 and is with bond index 0
Atom HN of H connects 1 atoms 
 and is with bond index 0
Atom H1 of H connects 1 atoms 
 and is with bond index 0
Atom H1A of H connects 1 atoms 
 and is with bond index 0
Atom HO1 of H connects 1 atoms 
 and is with bond index 0
Atom H2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2A of H connects 1 atoms 
 and is with bond index 0
Atom HO2 of H connects 1 atoms 
 and is with bond index 0
Atom H3 of H connects 1 atoms 
 and is with bond index 0
Atom H3A of H connects 1 atoms 
 and is with bond index 0
Atom HN6 of H connects 1 atoms 
 and is with bond index 0
Atom HN6A of H connects 1 atoms 
 and is with bond index 0
Atom H8 of H connects 1 atoms 
 and is with bond index 0
Atom HA of H connects 1 atoms 
 and is with bond index 0
Atom HB of H connects 1 atoms 
 and is with bond index 0
Atom H1' of H connects 1 atoms 
 and is with bond index 0
Atom H2' of H connects 1 atoms 
 and is with bond index 0
Atom H2P of H connects 1 atoms 
 and is with bond index 0
Atom H2PA of H connects 1 atoms 
 and is with bond index 0
Atom H3' of H connects 1 atoms 
 and is with bond index 0
Atom H3P of H connects 1 atoms 
 and is with bond index 0
Atom H3PA of H connects 1 atoms 
 and is with bond index 0
Atom H4' of H connects 1 atoms 
 and is with bond index 0
Atom HN4P of H connects 1 atoms 
 and is with bond index 0
Atom H6P of H connects 1 atoms 
 and is with bond index 0
Atom H6PA of H connects 1 atoms 
 and is with bond index 0
Atom H7P of H connects 1 atoms 
 and is with bond index 0
Atom H7PA of H connects 1 atoms 
 and is with bond index 0
Atom HN8P of H connects 1 atoms 
 and is with bond index 0
Atom HAP of H connects 1 atoms 
 and is with bond index 0
Atom HOAP of H connects 1 atoms 
 and is with bond index 0
Atom HCP of H connects 1 atoms 
 and is with bond index 0
Atom HCPA of H connects 1 atoms 
 and is with bond index 0
Atom HDP of H connects 1 atoms 
 and is with bond index 0
Atom HDPA of H connects 1 atoms 
 and is with bond index 0
Atom HDPB of H connects 1 atoms 
 and is with bond index 0
Atom HEP of H connects 1 atoms 
 and is with bond index 0
Atom HEPA of H connects 1 atoms 
 and is with bond index 0
Atom HEPB of H connects 1 atoms 
 and is with bond index 0
Atom HG1 of H connects 1 atoms 
 and is with bond index 0
Atom HG1A of H connects 1 atoms 
 and is with bond index 0
Atom HG1B of H connects 1 atoms 
 and is with bond index 0
Atom HG2 of H connects 1 atoms 
 and is with bond index 0
Atom HG2A of H connects 1 atoms 
 and is with bond index 0
Atom HG2B of H connects 1 atoms 
 and is with bond index 0
H distance table done 
The following are H-X distances by elements 
Distance Proton and B is : 1.027 by QM with siga 0.02
Distance electron and B is : 1.027 by QM with siga 0.02
Distance Proton and C is : 1.09058 by QM with siga 0.005774
Distance electron and C is : 0.983818 by QM with siga 0.009638
Distance Proton and N is : 1.01471 by QM with siga 0.006478
Distance electron and N is : 0.905994 by QM with siga 0.010748
Distance Proton and O is : 0.965929 by QM with siga 0.005851
Distance electron and O is : 0.838843 by QM with siga 0.01443
Distance Proton and P is : 1.284 by QM with siga 0.02
Distance electron and P is : 1.284 by QM with siga 0.02
Distance Proton and S is : 1.3454 by QM with siga 0.004055
Distance electron and S is : 1.17086 by QM with siga 0.207824
Distance Proton and SE is : 1.195 by QM with siga 0.01
Distance electron and SE is : 1.195 by QM with siga 0.01
The following are H-X distances by atom types 
Distance Proton and H_sp1_C is : 1.06322 by QM with siga 0.001342
Distance electron and H_sp1_C is : 0.920726 by QM with siga 0.023577
Distance Proton and H_sp1_C is : 1.048 by netron data with siga 0.01
Distance Proton and H_sp2_B is : 1.111 by QM with siga 0.02
Distance electron and H_sp2_B is : 1.111 by QM with siga 0.02
Distance Proton and H_sp2_B is : 1.111 by netron data with siga 0.02
Distance Proton and H_sp2_C is : 1.08649 by QM with siga 0.007726
Distance electron and H_sp2_C is : 0.97468 by QM with siga 0.009893
Distance Proton and H_sp2_C is : 1.082 by netron data with siga 0.013
Distance Proton and H_sp2_N is : 1.00988 by QM with siga 0.003564
Distance electron and H_sp2_N is : 0.898993 by QM with siga 0.007435
Distance Proton and H_sp2_N is : 1.016 by netron data with siga 0.01
Distance Proton and H_sp2_arom_B is : 1.111 by QM with siga 0.02
Distance electron and H_sp2_arom_B is : 1.111 by QM with siga 0.02
Distance Proton and H_sp2_arom_B is : 1.111 by netron data with siga 0.02
Distance Proton and H_sp2_arom_C is : 1.08281 by QM with siga 0.002261
Distance electron and H_sp2_arom_C is : 0.969706 by QM with siga 0.004
Distance Proton and H_sp2_arom_C is : 1.083 by netron data with siga 0.017
Distance Proton and H_sp2_arom_N is : 1.01066 by QM with siga 0.002807
Distance electron and H_sp2_arom_N is : 0.897346 by QM with siga 0.010439
Distance Proton and H_sp2_arom_N is : 1.014 by netron data with siga 0.01
Distance Proton and H_sp3_B is : 1.027 by QM with siga 0.02
Distance electron and H_sp3_B is : 1.027 by QM with siga 0.02
Distance Proton and H_sp3_B is : 1.027 by netron data with siga 0.02
Distance Proton and H_sp3_C is : 1.09311 by QM with siga 0.003875
Distance electron and H_sp3_C is : 0.988486 by QM with siga 0.005251
Distance Proton and H_sp3_C is : 1.089 by netron data with siga 0.01
Distance Proton and H_sp3_N is : 1.01974 by QM with siga 0.004993
Distance electron and H_sp3_N is : 0.913771 by QM with siga 0.007316
Distance Proton and H_sp3_N is : 1.036 by netron data with siga 0.016
Distance Proton and H_sp3_O is : 0.965929 by QM with siga 0.005851
Distance electron and H_sp3_O is : 0.838843 by QM with siga 0.01443
Distance Proton and H_sp3_O is : 0.97 by netron data with siga 0.012
Distance Proton and H_sp3_P is : 1.284 by QM with siga 0.02
Distance electron and H_sp3_P is : 1.284 by QM with siga 0.02
Distance Proton and H_sp3_P is : 1.284 by netron data with siga 0.02
Distance Proton and H_sp3_S is : 1.3454 by QM with siga 0.004055
Distance electron and H_sp3_S is : 1.17086 by QM with siga 0.207824
Distance Proton and H_sp3_S is : 1.338 by netron data with siga 0.01
Distance Proton and H_sp3_SE is : 1.195 by QM with siga 0.01
Distance electron and H_sp3_SE is : 1.195 by QM with siga 0.01
Distance Proton and H_sp3_SE is : 1.195 by netron data with siga 0.01
The torsions in following bonds are set in ring section 
Bond : 28
Its two atoms are : 
C1'
C2'
Bond : 31
Its two atoms are : 
C2'
C3'
Bond : 35
Its two atoms are : 
C3'
C4'
Bond : 37
Its two atoms are : 
C4'
O4'
Bond : 8
Its two atoms are : 
N1
C2
Bond : 11
Its two atoms are : 
C2
N3
Bond : 15
Its two atoms are : 
N3
C4
Bond : 17
Its two atoms are : 
C4
C5
Bond : 19
Its two atoms are : 
C5
C6
Bond : 20
Its two atoms are : 
C5
N7
Bond : 22
Its two atoms are : 
N7
C8
Bond : 23
Its two atoms are : 
C8
N9
Atom name N
number of bonding 3
The angle is 57.5639
Atom name N2
number of bonding 3
The angle is 53.2729
Atom name N6
number of bonding 3
The angle is 0.197183
Atom name N9
number of bonding 3
The angle is 21.2705
Atom name N4P
number of bonding 3
The angle is 0.881253
Atom name N8P
number of bonding 3
The angle is 0.8651
Atom Name C bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name N bonding index 3
Its element type N

 Its ccp4 type NT1
Atom Name S bonding index 3
Its element type S

 Its ccp4 type S3
Atom Name C1 bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name N1 bonding index 2
Its element type N

 Its ccp4 type NRD6
Atom Name O1 bonding index 3
Its element type O

 Its ccp4 type OH1
Atom Name C2 bonding index 2
Its element type C

 Its ccp4 type CR16
Atom Name N2 bonding index 3
Its element type N

 Its ccp4 type NT2
Atom Name O2 bonding index 3
Its element type O

 Its ccp4 type OH1
Atom Name C3 bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name N3 bonding index 2
Its element type N

 Its ccp4 type NRD6
Atom Name O3 bonding index 2
Its element type O

 Its ccp4 type OP
Atom Name C4 bonding index 2
Its element type C

 Its ccp4 type CR56
Atom Name C5 bonding index 2
Its element type C

 Its ccp4 type CR56
Atom Name C6 bonding index 2
Its element type C

 Its ccp4 type CR6
Atom Name N6 bonding index 2
Its element type N

 Its ccp4 type NH2
Atom Name N7 bonding index 2
Its element type N

 Its ccp4 type NRD5
Atom Name C8 bonding index 2
Its element type C

 Its ccp4 type CR15
Atom Name N9 bonding index 3
Its element type N

 Its ccp4 type NT
Atom Name CA bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name CB bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name C1' bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name S1P bonding index 3
Its element type S

 Its ccp4 type S2
Atom Name C2' bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name P2A bonding index 3
Its element type P

 Its ccp4 type P1
Atom Name C2P bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name O2P bonding index 2
Its element type O

 Its ccp4 type O
Atom Name C3' bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name C3P bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name O3P bonding index 2
Its element type O

 Its ccp4 type O
Atom Name C4' bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name O4' bonding index 3
Its element type O

 Its ccp4 type O2
Atom Name O4A bonding index 2
Its element type O

 Its ccp4 type O
Atom Name N4P bonding index 2
Its element type N

 Its ccp4 type NH1
Atom Name C5P bonding index 2
Its element type C

 Its ccp4 type C
Atom Name O5P bonding index 2
Its element type O

 Its ccp4 type O
Atom Name O6A bonding index 3
Its element type O

 Its ccp4 type O2
Atom Name C6P bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name C7P bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name N8P bonding index 2
Its element type N

 Its ccp4 type NH1
Atom Name C9P bonding index 2
Its element type C

 Its ccp4 type C
Atom Name O9P bonding index 2
Its element type O

 Its ccp4 type O
Atom Name CAP bonding index 3
Its element type C

 Its ccp4 type CH1
Atom Name OAP bonding index 3
Its element type O

 Its ccp4 type OH1
Atom Name CBP bonding index 3
Its element type C

 Its ccp4 type CT
Atom Name CCP bonding index 3
Its element type C

 Its ccp4 type CH2
Atom Name CDP bonding index 3
Its element type C

 Its ccp4 type CH3
Atom Name CEP bonding index 3
Its element type C

 Its ccp4 type CH3
Atom Name CG1 bonding index 3
Its element type C

 Its ccp4 type CH3
Atom Name CG2 bonding index 3
Its element type C

 Its ccp4 type CH3

Atom 0 : 
Its ID : C
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
C1
CA
S1P
H

Atom 1 : 
Its ID : N
Its Chemical Type : N
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : NT1
Its residue Name: DG9
Its connected atoms are : 
S
C3
HN

Atom 2 : 
Its ID : S
Its Chemical Type : S
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : S3
Its residue Name: DG9
Its connected atoms are : 
N
C1
O2P
O3P

Atom 3 : 
Its ID : C1
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
C
S
H1
H1A

Atom 4 : 
Its ID : N1
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NRD6
Its residue Name: DG9
Its connected atoms are : 
C2
C6

Atom 5 : 
Its ID : O1
Its Chemical Type : O
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : OH1
Its residue Name: DG9
Its connected atoms are : 
C3'
HO1

Atom 6 : 
Its ID : C2
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : CR16
Its residue Name: DG9
Its connected atoms are : 
N1
N3
H2

Atom 7 : 
Its ID : N2
Its Chemical Type : N
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : NT2
Its residue Name: DG9
Its connected atoms are : 
CA
HN2
HN2A

Atom 8 : 
Its ID : O2
Its Chemical Type : O
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : OH1
Its residue Name: DG9
Its connected atoms are : 
C2'
HO2

Atom 9 : 
Its ID : C3
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
N
C4'
H3
H3A

Atom 10 : 
Its ID : N3
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NRD6
Its residue Name: DG9
Its connected atoms are : 
C2
C4

Atom 11 : 
Its ID : O3
Its Chemical Type : O
Its bonding index : 2
Its formal charge : -1
Its CCP4 atom type : OP
Its residue Name: DG9
Its connected atoms are : 
P2A

Atom 12 : 
Its ID : C4
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : CR56
Its residue Name: DG9
Its connected atoms are : 
N3
C5
N9

Atom 13 : 
Its ID : C5
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : CR56
Its residue Name: DG9
Its connected atoms are : 
C4
C6
N7

Atom 14 : 
Its ID : C6
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : CR6
Its residue Name: DG9
Its connected atoms are : 
N1
C5
N6

Atom 15 : 
Its ID : N6
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NH2
Its residue Name: DG9
Its connected atoms are : 
C6
HN6
HN6A

Atom 16 : 
Its ID : N7
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NRD5
Its residue Name: DG9
Its connected atoms are : 
C5
C8

Atom 17 : 
Its ID : C8
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : CR15
Its residue Name: DG9
Its connected atoms are : 
N7
N9
H8

Atom 18 : 
Its ID : N9
Its Chemical Type : N
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : NT
Its residue Name: DG9
Its connected atoms are : 
C4
C8
C1'

Atom 19 : 
Its ID : CA
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
C
N2
CB
HA

Atom 20 : 
Its ID : CB
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
CA
CG1
CG2
HB

Atom 21 : 
Its ID : C1'
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
N9
C2'
O4'
H1'

Atom 22 : 
Its ID : S1P
Its Chemical Type : S
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : S2
Its residue Name: DG9
Its connected atoms are : 
C
C2P

Atom 23 : 
Its ID : C2'
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
O2
C1'
C3'
H2'

Atom 24 : 
Its ID : P2A
Its Chemical Type : P
Its bonding index : 3
Its formal charge : 1
Its CCP4 atom type : P1
Its residue Name: DG9
Its connected atoms are : 
O3
O4A
O6A

Atom 25 : 
Its ID : C2P
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
S1P
C3P
H2P
H2PA

Atom 26 : 
Its ID : O2P
Its Chemical Type : O
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : O
Its residue Name: DG9
Its connected atoms are : 
S

Atom 27 : 
Its ID : C3'
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
O1
C2'
C4'
H3'

Atom 28 : 
Its ID : C3P
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
C2P
N4P
H3P
H3PA

Atom 29 : 
Its ID : O3P
Its Chemical Type : O
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : O
Its residue Name: DG9
Its connected atoms are : 
S

Atom 30 : 
Its ID : C4'
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
C3
C3'
O4'
H4'

Atom 31 : 
Its ID : O4'
Its Chemical Type : O
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : O2
Its residue Name: DG9
Its connected atoms are : 
C1'
C4'

Atom 32 : 
Its ID : O4A
Its Chemical Type : O
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : O
Its residue Name: DG9
Its connected atoms are : 
P2A

Atom 33 : 
Its ID : N4P
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NH1
Its residue Name: DG9
Its connected atoms are : 
C3P
C5P
HN4P

Atom 34 : 
Its ID : C5P
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : C
Its residue Name: DG9
Its connected atoms are : 
N4P
O5P
C6P

Atom 35 : 
Its ID : O5P
Its Chemical Type : O
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : O
Its residue Name: DG9
Its connected atoms are : 
C5P

Atom 36 : 
Its ID : O6A
Its Chemical Type : O
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : O2
Its residue Name: DG9
Its connected atoms are : 
P2A
CCP

Atom 37 : 
Its ID : C6P
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
C5P
C7P
H6P
H6PA

Atom 38 : 
Its ID : C7P
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
C6P
N8P
H7P
H7PA

Atom 39 : 
Its ID : N8P
Its Chemical Type : N
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : NH1
Its residue Name: DG9
Its connected atoms are : 
C7P
C9P
HN8P

Atom 40 : 
Its ID : C9P
Its Chemical Type : C
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : C
Its residue Name: DG9
Its connected atoms are : 
N8P
O9P
CAP

Atom 41 : 
Its ID : O9P
Its Chemical Type : O
Its bonding index : 2
Its formal charge : 0
Its CCP4 atom type : O
Its residue Name: DG9
Its connected atoms are : 
C9P

Atom 42 : 
Its ID : CAP
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH1
Its residue Name: DG9
Its connected atoms are : 
C9P
OAP
CBP
HAP

Atom 43 : 
Its ID : OAP
Its Chemical Type : O
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : OH1
Its residue Name: DG9
Its connected atoms are : 
CAP
HOAP

Atom 44 : 
Its ID : CBP
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CT
Its residue Name: DG9
Its connected atoms are : 
CAP
CCP
CDP
CEP

Atom 45 : 
Its ID : CCP
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH2
Its residue Name: DG9
Its connected atoms are : 
O6A
CBP
HCP
HCPA

Atom 46 : 
Its ID : CDP
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH3
Its residue Name: DG9
Its connected atoms are : 
CBP
HDP
HDPA
HDPB

Atom 47 : 
Its ID : CEP
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH3
Its residue Name: DG9
Its connected atoms are : 
CBP
HEP
HEPA
HEPB

Atom 48 : 
Its ID : CG1
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH3
Its residue Name: DG9
Its connected atoms are : 
CB
HG1
HG1A
HG1B

Atom 49 : 
Its ID : CG2
Its Chemical Type : C
Its bonding index : 3
Its formal charge : 0
Its CCP4 atom type : CH3
Its residue Name: DG9
Its connected atoms are : 
CB
HG2
HG2A
HG2B

Atom 50 : 
Its ID : H
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C

Atom 51 : 
Its ID : HN
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N

Atom 52 : 
Its ID : H1
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C1

Atom 53 : 
Its ID : H1A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C1

Atom 54 : 
Its ID : HO1
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
O1

Atom 55 : 
Its ID : H2
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C2

Atom 56 : 
Its ID : HN2
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N2

Atom 57 : 
Its ID : HN2A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N2

Atom 58 : 
Its ID : HO2
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
O2

Atom 59 : 
Its ID : H3
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C3

Atom 60 : 
Its ID : H3A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C3

Atom 61 : 
Its ID : HN6
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N6

Atom 62 : 
Its ID : HN6A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N6

Atom 63 : 
Its ID : H8
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C8

Atom 64 : 
Its ID : HA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CA

Atom 65 : 
Its ID : HB
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CB

Atom 66 : 
Its ID : H1'
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C1'

Atom 67 : 
Its ID : H2'
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C2'

Atom 68 : 
Its ID : H2P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C2P

Atom 69 : 
Its ID : H2PA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C2P

Atom 70 : 
Its ID : H3'
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C3'

Atom 71 : 
Its ID : H3P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C3P

Atom 72 : 
Its ID : H3PA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C3P

Atom 73 : 
Its ID : H4'
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C4'

Atom 74 : 
Its ID : HN4P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N4P

Atom 75 : 
Its ID : H6P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C6P

Atom 76 : 
Its ID : H6PA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C6P

Atom 77 : 
Its ID : H7P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C7P

Atom 78 : 
Its ID : H7PA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
C7P

Atom 79 : 
Its ID : HN8P
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
N8P

Atom 80 : 
Its ID : HAP
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CAP

Atom 81 : 
Its ID : HOAP
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
OAP

Atom 82 : 
Its ID : HCP
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CCP

Atom 83 : 
Its ID : HCPA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CCP

Atom 84 : 
Its ID : HDP
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CDP

Atom 85 : 
Its ID : HDPA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CDP

Atom 86 : 
Its ID : HDPB
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CDP

Atom 87 : 
Its ID : HEP
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CEP

Atom 88 : 
Its ID : HEPA
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CEP

Atom 89 : 
Its ID : HEPB
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CEP

Atom 90 : 
Its ID : HG1
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG1

Atom 91 : 
Its ID : HG1A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG1

Atom 92 : 
Its ID : HG1B
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG1

Atom 93 : 
Its ID : HG2
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG2

Atom 94 : 
Its ID : HG2A
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG2

Atom 95 : 
Its ID : HG2B
Its Chemical Type : H
Its bonding index : 0
Its formal charge : 0
Its CCP4 atom type : H
Its residue Name: DG9
Its connected atoms are : 
CG2
Sum of number of excess electrons is 18
One Planar Ring! It contains 6 atoms. They are : 
Atom N1 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N1
bond idx 2
Atom N1 its charge 0
 add 1 pi atoms
Atom C2 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C2
bond idx 2
Atom C2 its charge 0
 add 1 pi atoms
Atom N3 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N3
bond idx 2
Atom N3 its charge 0
 add 1 pi atoms
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom C6 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C6
bond idx 2
Atom C6 its charge 0
 add 1 pi atoms
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom N7 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N7
bond idx 2
Atom N7 its charge 0
 add 1 pi atoms
Atom C8 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C8
bond idx 2
Atom C8 its charge 0
 add 1 pi atoms
Atom N9 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N9
bond idx 3
Atom N9 its charge 0
 add 2 pi atoms
number of Merged planar rings : 1
A merged system contains 2 rings. They are:  
The Ring with atoms 
N1
C2
N3
C4
C5
C6
The Ring with atoms 
C4
C5
N7
C8
N9
Atom N1 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N1
bond idx 2
Atom N1 its charge 0
 add 1 pi atoms
Atom C2 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C2
bond idx 2
Atom C2 its charge 0
 add 1 pi atoms
Atom N3 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N3
bond idx 2
Atom N3 its charge 0
 add 1 pi atoms
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom C6 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C6
bond idx 2
Atom C6 its charge 0
 add 1 pi atoms
Atom N7 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N7
bond idx 2
Atom N7 its charge 0
 add 1 pi atoms
Atom C8 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C8
bond idx 2
Atom C8 its charge 0
 add 1 pi atoms
Atom N9 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N9
bond idx 3
Atom N9 its charge 0
 add 2 pi atoms
It is an aromatic system
Add a plane from merged ring system 
It includes ring 0
added atom N1
add atom C2
add atom C6
added atom C2
add atom N3
add atom H2
added atom N3
add atom C4
added atom C4
add atom C5
add atom N9
added atom C5
add atom N7
added atom C6
add atom N6
It includes ring 1
added atom C4
added atom C5
added atom N7
add atom C8
added atom C8
add atom H8
added atom N9
add atom C1'
HERE2
HERE 
Bond between atom C and C1
Bond between atom C and CA
Bond between atom C and S1P
Bond between atom N and S
Bond between atom N and C3
Bond between atom S and C1
Bond between atom S and O2P
Bond between atom S and O3P
Bond between atom N1 and C2
Bond between atom N1 and C6
Bond between atom O1 and C3'
Bond between atom C2 and N3
Bond between atom N2 and CA
Bond between atom O2 and C2'
Bond between atom C3 and C4'
Bond between atom N3 and C4
Bond between atom O3 and P2A
Bond between atom C4 and C5
Bond between atom C4 and N9
Bond between atom C5 and C6
Bond between atom C5 and N7
Bond between atom C6 and N6
Bond between atom N7 and C8
Bond between atom C8 and N9
Bond between atom N9 and C1'
Bond between atom CA and CB
Bond between atom CB and CG1
Bond between atom CB and CG2
Bond between atom C1' and C2'
Bond between atom C1' and O4'
Bond between atom S1P and C2P
Bond between atom C2' and C3'
Bond between atom P2A and O4A
Bond between atom P2A and O6A
Bond between atom C2P and C3P
Bond between atom C3' and C4'
Bond between atom C3P and N4P
Bond between atom C4' and O4'
Bond between atom N4P and C5P
Bond between atom C5P and O5P
Bond between atom C5P and C6P
Bond between atom O6A and CCP
Bond between atom C6P and C7P
Bond between atom C7P and N8P
Bond between atom N8P and C9P
Bond between atom C9P and O9P
Bond between atom C9P and CAP
Bond between atom CAP and OAP
Bond between atom CAP and CBP
Bond between atom CBP and CCP
Bond between atom CBP and CDP
Bond between atom CBP and CEP
Bond between atom C and H
Bond between atom N and HN
Bond between atom C1 and H1
Bond between atom C1 and H1A
Bond between atom O1 and HO1
Bond between atom C2 and H2
Bond between atom N2 and HN2
Bond between atom N2 and HN2A
Bond between atom O2 and HO2
Bond between atom C3 and H3
Bond between atom C3 and H3A
Bond between atom N6 and HN6
Bond between atom N6 and HN6A
Bond between atom C8 and H8
Bond between atom CA and HA
Bond between atom CB and HB
Bond between atom C1' and H1'
Bond between atom C2' and H2'
Bond between atom C2P and H2P
Bond between atom C2P and H2PA
Bond between atom C3' and H3'
Bond between atom C3P and H3P
Bond between atom C3P and H3PA
Bond between atom C4' and H4'
Bond between atom N4P and HN4P
Bond between atom C6P and H6P
Bond between atom C6P and H6PA
Bond between atom C7P and H7P
Bond between atom C7P and H7PA
Bond between atom N8P and HN8P
Bond between atom CAP and HAP
Bond between atom OAP and HOAP
Bond between atom CCP and HCP
Bond between atom CCP and HCPA
Bond between atom CDP and HDP
Bond between atom CDP and HDPA
Bond between atom CDP and HDPB
Bond between atom CEP and HEP
Bond between atom CEP and HEPA
Bond between atom CEP and HEPB
Bond between atom CG1 and HG1
Bond between atom CG1 and HG1A
Bond between atom CG1 and HG1B
Bond between atom CG2 and HG2
Bond between atom CG2 and HG2A
Bond between atom CG2 and HG2B
Atom C of C connects 4 atoms 
 and is with bond index 3
Atom N of N connects 3 atoms 
 and is with bond index 3
Atom S of S connects 4 atoms 
 and is with bond index 3
Atom C1 of C connects 4 atoms 
 and is with bond index 3
Atom N1 of N connects 2 atoms 
 and is with bond index 2
Atom O1 of O connects 2 atoms 
 and is with bond index 3
Atom C2 of C connects 3 atoms 
 and is with bond index 2
Atom N2 of N connects 3 atoms 
 and is with bond index 3
Atom O2 of O connects 2 atoms 
 and is with bond index 3
Atom C3 of C connects 4 atoms 
 and is with bond index 3
Atom N3 of N connects 2 atoms 
 and is with bond index 2
Atom O3 of O connects 1 atoms 
 and is with bond index 2
Atom C4 of C connects 3 atoms 
 and is with bond index 2
Atom C5 of C connects 3 atoms 
 and is with bond index 2
Atom C6 of C connects 3 atoms 
 and is with bond index 2
Atom N6 of N connects 3 atoms 
 and is with bond index 2
Atom N7 of N connects 2 atoms 
 and is with bond index 2
Atom C8 of C connects 3 atoms 
 and is with bond index 2
Atom N9 of N connects 3 atoms 
 and is with bond index 2
Atom CA of C connects 4 atoms 
 and is with bond index 3
Atom CB of C connects 4 atoms 
 and is with bond index 3
Atom C1' of C connects 4 atoms 
 and is with bond index 3
Atom S1P of S connects 2 atoms 
 and is with bond index 3
Atom C2' of C connects 4 atoms 
 and is with bond index 3
Atom P2A of P connects 3 atoms 
 and is with bond index 3
Atom C2P of C connects 4 atoms 
 and is with bond index 3
Atom O2P of O connects 1 atoms 
 and is with bond index 2
Atom C3' of C connects 4 atoms 
 and is with bond index 3
Atom C3P of C connects 4 atoms 
 and is with bond index 3
Atom O3P of O connects 1 atoms 
 and is with bond index 2
Atom C4' of C connects 4 atoms 
 and is with bond index 3
Atom O4' of O connects 2 atoms 
 and is with bond index 3
Atom O4A of O connects 1 atoms 
 and is with bond index 2
Atom N4P of N connects 3 atoms 
 and is with bond index 2
Atom C5P of C connects 3 atoms 
 and is with bond index 2
Atom O5P of O connects 1 atoms 
 and is with bond index 2
Atom O6A of O connects 2 atoms 
 and is with bond index 3
Atom C6P of C connects 4 atoms 
 and is with bond index 3
Atom C7P of C connects 4 atoms 
 and is with bond index 3
Atom N8P of N connects 3 atoms 
 and is with bond index 2
Atom C9P of C connects 3 atoms 
 and is with bond index 2
Atom O9P of O connects 1 atoms 
 and is with bond index 2
Atom CAP of C connects 4 atoms 
 and is with bond index 3
Atom OAP of O connects 2 atoms 
 and is with bond index 3
Atom CBP of C connects 4 atoms 
 and is with bond index 3
Atom CCP of C connects 4 atoms 
 and is with bond index 3
Atom CDP of C connects 4 atoms 
 and is with bond index 3
Atom CEP of C connects 4 atoms 
 and is with bond index 3
Atom CG1 of C connects 4 atoms 
 and is with bond index 3
Atom CG2 of C connects 4 atoms 
 and is with bond index 3
Atom H of H connects 1 atoms 
 and is with bond index 0
Atom HN of H connects 1 atoms 
 and is with bond index 0
Atom H1 of H connects 1 atoms 
 and is with bond index 0
Atom H1A of H connects 1 atoms 
 and is with bond index 0
Atom HO1 of H connects 1 atoms 
 and is with bond index 0
Atom H2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2 of H connects 1 atoms 
 and is with bond index 0
Atom HN2A of H connects 1 atoms 
 and is with bond index 0
Atom HO2 of H connects 1 atoms 
 and is with bond index 0
Atom H3 of H connects 1 atoms 
 and is with bond index 0
Atom H3A of H connects 1 atoms 
 and is with bond index 0
Atom HN6 of H connects 1 atoms 
 and is with bond index 0
Atom HN6A of H connects 1 atoms 
 and is with bond index 0
Atom H8 of H connects 1 atoms 
 and is with bond index 0
Atom HA of H connects 1 atoms 
 and is with bond index 0
Atom HB of H connects 1 atoms 
 and is with bond index 0
Atom H1' of H connects 1 atoms 
 and is with bond index 0
Atom H2' of H connects 1 atoms 
 and is with bond index 0
Atom H2P of H connects 1 atoms 
 and is with bond index 0
Atom H2PA of H connects 1 atoms 
 and is with bond index 0
Atom H3' of H connects 1 atoms 
 and is with bond index 0
Atom H3P of H connects 1 atoms 
 and is with bond index 0
Atom H3PA of H connects 1 atoms 
 and is with bond index 0
Atom H4' of H connects 1 atoms 
 and is with bond index 0
Atom HN4P of H connects 1 atoms 
 and is with bond index 0
Atom H6P of H connects 1 atoms 
 and is with bond index 0
Atom H6PA of H connects 1 atoms 
 and is with bond index 0
Atom H7P of H connects 1 atoms 
 and is with bond index 0
Atom H7PA of H connects 1 atoms 
 and is with bond index 0
Atom HN8P of H connects 1 atoms 
 and is with bond index 0
Atom HAP of H connects 1 atoms 
 and is with bond index 0
Atom HOAP of H connects 1 atoms 
 and is with bond index 0
Atom HCP of H connects 1 atoms 
 and is with bond index 0
Atom HCPA of H connects 1 atoms 
 and is with bond index 0
Atom HDP of H connects 1 atoms 
 and is with bond index 0
Atom HDPA of H connects 1 atoms 
 and is with bond index 0
Atom HDPB of H connects 1 atoms 
 and is with bond index 0
Atom HEP of H connects 1 atoms 
 and is with bond index 0
Atom HEPA of H connects 1 atoms 
 and is with bond index 0
Atom HEPB of H connects 1 atoms 
 and is with bond index 0
Atom HG1 of H connects 1 atoms 
 and is with bond index 0
Atom HG1A of H connects 1 atoms 
 and is with bond index 0
Atom HG1B of H connects 1 atoms 
 and is with bond index 0
Atom HG2 of H connects 1 atoms 
 and is with bond index 0
Atom HG2A of H connects 1 atoms 
 and is with bond index 0
Atom HG2B of H connects 1 atoms 
 and is with bond index 0
Atom name N
number of bonding 3
The angle is 57.5639
Atom name N2
number of bonding 3
The angle is 53.2729
Atom name N6
number of bonding 3
The angle is 0.197183
Atom name N9
number of bonding 3
The angle is 21.2705
Atom name N4P
number of bonding 3
The angle is 0.881253
Atom name N8P
number of bonding 3
The angle is 0.8651
Atom 0 : 
Its ID C
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHN)(CHHS)(SC)(H)
Its acedrg atom main type C(CCHN)(CHHS)(SC)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C-3_3_0_0:C-3_3_3_0:H-3:S-3_3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
Its hashing is 490
Atom 1 : 
Its ID N
Its element type N
Its COD root atom type N
Its acedrg atom type N(CC[5]HH)(SCOO)(H)
Its acedrg atom main type N(CC[5]HH)(SCOO)(H)
Its base ring type 
Its ccp4 atom type NT1
Its second NB sp props C-3_3_0_0:H-3:S-3_3_2_2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:S-1_1_0_0
Its hashing is 670
Atom 2 : 
Its ID S
Its element type S
Its COD root atom type S
Its acedrg atom type S(CCHH)(NCH)(O)2
Its acedrg atom main type S(CCHH)(NCH)(O)2
Its base ring type 
Its ccp4 atom type S3
Its second NB sp props C-3_3_0_0:N-3_3_0:O-3:O-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:N-0_0_0:O-0:O-0
Its hashing is 985
Atom 3 : 
Its ID C1
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHS)(SNOO)(H)2
Its acedrg atom main type C(CCHS)(SNOO)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_3_3_0:H-3:H-3:S-3_3_2_2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:S-1_1_0_0
Its hashing is 490
Atom 4 : 
Its ID N1
Its element type N
Its COD root atom type N[6a]
Its acedrg atom type N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}
Its acedrg atom main type N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its base ring type y
Its ccp4 atom type NRD6
Its second NB sp props C[6a]-2_2_0:C[6a]-2_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[6a]-1_1_0:C[6a]-1_1_0
Its hashing is 371
Atom 5 : 
Its ID O1
Its element type O
Its COD root atom type O
Its acedrg atom type O(C[5]C[5]2H)(H)
Its acedrg atom main type O(C[5]C[5]2H)(H)
Its base ring type 
Its ccp4 atom type OH1
Its second NB sp props C[5]-3_3_3_0:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:H-0
Its hashing is 960
Atom 6 : 
Its ID C2
Its element type C
Its COD root atom type C[6a]
Its acedrg atom type C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
Its acedrg atom main type C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its base ring type y
Its ccp4 atom type CR16
Its second NB sp props H-2:N[6a]-2_2:N[6a]-2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is H-1:N[6a]-1_1:N[6a]-1_1
Its hashing is 643
Atom 7 : 
Its ID N2
Its element type N
Its COD root atom type N
Its acedrg atom type N(CCCH)(H)2
Its acedrg atom main type N(CCCH)(H)2
Its base ring type 
Its ccp4 atom type NT2
Its second NB sp props C-3_3_3_0:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0
Its hashing is 670
Atom 8 : 
Its ID O2
Its element type O
Its COD root atom type O
Its acedrg atom type O(C[5]C[5]2H)(H)
Its acedrg atom main type O(C[5]C[5]2H)(H)
Its base ring type 
Its ccp4 atom type OH1
Its second NB sp props C[5]-3_3_3_0:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:H-0
Its hashing is 960
Atom 9 : 
Its ID C3
Its element type C
Its COD root atom type C
Its acedrg atom type C(C[5]C[5]O[5]H)(NHS)(H)2
Its acedrg atom main type C(C[5]C[5]O[5]H)(NHS)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C[5]-3_3_3_0:H-3:H-3:N-3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:H-0:H-0:N-0_0_0
Its hashing is 490
Atom 10 : 
Its ID N3
Its element type N
Its COD root atom type N[6a]
Its acedrg atom type N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}
Its acedrg atom main type N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its base ring type y
Its ccp4 atom type NRD6
Its second NB sp props C[5a,6a]-3_2_2:C[6a]-2_2_0
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[5a,6a]-1_1_0:C[6a]-1_1_0
Its hashing is 371
Atom 11 : 
Its ID O3
Its element type O
Its COD root atom type O
Its acedrg atom type O(POO)
Its acedrg atom main type O(POO)
Its base ring type 
Its ccp4 atom type OP
Its second NB sp props P-3_2_2
Its number of extra-electrons is 0
Its second NB extra-electron sign is P-1_0_0
Its hashing is 955
Atom 12 : 
Its ID C4
Its element type C
Its COD root atom type C[5a,6a]
Its acedrg atom type C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}
Its acedrg atom main type C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its base ring type y
Its ccp4 atom type CR56
Its second NB sp props C[5a,6a]-2_2_2:N[5a]-3_2_2:N[6a]-2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1
Its hashing is 727
Atom 13 : 
Its ID C5
Its element type C
Its COD root atom type C[5a,6a]
Its acedrg atom type C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
Its acedrg atom main type C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its base ring type y
Its ccp4 atom type CR56
Its second NB sp props C[5a,6a]-3_2_2:C[6a]-2_2_2:N[5a]-2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
Its hashing is 727
Atom 14 : 
Its ID C6
Its element type C
Its COD root atom type C[6a]
Its acedrg atom type C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}
Its acedrg atom main type C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its base ring type y
Its ccp4 atom type CR6
Its second NB sp props C[5a,6a]-2_2_2:N-2_0_0:N[6a]-2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1
Its hashing is 643
Atom 15 : 
Its ID N6
Its element type N
Its COD root atom type N
Its acedrg atom type N(C[6a]C[5a,6a]N[6a])(H)2
Its acedrg atom main type N(C[6a]C[5a,6a]N[6a])(H)2
Its base ring type 
Its ccp4 atom type NH2
Its second NB sp props C[6a]-2_2_2:H-2:H-2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[6a]-1_1_0:H-0:H-0
Its hashing is 670
Atom 16 : 
Its ID N7
Its element type N
Its COD root atom type N[5a]
Its acedrg atom type N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}
Its acedrg atom main type N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its base ring type y
Its ccp4 atom type NRD5
Its second NB sp props C[5a,6a]-2_2_2:C[5a]-3_2_0
Its number of extra-electrons is 1
Its second NB extra-electron sign is C[5a,6a]-1_1_1:C[5a]-1_0_0
Its hashing is 519
Atom 17 : 
Its ID C8
Its element type C
Its COD root atom type C[5a]
Its acedrg atom type C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}
Its acedrg atom main type C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its base ring type y
Its ccp4 atom type CR15
Its second NB sp props H-2:N[5a]-2_2:N[5a]-3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is H-1:N[5a]-1_1_0:N[5a]-1_1
Its hashing is 727
Atom 18 : 
Its ID N9
Its element type N
Its COD root atom type N[5a]
Its acedrg atom type N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}
Its acedrg atom main type N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its base ring type y
Its ccp4 atom type NT
Its second NB sp props C[5a,6a]-3_2_2:C[5a]-3_2_0:C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
Its hashing is 813
Atom 19 : 
Its ID CA
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCCH)(CCHS)(NHH)(H)
Its acedrg atom main type C(CCCH)(CCHS)(NHH)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C-3_3_3_0:C-3_3_3_0:H-3:N-3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0
Its hashing is 490
Atom 20 : 
Its ID CB
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHN)(CH3)2(H)
Its acedrg atom main type C(CCHN)(CH3)2(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C-3_0_0_0:C-3_0_0_0:C-3_3_3_0:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
Its hashing is 490
Atom 21 : 
Its ID C1'
Its element type C
Its COD root atom type C[5]
Its acedrg atom type C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
Its acedrg atom main type C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C[5]-3_3_3_0:H-3:N[5a]-3_2_2:O[5]-3_3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
Its hashing is 474
Atom 22 : 
Its ID S1P
Its element type S
Its COD root atom type S
Its acedrg atom type S(CCCH)(CCHH)
Its acedrg atom main type S(CCCH)(CCHH)
Its base ring type 
Its ccp4 atom type S2
Its second NB sp props C-3_3_0_0:C-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-0_0_0_0
Its hashing is 975
Atom 23 : 
Its ID C2'
Its element type C
Its COD root atom type C[5]
Its acedrg atom type C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
Its acedrg atom main type C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C[5]-3_3_3_0:C[5]-3_3_3_0:H-3:O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
Its hashing is 474
Atom 24 : 
Its ID P2A
Its element type P
Its COD root atom type P
Its acedrg atom type P(OC)(O)2
Its acedrg atom main type P(OC)(O)2
Its base ring type 
Its ccp4 atom type P1
Its second NB sp props O-3_3:O-3:O-3
Its number of extra-electrons is 3
Its second NB extra-electron sign is O-3_0:O-3:O-3
Its hashing is 981
Atom 25 : 
Its ID C2P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CHHN)(SC)(H)2
Its acedrg atom main type C(CHHN)(SC)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_2_0_0:H-3:H-3:S-3_3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:S-0_0
Its hashing is 490
Atom 26 : 
Its ID O2P
Its element type O
Its COD root atom type O
Its acedrg atom type O(SCNO)
Its acedrg atom main type O(SCNO)
Its base ring type 
Its ccp4 atom type O
Its second NB sp props S-3_3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is S-1_1_0_0
Its hashing is 955
Atom 27 : 
Its ID C3'
Its element type C
Its COD root atom type C[5]
Its acedrg atom type C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}
Its acedrg atom main type C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C[5]-3_3_3_0:C[5]-3_3_3_0:H-3:O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
Its hashing is 474
Atom 28 : 
Its ID C3P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CHHS)(NCH)(H)2
Its acedrg atom main type C(CHHS)(NCH)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_3_0_0:H-3:H-3:N-3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:N-1_0_0
Its hashing is 490
Atom 29 : 
Its ID O3P
Its element type O
Its COD root atom type O
Its acedrg atom type O(SCNO)
Its acedrg atom main type O(SCNO)
Its base ring type 
Its ccp4 atom type O
Its second NB sp props S-3_3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is S-1_1_0_0
Its hashing is 955
Atom 30 : 
Its ID C4'
Its element type C
Its COD root atom type C[5]
Its acedrg atom type C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}
Its acedrg atom main type C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C-3_3_0_0:C[5]-3_3_3_0:H-3:O[5]-3_3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
Its hashing is 474
Atom 31 : 
Its ID O4'
Its element type O
Its COD root atom type O[5]
Its acedrg atom type O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}
Its acedrg atom main type O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its base ring type 
Its ccp4 atom type O2
Its second NB sp props C[5]-3_3_3_0:C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0:C[5]-0_0_0_0
Its hashing is 358
Atom 32 : 
Its ID O4A
Its element type O
Its COD root atom type O
Its acedrg atom type O(POO)
Its acedrg atom main type O(POO)
Its base ring type 
Its ccp4 atom type O
Its second NB sp props P-3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is P-1_0_0
Its hashing is 955
Atom 33 : 
Its ID N4P
Its element type N
Its COD root atom type N
Its acedrg atom type N(CCHH)(CCO)(H)
Its acedrg atom main type N(CCHH)(CCO)(H)
Its base ring type 
Its ccp4 atom type NH1
Its second NB sp props C-3_2_0_0:C-3_2_2:H-2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-1_0_0:H-0
Its hashing is 670
Atom 34 : 
Its ID C5P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHH)(NCH)(O)
Its acedrg atom main type C(CCHH)(NCH)(O)
Its base ring type 
Its ccp4 atom type C
Its second NB sp props C-3_2_0_0:N-3_2_0:O-2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C-1_0_0_0:N-1_0_0:O-1
Its hashing is 930
Atom 35 : 
Its ID O5P
Its element type O
Its COD root atom type O
Its acedrg atom type O(CCN)
Its acedrg atom main type O(CCN)
Its base ring type 
Its ccp4 atom type O
Its second NB sp props C-3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C-1_0_0
Its hashing is 955
Atom 36 : 
Its ID O6A
Its element type O
Its COD root atom type O
Its acedrg atom type O(CCHH)(POO)
Its acedrg atom main type O(CCHH)(POO)
Its base ring type 
Its ccp4 atom type O2
Its second NB sp props C-3_3_0_0:P-3_2_2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:P-1_0_0
Its hashing is 960
Atom 37 : 
Its ID C6P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CHHN)(CNO)(H)2
Its acedrg atom main type C(CHHN)(CNO)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_2_0_0:C-3_2_2:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-1_0_0:H-0:H-0
Its hashing is 490
Atom 38 : 
Its ID C7P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHH)(NCH)(H)2
Its acedrg atom main type C(CCHH)(NCH)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_2_0_0:H-3:H-3:N-3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-1_0_0_0:H-0:H-0:N-1_0_0
Its hashing is 490
Atom 39 : 
Its ID N8P
Its element type N
Its COD root atom type N
Its acedrg atom type N(CCHH)(CCO)(H)
Its acedrg atom main type N(CCHH)(CCO)(H)
Its base ring type 
Its ccp4 atom type NH1
Its second NB sp props C-3_2_0_0:C-3_2_2:H-2
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-1_0_0:H-0
Its hashing is 670
Atom 40 : 
Its ID C9P
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHO)(NCH)(O)
Its acedrg atom main type C(CCHO)(NCH)(O)
Its base ring type 
Its ccp4 atom type C
Its second NB sp props C-3_3_2_0:N-3_2_0:O-2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C-1_0_0_0:N-1_0_0:O-1
Its hashing is 930
Atom 41 : 
Its ID O9P
Its element type O
Its COD root atom type O
Its acedrg atom type O(CCN)
Its acedrg atom main type O(CCN)
Its base ring type 
Its ccp4 atom type O
Its second NB sp props C-3_2_2
Its number of extra-electrons is 1
Its second NB extra-electron sign is C-1_0_0
Its hashing is 955
Atom 42 : 
Its ID CAP
Its element type C
Its COD root atom type C
Its acedrg atom type C(CC3)(CNO)(OH)(H)
Its acedrg atom main type C(CC3)(CNO)(OH)(H)
Its base ring type 
Its ccp4 atom type CH1
Its second NB sp props C-3_2_2:C-3_3_3_3:H-3:O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-1_0_0:H-0:O-0_0
Its hashing is 490
Atom 43 : 
Its ID OAP
Its element type O
Its COD root atom type O
Its acedrg atom type O(CCCH)(H)
Its acedrg atom main type O(CCCH)(H)
Its base ring type 
Its ccp4 atom type OH1
Its second NB sp props C-3_3_2_0:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-1_0_0_0:H-0
Its hashing is 960
Atom 44 : 
Its ID CBP
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCHO)(CHHO)(CH3)2
Its acedrg atom main type C(CCHO)(CHHO)(CH3)2
Its base ring type 
Its ccp4 atom type CT
Its second NB sp props C-3_0_0_0:C-3_0_0_0:C-3_3_0_0:C-3_3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0
Its hashing is 490
Atom 45 : 
Its ID CCP
Its element type C
Its COD root atom type C
Its acedrg atom type C(CC3)(OP)(H)2
Its acedrg atom main type C(CC3)(OP)(H)2
Its base ring type 
Its ccp4 atom type CH2
Its second NB sp props C-3_3_3_3:H-3:H-3:O-3_3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:O-3_0
Its hashing is 490
Atom 46 : 
Its ID CDP
Its element type C
Its COD root atom type C
Its acedrg atom type C(CC3)(H)3
Its acedrg atom main type C(CC3)(H)3
Its base ring type 
Its ccp4 atom type CH3
Its second NB sp props C-3_3_3_3:H-3:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:H-0
Its hashing is 490
Atom 47 : 
Its ID CEP
Its element type C
Its COD root atom type C
Its acedrg atom type C(CC3)(H)3
Its acedrg atom main type C(CC3)(H)3
Its base ring type 
Its ccp4 atom type CH3
Its second NB sp props C-3_3_3_3:H-3:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:H-0
Its hashing is 490
Atom 48 : 
Its ID CG1
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCCH)(H)3
Its acedrg atom main type C(CCCH)(H)3
Its base ring type 
Its ccp4 atom type CH3
Its second NB sp props C-3_3_3_0:H-3:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:H-0
Its hashing is 490
Atom 49 : 
Its ID CG2
Its element type C
Its COD root atom type C
Its acedrg atom type C(CCCH)(H)3
Its acedrg atom main type C(CCCH)(H)3
Its base ring type 
Its ccp4 atom type CH3
Its second NB sp props C-3_3_3_0:H-3:H-3:H-3
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0:H-0:H-0:H-0
Its hashing is 490
Atom 50 : 
Its ID H
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCCS)
Its acedrg atom main type H(CCCS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 51 : 
Its ID HN
Its element type H
Its COD root atom type H
Its acedrg atom type H(NCS)
Its acedrg atom main type H(NCS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-0_0_0
Its hashing is 690
Atom 52 : 
Its ID H1
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHS)
Its acedrg atom main type H(CCHS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 53 : 
Its ID H1A
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHS)
Its acedrg atom main type H(CCHS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 54 : 
Its ID HO1
Its element type H
Its COD root atom type H
Its acedrg atom type H(OC[5])
Its acedrg atom main type H(OC[5])
Its base ring type 
Its ccp4 atom type H
Its second NB sp props O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is O-0_0
Its hashing is 690
Atom 55 : 
Its ID H2
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[6a]N[6a]2)
Its acedrg atom main type H(C[6a]N[6a]2)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[6a]-2_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[6a]-1_1_0
Its hashing is 690
Atom 56 : 
Its ID HN2
Its element type H
Its COD root atom type H
Its acedrg atom type H(NCH)
Its acedrg atom main type H(NCH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-0_0_0
Its hashing is 690
Atom 57 : 
Its ID HN2A
Its element type H
Its COD root atom type H
Its acedrg atom type H(NCH)
Its acedrg atom main type H(NCH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-0_0_0
Its hashing is 690
Atom 58 : 
Its ID HO2
Its element type H
Its COD root atom type H
Its acedrg atom type H(OC[5])
Its acedrg atom main type H(OC[5])
Its base ring type 
Its ccp4 atom type H
Its second NB sp props O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is O-0_0
Its hashing is 690
Atom 59 : 
Its ID H3
Its element type H
Its COD root atom type H
Its acedrg atom type H(CC[5]HN)
Its acedrg atom main type H(CC[5]HN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 60 : 
Its ID H3A
Its element type H
Its COD root atom type H
Its acedrg atom type H(CC[5]HN)
Its acedrg atom main type H(CC[5]HN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 61 : 
Its ID HN6
Its element type H
Its COD root atom type H
Its acedrg atom type H(NC[6a]H)
Its acedrg atom main type H(NC[6a]H)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-1_0_0
Its hashing is 690
Atom 62 : 
Its ID HN6A
Its element type H
Its COD root atom type H
Its acedrg atom type H(NC[6a]H)
Its acedrg atom main type H(NC[6a]H)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-1_0_0
Its hashing is 690
Atom 63 : 
Its ID H8
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[5a]N[5a]2)
Its acedrg atom main type H(C[5a]N[5a]2)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[5a]-3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5a]-1_0_0
Its hashing is 690
Atom 64 : 
Its ID HA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCCN)
Its acedrg atom main type H(CCCN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 65 : 
Its ID HB
Its element type H
Its COD root atom type H
Its acedrg atom type H(CC3)
Its acedrg atom main type H(CC3)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 66 : 
Its ID H1'
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[5]N[5a]C[5]O[5])
Its acedrg atom main type H(C[5]N[5a]C[5]O[5])
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0
Its hashing is 690
Atom 67 : 
Its ID H2'
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[5]C[5]2O)
Its acedrg atom main type H(C[5]C[5]2O)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0
Its hashing is 690
Atom 68 : 
Its ID H2P
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHS)
Its acedrg atom main type H(CCHS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 69 : 
Its ID H2PA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHS)
Its acedrg atom main type H(CCHS)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 70 : 
Its ID H3'
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[5]C[5]2O)
Its acedrg atom main type H(C[5]C[5]2O)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0
Its hashing is 690
Atom 71 : 
Its ID H3P
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHN)
Its acedrg atom main type H(CCHN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 72 : 
Its ID H3PA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHN)
Its acedrg atom main type H(CCHN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 73 : 
Its ID H4'
Its element type H
Its COD root atom type H
Its acedrg atom type H(C[5]C[5]O[5]C)
Its acedrg atom main type H(C[5]C[5]O[5]C)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C[5]-3_3_3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C[5]-0_0_0_0
Its hashing is 690
Atom 74 : 
Its ID HN4P
Its element type H
Its COD root atom type H
Its acedrg atom type H(NCC)
Its acedrg atom main type H(NCC)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-1_0_0
Its hashing is 690
Atom 75 : 
Its ID H6P
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCCH)
Its acedrg atom main type H(CCCH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-1_0_0_0
Its hashing is 690
Atom 76 : 
Its ID H6PA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCCH)
Its acedrg atom main type H(CCCH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-1_0_0_0
Its hashing is 690
Atom 77 : 
Its ID H7P
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHN)
Its acedrg atom main type H(CCHN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 78 : 
Its ID H7PA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHN)
Its acedrg atom main type H(CCHN)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_2_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 79 : 
Its ID HN8P
Its element type H
Its COD root atom type H
Its acedrg atom type H(NCC)
Its acedrg atom main type H(NCC)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props N-3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is N-1_0_0
Its hashing is 690
Atom 80 : 
Its ID HAP
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCCO)
Its acedrg atom main type H(CCCO)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_2_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-1_0_0_0
Its hashing is 690
Atom 81 : 
Its ID HOAP
Its element type H
Its COD root atom type H
Its acedrg atom type H(OC)
Its acedrg atom main type H(OC)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props O-3_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is O-0_0
Its hashing is 690
Atom 82 : 
Its ID HCP
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHO)
Its acedrg atom main type H(CCHO)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 83 : 
Its ID HCPA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHO)
Its acedrg atom main type H(CCHO)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_3_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 84 : 
Its ID HDP
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 85 : 
Its ID HDPA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 86 : 
Its ID HDPB
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 87 : 
Its ID HEP
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 88 : 
Its ID HEPA
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 89 : 
Its ID HEPB
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 90 : 
Its ID HG1
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 91 : 
Its ID HG1A
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 92 : 
Its ID HG1B
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 93 : 
Its ID HG2
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 94 : 
Its ID HG2A
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Atom 95 : 
Its ID HG2B
Its element type H
Its COD root atom type H
Its acedrg atom type H(CCHH)
Its acedrg atom main type H(CCHH)
Its base ring type 
Its ccp4 atom type H
Its second NB sp props C-3_0_0_0
Its number of extra-electrons is 0
Its second NB extra-electron sign is C-0_0_0_0
Its hashing is 690
Clustering COD org bonds started at Wed Mar 30 21:42:26 2022
Finish clustering COD org bonds 
finished at Wed Mar 30 21:42:34 2022
it takes 8 seconds to finish group COD bonds 
Group COD bonds involving metal elements 
Search for  all target bonds started at Wed Mar 30 21:42:34 2022
Bond between C and C1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C and C1
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:4:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0:S-1_1_0_0
 a1M C(CCHN)(CHHS)(SC)(H) a2M C(CCHS)(SNOO)(H)2
 a1C C(CCHN)(CHHS)(SC)(H) a2C C(CCHS)(SNOO)(H)2
atom 1 CH1  atom 2 CH2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:4:1:1:
 find C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
The end search level is 6
The sig value is 0.0178
Finally bond sig is 0.0178
The final target bond value is 1.52
Its sig value is 0.0178

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C and CA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CA and C
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:3:1: a2NB2 4:4:2:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
 a1M C(CCCH)(CCHS)(NHH)(H) a2M C(CCHN)(CHHS)(SC)(H)
 a1C C(CCCH)(CCHS)(NHH)(H) a2C C(CCHN)(CHHS)(SC)(H)
atom 1 CH1  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:3:1:
find 4:4:2:1:
 find C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0
 find C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
The end search level is 4
The sig value is 0.00878
Finally bond sig is 0.00878
The final target bond value is 1.54
Its sig value is 0.00878

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C and S1P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C and S1P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 975
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:4:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0:C-0_0_0_0
 a1M C(CCHN)(CHHS)(SC)(H) a2M S(CCCH)(CCHH)
 a1C C(CCHN)(CHHS)(SC)(H) a2C S(CCCH)(CCHH)
atom 1 CH1  atom 2 S2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:4:
 find C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
The end search level is 6
The sig value is 0.0107
Finally bond sig is 0.0107
The final target bond value is 1.84
Its sig value is 0.0107

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N and S

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N and S
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 985
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:1: a2NB2 4:3:1:1:
 a1NB1NB2 C-0_0_0_0:H-0:S-1_1_0_0 a2NB1NB2 C-0_0_0_0:N-0_0_0:O-0:O-0
 a1M N(CC[5]HH)(SCOO)(H) a2M S(CCHH)(NCH)(O)2
 a1C N(CC[5]HH)(SCOO)(H) a2C S(CCHH)(NCH)(O)2
atom 1 NT1  atom 2 S3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:1:
find 4:3:1:1:
 find C-0_0_0_0:H-0:S-1_1_0_0
 find C-0_0_0_0:N-0_0_0:O-0:O-0
The end search level is 4
The sig value is 0.0112
Finally bond sig is 0.0112
The final target bond value is 1.61
Its sig value is 0.0112

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N and C3

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3 and N
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 670
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:4:1:
 a1NB1NB2 C[5]-0_0_0_0:H-0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0:H-0:S-1_1_0_0
 a1M C(C[5]C[5]O[5]H)(NHS)(H)2 a2M N(CC[5]HH)(SCOO)(H)
 a1C C(C[5]C[5]O[5]H)(NHS)(H)2 a2C N(CC[5]HH)(SCOO)(H)
atom 1 CH2  atom 2 NT1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:4:1:
 find C[5]-0_0_0_0:H-0:H-0:N-0_0_0
The end search level is 4
The sig value is 0.0112
Finally bond sig is 0.0112
The final target bond value is 1.47
Its sig value is 0.0112

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between S and C1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1 and S
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 985
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:1:1: a2NB2 4:3:1:1:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-1_1_0_0 a2NB1NB2 C-0_0_0_0:N-0_0_0:O-0:O-0
 a1M C(CCHS)(SNOO)(H)2 a2M S(CCHH)(NCH)(O)2
 a1C C(CCHS)(SNOO)(H)2 a2C S(CCHH)(NCH)(O)2
atom 1 CH2  atom 2 S3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:1:1:
find 4:3:1:1:
The end search level is 5
The sig value is 0.0138
Finally bond sig is 0.0138
The final target bond value is 1.78
Its sig value is 0.0138

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between S and O2P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O2P and S
The bond is not within the same ring.
Bond order is DOUBLE
ha1 955 ha2 985
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4: a2NB2 4:3:1:1:
 a1NB1NB2 S-1_1_0_0 a2NB1NB2 C-0_0_0_0:N-0_0_0:O-0:O-0
 a1M O(SCNO) a2M S(CCHH)(NCH)(O)2
 a1C O(SCNO) a2C S(CCHH)(NCH)(O)2
atom 1 O  atom 2 S3
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:
find 4:3:1:1:
 find S-1_1_0_0
 find C-0_0_0_0:N-0_0_0:O-0:O-0
 find O(SCNO)
 find S(CCHH)(NCH)(O)2
 find O(SCNO)
 find S(CCHH)(NCH)(O)2
Found exact matches of atom cod-classes 
Number of value associate it 2
the table sigma 0.0021
Bond sig is 0.00845
The end search level is 1
The sig value is 0.00845
Finally bond sig is 0.00845
The final target bond value is 1.43
Its sig value is 0.00845

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between S and O3P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O3P and S
The bond is not within the same ring.
Bond order is DOUBLE
ha1 955 ha2 985
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4: a2NB2 4:3:1:1:
 a1NB1NB2 S-1_1_0_0 a2NB1NB2 C-0_0_0_0:N-0_0_0:O-0:O-0
 a1M O(SCNO) a2M S(CCHH)(NCH)(O)2
 a1C O(SCNO) a2C S(CCHH)(NCH)(O)2
atom 1 O  atom 2 S3
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:
find 4:3:1:1:
 find S-1_1_0_0
 find C-0_0_0_0:N-0_0_0:O-0:O-0
 find O(SCNO)
 find S(CCHH)(NCH)(O)2
 find O(SCNO)
 find S(CCHH)(NCH)(O)2
Found exact matches of atom cod-classes 
Number of value associate it 2
the table sigma 0.0021
Bond sig is 0.00845
The end search level is 1
The sig value is 0.00845
Finally bond sig is 0.00845
The final target bond value is 1.43
Its sig value is 0.00845

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N1 and C2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N1 and C2
The bond is within the same ring.
ha1 371 ha2 643
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 2:2:1:
 a1NB1NB2 C[6a]-1_1_0:C[6a]-1_1_0 a2NB1NB2 H-1:N[6a]-1_1:N[6a]-1_1
 a1M N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H) a2M C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
 a1C N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>} a2C C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
atom 1 CR16  atom 2 NRD6
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 2:2:1:
 find C[6a]-1_1_0:C[6a]-1_1_0
 find H-1:N[6a]-1_1:N[6a]-1_1
 find N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
 find N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
Found exact matches of atom cod-classes 
Number of value associate it 80
the table sigma 0.0074
Finally bond sig is 0.0074
The final target bond value is 1.34
Its sig value is 0.0074

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N1 and C6

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N1 and C6
The bond is within the same ring.
ha1 371 ha2 643
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 3:2:3:
 a1NB1NB2 C[6a]-1_1_0:C[6a]-1_1_0 a2NB1NB2 C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1
 a1M N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H) a2M C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
 a1C N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>} a2C C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}
atom 1 CR6  atom 2 NRD6
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 3:2:3:
 find C[6a]-1_1_0:C[6a]-1_1_0
 find C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1
 find N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
 find N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}
Found exact matches of atom cod-classes 
Number of value associate it 65
the table sigma 0.0082
Finally bond sig is 0.0082
The final target bond value is 1.35
Its sig value is 0.0082

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O1 and C3'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3' and O1
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 960
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C[5]-0_0_0_0:H-0
 a1M C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H) a2M O(C[5]C[5]2H)(H)
 a1C C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>} a2C O(C[5]C[5]2H)(H)
atom 1 CH1  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5]-0_0_0_0:H-0
 find C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
 find O(C[5]C[5]2H)(H)
The end search level is 0
The sig value is 0.0077
Finally bond sig is 0.0077
The final target bond value is 1.42
Its sig value is 0.0077

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2 and N3

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N3 and C2
The bond is within the same ring.
ha1 371 ha2 643
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 2:2:1:
 a1NB1NB2 C[5a,6a]-1_1_0:C[6a]-1_1_0 a2NB1NB2 H-1:N[6a]-1_1:N[6a]-1_1
 a1M N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H) a2M C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
 a1C N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>} a2C C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
atom 1 CR16  atom 2 NRD6
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 2:2:1:
 find C[5a,6a]-1_1_0:C[6a]-1_1_0
 find H-1:N[6a]-1_1:N[6a]-1_1
 find N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
 find N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
Found exact matches of atom cod-classes 
Number of value associate it 79
the table sigma 0.0066
Finally bond sig is 0.0066
The final target bond value is 1.33
Its sig value is 0.0066

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N2 and CA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CA and N2
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 670
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:3:1: a2NB2 4:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0
 a1M C(CCCH)(CCHS)(NHH)(H) a2M N(CCCH)(H)2
 a1C C(CCCH)(CCHS)(NHH)(H) a2C N(CCCH)(H)2
atom 1 CH1  atom 2 NT2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:3:1:
find 4:1:1:
 find C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0
 find C-0_0_0_0:H-0:H-0
The end search level is 2
The sig value is 0.0134
Finally bond sig is 0.0134
The final target bond value is 1.48
Its sig value is 0.0134

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O2 and C2'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2' and O2
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 960
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C[5]-0_0_0_0:H-0
 a1M C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H) a2M O(C[5]C[5]2H)(H)
 a1C C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>} a2C O(C[5]C[5]2H)(H)
atom 1 CH1  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5]-0_0_0_0:H-0
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
 find O(C[5]C[5]2H)(H)
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
 find O(C[5]C[5]2H)(H)
Found exact matches of atom cod-classes 
Number of value associate it 15
the table sigma 0.0065
Finally bond sig is 0.0065
The final target bond value is 1.41
Its sig value is 0.0065

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3 and C4'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C4' and C3
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:2:4:1: a2NB2 4:3:1:1:
 a1NB1NB2 C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0 a2NB1NB2 C[5]-0_0_0_0:H-0:H-0:N-0_0_0
 a1M C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H) a2M C(C[5]C[5]O[5]H)(NHS)(H)2
 a1C C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>} a2C C(C[5]C[5]O[5]H)(NHS)(H)2
atom 1 CH2  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:2:4:1:
find 4:3:1:1:
 find C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 find C[5]-0_0_0_0:H-0:H-0:N-0_0_0
The end search level is 4
The sig value is 0.0118
Finally bond sig is 0.0118
The final target bond value is 1.52
Its sig value is 0.0118

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N3 and C4

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N3 and C4
The bond is within the same ring.
ha1 371 ha2 727
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 3:3:2:
 a1NB1NB2 C[5a,6a]-1_1_0:C[6a]-1_1_0 a2NB1NB2 C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1
 a1M N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H) a2M C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
 a1C N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>} a2C C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}
atom 1 CR56  atom 2 NRD6
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 3:3:2:
 find C[5a,6a]-1_1_0:C[6a]-1_1_0
 find C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1
 find N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
 find C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
 find N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}
 find C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}
Found exact matches of atom cod-classes 
Number of value associate it 21
the table sigma 0.0098
Finally bond sig is 0.0098
The final target bond value is 1.34
Its sig value is 0.0098

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O3 and P2A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O3 and P2A
The bond is not within the same ring.
Bond order is SINGLE
ha1 955 ha2 981
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 3: a2NB2 2:1:1:
 a1NB1NB2 P-1_0_0 a2NB1NB2 O-3_0:O-3:O-3
 a1M O(POO) a2M P(OC)(O)2
 a1C O(POO) a2C P(OC)(O)2
atom 1 OP  atom 2 P1
Found all hashing codes 
Finally bond sig is 0.0103
The final target bond value is 1.49
Its sig value is 0.0103

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C4 and C5

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C4 and C5
The bond is within the same ring.
ha1 727 ha2 727
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3:2: a2NB2 3:3:2:
 a1NB1NB2 C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1 a2NB1NB2 C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 a1M C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]) a2M C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 a1C C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>} a2C C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
atom 1 CR56  atom 2 CR56
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:2:
find 3:3:2:
 find C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1
 find C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 find C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 find C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
Found exact matches of atom cod-classes 
Number of value associate it 16
the table sigma 0.0091
Finally bond sig is 0.0091
The final target bond value is 1.38
Its sig value is 0.0091

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C4 and N9

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C4 and N9
The bond is within the same ring.
ha1 727 ha2 813
the hybr-combination is SP2_SP3
In or not in the same ring Y
 a1NB2 3:3:2: a2NB2 3:4:3:
 a1NB1NB2 C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1 a2NB1NB2 C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 a1M C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]) a2M N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
 a1C C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>} a2C N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}
atom 1 CR56  atom 2 NT
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop Y
find 3:3:2:
find 3:4:3:
 find C[5a,6a]-1_1_1:N[5a]-1_1_0:N[6a]-1_1
 find C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 find C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
 find N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
The end search level is 4
The sig value is 0.00749
Finally bond sig is 0.00749
The final target bond value is 1.37
Its sig value is 0.00749

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C5 and C6

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C6 and C5
The bond is within the same ring.
ha1 643 ha2 727
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:2:3: a2NB2 3:3:2:
 a1NB1NB2 C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1 a2NB1NB2 C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 a1M C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH) a2M C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 a1C C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>} a2C C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
atom 1 CR56  atom 2 CR6
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:2:3:
find 3:3:2:
 find C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1
 find C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
Found exact matches of atom cod-classes 
Number of value associate it 48
the table sigma 0.009
Finally bond sig is 0.009
The final target bond value is 1.41
Its sig value is 0.009

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C5 and N7

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N7 and C5
The bond is within the same ring.
ha1 519 ha2 727
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 3:3:2:
 a1NB1NB2 C[5a,6a]-1_1_1:C[5a]-1_0_0 a2NB1NB2 C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 a1M N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H) a2M C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 a1C N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>} a2C C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
atom 1 CR56  atom 2 NRD5
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 3:3:2:
 find C[5a,6a]-1_1_1:C[5a]-1_0_0
 find C[5a,6a]-1_1_0:C[6a]-1_1_0:N[5a]-1_1
 find N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
 find N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}
 find C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}
Found exact matches of atom cod-classes 
Number of value associate it 75
the table sigma 0.0069
Finally bond sig is 0.0069
The final target bond value is 1.39
Its sig value is 0.0069

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C6 and N6

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C6 and N6
The bond is not within the same ring.
Bond order is SINGLE
ha1 643 ha2 670
the hybr-combination is SP2_SP2
In or not in the same ring N
 a1NB2 3:2:3: a2NB2 3:1:1:
 a1NB1NB2 C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1 a2NB1NB2 C[6a]-1_1_0:H-0:H-0
 a1M C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH) a2M N(C[6a]C[5a,6a]N[6a])(H)2
 a1C C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>} a2C N(C[6a]C[5a,6a]N[6a])(H)2
atom 1 CR6  atom 2 NH2
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop N
find 3:2:3:
find 3:1:1:
 find C[5a,6a]-1_1_1:N-1_0_0:N[6a]-1_1
 find C[6a]-1_1_0:H-0:H-0
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
 find N(C[6a]C[5a,6a]N[6a])(H)2
 find C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}
 find N(C[6a]C[5a,6a]N[6a])(H)2
Found exact matches of atom cod-classes 
Number of value associate it 54
the table sigma 0.009
Finally bond sig is 0.009
The final target bond value is 1.33
Its sig value is 0.009

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N7 and C8

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N7 and C8
The bond is within the same ring.
ha1 519 ha2 727
the hybr-combination is SP2_SP2
In or not in the same ring Y
 a1NB2 3:3: a2NB2 3:2:1:
 a1NB1NB2 C[5a,6a]-1_1_1:C[5a]-1_0_0 a2NB1NB2 H-1:N[5a]-1_1_0:N[5a]-1_1
 a1M N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H) a2M C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
 a1C N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>} a2C C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}
atom 1 CR15  atom 2 NRD5
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop Y
find 3:3:
find 3:2:1:
 find C[5a,6a]-1_1_1:C[5a]-1_0_0
 find H-1:N[5a]-1_1_0:N[5a]-1_1
 find N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
 find C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
 find N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}
 find C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}
Found exact matches of atom cod-classes 
Number of value associate it 20
the table sigma 0.0066
Finally bond sig is 0.0066
The final target bond value is 1.31
Its sig value is 0.0066

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C8 and N9

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C8 and N9
The bond is within the same ring.
ha1 727 ha2 813
the hybr-combination is SP2_SP3
In or not in the same ring Y
 a1NB2 3:2:1: a2NB2 3:4:3:
 a1NB1NB2 H-1:N[5a]-1_1_0:N[5a]-1_1 a2NB1NB2 C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 a1M C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H) a2M N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
 a1C C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>} a2C N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}
atom 1 CR15  atom 2 NT
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop Y
find 3:2:1:
find 3:4:3:
 find H-1:N[5a]-1_1_0:N[5a]-1_1
 find C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 find C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
The end search level is 7
The sig value is 0.0223
Finally bond sig is 0.0223
The final target bond value is 1.37
Its sig value is 0.0223

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N9 and C1'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1' and N9
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 813
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 3:4:2:1: a2NB2 3:4:3:
 a1NB1NB2 C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0 a2NB1NB2 C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 a1M C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H) a2M N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
 a1C C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>} a2C N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}
atom 1 CH1  atom 2 NT
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 3:4:2:1:
find 3:4:3:
 find C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
 find C[5a,6a]-1_1_0:C[5a]-1_0_0:C[5]-0_0_0_0
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
 find N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
 find N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}
Found exact matches of atom cod-classes 
Number of value associate it 1
the table sigma 0
The end search level is 4
The sig value is 0.0218
Finally bond sig is 0.0218
The final target bond value is 1.46
Its sig value is 0.0218

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CA and CB

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CA and CB
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:3:1: a2NB2 4:4:4:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
 a1M C(CCCH)(CCHS)(NHH)(H) a2M C(CCHN)(CH3)2(H)
 a1C C(CCCH)(CCHS)(NHH)(H) a2C C(CCHN)(CH3)2(H)
atom 1 CH1  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:3:1:
find 4:4:4:1:
 find C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
The end search level is 2
The sig value is 0.00689
Finally bond sig is 0.00689
The final target bond value is 1.54
Its sig value is 0.00689

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CB and CG1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CB and CG1
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:1: a2NB2 4:1:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0 a2NB1NB2 C-0_0_0_0:H-0:H-0:H-0
 a1M C(CCHN)(CH3)2(H) a2M C(CCCH)(H)3
 a1C C(CCHN)(CH3)2(H) a2C C(CCCH)(H)3
atom 1 CH1  atom 2 CH3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:1:
find 4:1:1:1:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
 find C-0_0_0_0:H-0:H-0:H-0
 find C(CCHN)(CH3)2(H)
 find C(CCCH)(H)3
 find C(CCHN)(CH3)2(H)
 find C(CCCH)(H)3
Found exact matches of atom cod-classes 
Number of value associate it 515
the table sigma 0.0128
Finally bond sig is 0.0128
The final target bond value is 1.52
Its sig value is 0.0128

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CB and CG2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CB and CG2
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:1: a2NB2 4:1:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0 a2NB1NB2 C-0_0_0_0:H-0:H-0:H-0
 a1M C(CCHN)(CH3)2(H) a2M C(CCCH)(H)3
 a1C C(CCHN)(CH3)2(H) a2C C(CCCH)(H)3
atom 1 CH1  atom 2 CH3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:1:
find 4:1:1:1:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
 find C-0_0_0_0:H-0:H-0:H-0
 find C(CCHN)(CH3)2(H)
 find C(CCCH)(H)3
 find C(CCHN)(CH3)2(H)
 find C(CCCH)(H)3
Found exact matches of atom cod-classes 
Number of value associate it 515
the table sigma 0.0128
Finally bond sig is 0.0128
The final target bond value is 1.52
Its sig value is 0.0128

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C1' and C2'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1' and C2'
The bond is within the same ring.
ha1 474 ha2 474
the hybr-combination is SP3_SP3
In or not in the same ring Y
 a1NB2 3:4:2:1: a2NB2 4:4:2:1:
 a1NB1NB2 C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0 a2NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 a1M C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H) a2M C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
 a1C C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>} a2C C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
atom 1 CH1  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop Y
find 3:4:2:1:
find 4:4:2:1:
 find C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
Found exact matches of atom cod-classes 
Number of value associate it 7
the table sigma 0.0084
Finally bond sig is 0.0084
The final target bond value is 1.53
Its sig value is 0.0084

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C1' and O4'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O4' and C1'
The bond is within the same ring.
ha1 358 ha2 474
the hybr-combination is SP3_SP3
In or not in the same ring Y
 a1NB2 4:4: a2NB2 3:4:2:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0 a2NB1NB2 C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
 a1M O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH) a2M C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
 a1C O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>} a2C C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
atom 1 CH1  atom 2 O2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop Y
find 4:4:
find 3:4:2:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0
 find C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
 find O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
 find O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
Found exact matches of atom cod-classes 
Number of value associate it 16
the table sigma 0.0077
Finally bond sig is 0.0077
The final target bond value is 1.41
Its sig value is 0.0077

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between S1P and C2P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2P and S1P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 975
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0:C-0_0_0_0
 a1M C(CHHN)(SC)(H)2 a2M S(CCCH)(CCHH)
 a1C C(CHHN)(SC)(H)2 a2C S(CCCH)(CCHH)
atom 1 CH2  atom 2 S2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:4:
 find C-0_0_0_0:H-0:H-0:S-0_0
 find C-0_0_0_0:C-0_0_0_0
 find C(CHHN)(SC)(H)2
The end search level is 3
The sig value is 0.0192
Finally bond sig is 0.0192
The final target bond value is 1.81
Its sig value is 0.0192

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2' and C3'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2' and C3'
The bond is within the same ring.
ha1 474 ha2 474
the hybr-combination is SP3_SP3
In or not in the same ring Y
 a1NB2 4:4:2:1: a2NB2 4:4:2:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 a1M C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H) a2M C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
 a1C C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>} a2C C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}
atom 1 CH1  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop Y
find 4:4:2:1:
find 4:4:2:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
 find C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
 find C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}
Found exact matches of atom cod-classes 
Number of value associate it 15
the table sigma 0.0068
Finally bond sig is 0.0068
The final target bond value is 1.53
Its sig value is 0.0068

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between P2A and O4A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O4A and P2A
The bond is not within the same ring.
Bond order is DOUBLE
ha1 955 ha2 981
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 3: a2NB2 2:1:1:
 a1NB1NB2 P-1_0_0 a2NB1NB2 O-3_0:O-3:O-3
 a1M O(POO) a2M P(OC)(O)2
 a1C O(POO) a2C P(OC)(O)2
atom 1 O  atom 2 P1
Found all hashing codes 
Finally bond sig is 0.0103
The final target bond value is 1.49
Its sig value is 0.0103

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between P2A and O6A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O6A and P2A
The bond is not within the same ring.
Bond order is SINGLE
ha1 960 ha2 981
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:3: a2NB2 2:1:1:
 a1NB1NB2 C-0_0_0_0:P-1_0_0 a2NB1NB2 O-3_0:O-3:O-3
 a1M O(CCHH)(POO) a2M P(OC)(O)2
 a1C O(CCHH)(POO) a2C P(OC)(O)2
atom 1 O2  atom 2 P1
Found all hashing codes 
The end search level is 11
The sig value is 0.0598
Finally bond sig is 0.0598
The final target bond value is 1.65
Its sig value is 0.0598

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2P and C3P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3P and C2P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:2:1:1:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0:S-0_0
 a1M C(CHHS)(NCH)(H)2 a2M C(CHHN)(SC)(H)2
 a1C C(CHHS)(NCH)(H)2 a2C C(CHHN)(SC)(H)2
atom 1 CH2  atom 2 CH2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:2:1:1:
 find C-0_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0:H-0:H-0:S-0_0
 find C(CHHS)(NCH)(H)2
 find C(CHHN)(SC)(H)2
 find C(CHHS)(NCH)(H)2
 find C(CHHN)(SC)(H)2
Found exact matches of atom cod-classes 
Number of value associate it 16
the table sigma 0.0098
Finally bond sig is 0.0098
The final target bond value is 1.52
Its sig value is 0.0098

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3' and C4'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3' and C4'
The bond is within the same ring.
ha1 474 ha2 474
the hybr-combination is SP3_SP3
In or not in the same ring Y
 a1NB2 4:4:2:1: a2NB2 4:2:4:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 a1M C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H) a2M C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
 a1C C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>} a2C C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}
atom 1 CH1  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop Y
find 4:4:2:1:
find 4:2:4:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 find C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
The end search level is 3
The sig value is 0.0117
Finally bond sig is 0.0117
The final target bond value is 1.53
Its sig value is 0.0117

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3P and N4P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3P and N4P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 670
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:3:1:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0:C-1_0_0:H-0
 a1M C(CHHS)(NCH)(H)2 a2M N(CCHH)(CCO)(H)
 a1C C(CHHS)(NCH)(H)2 a2C N(CCHH)(CCO)(H)
atom 1 CH2  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:3:1:
 find C-0_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0:C-1_0_0:H-0
 find C(CHHS)(NCH)(H)2
 find N(CCHH)(CCO)(H)
 find C(CHHS)(NCH)(H)2
 find N(CCHH)(CCO)(H)
Found exact matches of atom cod-classes 
Number of value associate it 1
the table sigma 0
Bond sig is 0.00643
The end search level is 1
The sig value is 0.00643
Finally bond sig is 0.00643
The final target bond value is 1.45
Its sig value is 0.00643

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C4' and O4'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms O4' and C4'
The bond is within the same ring.
ha1 358 ha2 474
the hybr-combination is SP3_SP3
In or not in the same ring Y
 a1NB2 4:4: a2NB2 4:2:4:1:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0 a2NB1NB2 C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 a1M O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH) a2M C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
 a1C O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>} a2C C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}
atom 1 CH1  atom 2 O2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop Y
find 4:4:
find 4:2:4:1:
 find C[5]-0_0_0_0:C[5]-0_0_0_0
 find C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 find O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Bond sig is 0.00978
The end search level is 1
The sig value is 0.00978
Finally bond sig is 0.00978
The final target bond value is 1.45
Its sig value is 0.00978

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N4P and C5P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N4P and C5P
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 930
the hybr-combination is SP2_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 4:3:1:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0 a2NB1NB2 C-1_0_0_0:N-1_0_0:O-1
 a1M N(CCHH)(CCO)(H) a2M C(CCHH)(NCH)(O)
 a1C N(CCHH)(CCO)(H) a2C C(CCHH)(NCH)(O)
atom 1 C  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop N
find 4:3:1:
find 4:3:1:
 find C-0_0_0_0:C-1_0_0:H-0
 find C-1_0_0_0:N-1_0_0:O-1
 find N(CCHH)(CCO)(H)
Bond sig is 0.0118
The end search level is 1
The sig value is 0.0118
Finally bond sig is 0.0118
The final target bond value is 1.34
Its sig value is 0.0118

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C5P and O5P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C5P and O5P
The bond is not within the same ring.
Bond order is DOUBLE
ha1 930 ha2 955
the hybr-combination is SP2_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 3:
 a1NB1NB2 C-1_0_0_0:N-1_0_0:O-1 a2NB1NB2 C-1_0_0
 a1M C(CCHH)(NCH)(O) a2M O(CCN)
 a1C C(CCHH)(NCH)(O) a2C O(CCN)
atom 1 C  atom 2 O
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop N
find 4:3:1:
find 3:
 find C-1_0_0_0:N-1_0_0:O-1
 find C-1_0_0
The end search level is 2
The sig value is 0.0102
Finally bond sig is 0.0102
The final target bond value is 1.23
Its sig value is 0.0102

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C5P and C6P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C6P and C5P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 930
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:3:1:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:H-0 a2NB1NB2 C-1_0_0_0:N-1_0_0:O-1
 a1M C(CHHN)(CNO)(H)2 a2M C(CCHH)(NCH)(O)
 a1C C(CHHN)(CNO)(H)2 a2C C(CCHH)(NCH)(O)
atom 1 C  atom 2 CH2
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:3:1:
 find C-0_0_0_0:C-1_0_0:H-0:H-0
 find C-1_0_0_0:N-1_0_0:O-1
 find C(CHHN)(CNO)(H)2
 find C(CCHH)(NCH)(O)
 find C(CHHN)(CNO)(H)2
 find C(CCHH)(NCH)(O)
Found exact matches of atom cod-classes 
Number of value associate it 26
the table sigma 0.0069
Finally bond sig is 0.0069
The final target bond value is 1.51
Its sig value is 0.0069

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O6A and CCP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CCP and O6A
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 960
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:3:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:O-3_0 a2NB1NB2 C-0_0_0_0:P-1_0_0
 a1M C(CC3)(OP)(H)2 a2M O(CCHH)(POO)
 a1C C(CC3)(OP)(H)2 a2C O(CCHH)(POO)
atom 1 CH2  atom 2 O2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:3:
The end search level is 6
The sig value is 0.00922
Finally bond sig is 0.00922
The final target bond value is 1.45
Its sig value is 0.00922

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C6P and C7P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C7P and C6P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:3:1:1:
 a1NB1NB2 C-1_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0:C-1_0_0:H-0:H-0
 a1M C(CCHH)(NCH)(H)2 a2M C(CHHN)(CNO)(H)2
 a1C C(CCHH)(NCH)(H)2 a2C C(CHHN)(CNO)(H)2
atom 1 CH2  atom 2 CH2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:3:1:1:
 find C-1_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0:C-1_0_0:H-0:H-0
 find C(CCHH)(NCH)(H)2
 find C(CHHN)(CNO)(H)2
 find C(CCHH)(NCH)(H)2
 find C(CHHN)(CNO)(H)2
Found exact matches of atom cod-classes 
Number of value associate it 16
the table sigma 0.0195
Finally bond sig is 0.0195
The final target bond value is 1.51
Its sig value is 0.0195

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C7P and N8P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C7P and N8P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 670
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:3:1:
 a1NB1NB2 C-1_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0:C-1_0_0:H-0
 a1M C(CCHH)(NCH)(H)2 a2M N(CCHH)(CCO)(H)
 a1C C(CCHH)(NCH)(H)2 a2C N(CCHH)(CCO)(H)
atom 1 CH2  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:3:1:
 find C-1_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0:C-1_0_0:H-0
 find C(CCHH)(NCH)(H)2
 find N(CCHH)(CCO)(H)
 find C(CCHH)(NCH)(H)2
 find N(CCHH)(CCO)(H)
Found exact matches of atom cod-classes 
Number of value associate it 88
the table sigma 0.0082
Finally bond sig is 0.0082
The final target bond value is 1.46
Its sig value is 0.0082

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N8P and C9P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N8P and C9P
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 930
the hybr-combination is SP2_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 4:3:1:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0 a2NB1NB2 C-1_0_0_0:N-1_0_0:O-1
 a1M N(CCHH)(CCO)(H) a2M C(CCHO)(NCH)(O)
 a1C N(CCHH)(CCO)(H) a2C C(CCHO)(NCH)(O)
atom 1 C  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop N
find 4:3:1:
find 4:3:1:
 find C-0_0_0_0:C-1_0_0:H-0
 find C-1_0_0_0:N-1_0_0:O-1
 find N(CCHH)(CCO)(H)
Bond sig is 0.00856
The end search level is 1
The sig value is 0.00856
Finally bond sig is 0.00856
The final target bond value is 1.33
Its sig value is 0.00856

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C9P and O9P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C9P and O9P
The bond is not within the same ring.
Bond order is DOUBLE
ha1 930 ha2 955
the hybr-combination is SP2_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 3:
 a1NB1NB2 C-1_0_0_0:N-1_0_0:O-1 a2NB1NB2 C-1_0_0
 a1M C(CCHO)(NCH)(O) a2M O(CCN)
 a1C C(CCHO)(NCH)(O) a2C O(CCN)
atom 1 C  atom 2 O
Found all hashing codes 
Found hybr-combination SP2_SP2
Find in-ring prop N
find 4:3:1:
find 3:
 find C-1_0_0_0:N-1_0_0:O-1
 find C-1_0_0
The end search level is 2
The sig value is 0.0102
Finally bond sig is 0.0102
The final target bond value is 1.23
Its sig value is 0.0102

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C9P and CAP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CAP and C9P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 930
the hybr-combination is SP2_SP3
In or not in the same ring N
 a1NB2 4:3:2:1: a2NB2 4:3:1:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:O-0_0 a2NB1NB2 C-1_0_0_0:N-1_0_0:O-1
 a1M C(CC3)(CNO)(OH)(H) a2M C(CCHO)(NCH)(O)
 a1C C(CC3)(CNO)(OH)(H) a2C C(CCHO)(NCH)(O)
atom 1 C  atom 2 CH1
Found all hashing codes 
Found hybr-combination SP2_SP3
Find in-ring prop N
find 4:3:2:1:
find 4:3:1:
 find C-0_0_0_0:C-1_0_0:H-0:O-0_0
 find C-1_0_0_0:N-1_0_0:O-1
The end search level is 3
The sig value is 0.0108
Finally bond sig is 0.0108
The final target bond value is 1.52
Its sig value is 0.0108

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CAP and OAP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CAP and OAP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 960
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:3:2:1: a2NB2 4:1:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:O-0_0 a2NB1NB2 C-1_0_0_0:H-0
 a1M C(CC3)(CNO)(OH)(H) a2M O(CCCH)(H)
 a1C C(CC3)(CNO)(OH)(H) a2C O(CCCH)(H)
atom 1 CH1  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:3:2:1:
find 4:1:
 find C-0_0_0_0:C-1_0_0:H-0:O-0_0
 find C-1_0_0_0:H-0
The end search level is 2
The sig value is 0.0162
Finally bond sig is 0.0162
The final target bond value is 1.42
Its sig value is 0.0162

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CAP and CBP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CBP and CAP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:4: a2NB2 4:3:2:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0 a2NB1NB2 C-0_0_0_0:C-1_0_0:H-0:O-0_0
 a1M C(CCHO)(CHHO)(CH3)2 a2M C(CC3)(CNO)(OH)(H)
 a1C C(CCHO)(CHHO)(CH3)2 a2C C(CC3)(CNO)(OH)(H)
atom 1 CH1  atom 2 CT
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:4:
find 4:3:2:1:
The end search level is 7
The sig value is 0.0112
Finally bond sig is 0.0112
The final target bond value is 1.53
Its sig value is 0.0112

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CBP and CCP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CBP and CCP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:4: a2NB2 4:2:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0:O-3_0
 a1M C(CCHO)(CHHO)(CH3)2 a2M C(CC3)(OP)(H)2
 a1C C(CCHO)(CHHO)(CH3)2 a2C C(CC3)(OP)(H)2
atom 1 CT  atom 2 CH2
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:4:
find 4:2:1:1:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0
The end search level is 6
The sig value is 0.0108
Finally bond sig is 0.0108
The final target bond value is 1.53
Its sig value is 0.0108

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CBP and CDP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CBP and CDP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:4: a2NB2 4:1:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0:H-0
 a1M C(CCHO)(CHHO)(CH3)2 a2M C(CC3)(H)3
 a1C C(CCHO)(CHHO)(CH3)2 a2C C(CC3)(H)3
atom 1 CT  atom 2 CH3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:4:
find 4:1:1:1:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0
 find C-0_0_0_0:H-0:H-0:H-0
The end search level is 2
The sig value is 0.0109
Finally bond sig is 0.0109
The final target bond value is 1.53
Its sig value is 0.0109

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CBP and CEP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CBP and CEP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 490
the hybr-combination is SP3_SP3
In or not in the same ring N
 a1NB2 4:4:4:4: a2NB2 4:1:1:1:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0 a2NB1NB2 C-0_0_0_0:H-0:H-0:H-0
 a1M C(CCHO)(CHHO)(CH3)2 a2M C(CC3)(H)3
 a1C C(CCHO)(CHHO)(CH3)2 a2C C(CC3)(H)3
atom 1 CT  atom 2 CH3
Found all hashing codes 
Found hybr-combination SP3_SP3
Find in-ring prop N
find 4:4:4:4:
find 4:1:1:1:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:C-1_0_0_0
 find C-0_0_0_0:H-0:H-0:H-0
The end search level is 2
The sig value is 0.0109
Finally bond sig is 0.0109
The final target bond value is 1.53
Its sig value is 0.0109

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C and H

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C and H
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHN)(CHHS)(SC)(H) a2M H(CCCS)
 a1C C(CCHN)(CHHS)(SC)(H) a2C H(CCCS)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:
 find C-0_0_0_0:C-0_0_0_0:H-0:S-0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0101
Finally bond sig is 0.0101
The final target bond value is 0.987
Its sig value is 0.0101

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N and HN

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N and HN
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:1: a2NB2 3:
 a1NB1NB2 C-0_0_0_0:H-0:S-1_1_0_0 a2NB1NB2 N-0_0_0
 a1M N(CC[5]HH)(SCOO)(H) a2M H(NCS)
 a1C N(CC[5]HH)(SCOO)(H) a2C H(NCS)
atom 1 H  atom 2 NT1
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:1:
find 3:
 find C-0_0_0_0:H-0:S-1_1_0_0
 find N-0_0_0
The end search level is 2
The sig value is 0.042
Finally bond sig is 0.042
The final target bond value is 0.84
Its sig value is 0.042

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C1 and H1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1 and H1
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-1_1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHS)(SNOO)(H)2 a2M H(CCHS)
 a1C C(CCHS)(SNOO)(H)2 a2C H(CCHS)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:S-1_1_0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0225
Finally bond sig is 0.0225
The final target bond value is 0.975
Its sig value is 0.0225

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C1 and H1A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1 and H1A
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-1_1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHS)(SNOO)(H)2 a2M H(CCHS)
 a1C C(CCHS)(SNOO)(H)2 a2C H(CCHS)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:S-1_1_0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0225
Finally bond sig is 0.0225
The final target bond value is 0.975
Its sig value is 0.0225

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O1 and HO1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms HO1 and O1
The bond is not within the same ring.
Bond order is SINGLE
ha1 690 ha2 960
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 2: a2NB2 4:1:
 a1NB1NB2 O-0_0 a2NB1NB2 C[5]-0_0_0_0:H-0
 a1M H(OC[5]) a2M O(C[5]C[5]2H)(H)
 a1C H(OC[5]) a2C O(C[5]C[5]2H)(H)
atom 1 H  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 2:
find 4:1:
 find O-0_0
 find C[5]-0_0_0_0:H-0
 find H(OC[5])
Bond sig is 0.0518
The end search level is 1
The sig value is 0.0518
Finally bond sig is 0.0518
The final target bond value is 0.849
Its sig value is 0.0518

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2 and H2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2 and H2
The bond is not within the same ring.
Bond order is SINGLE
ha1 643 ha2 690
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 2:2:1: a2NB2 3:
 a1NB1NB2 H-1:N[6a]-1_1:N[6a]-1_1 a2NB1NB2 C[6a]-1_1_0
 a1M C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H) a2M H(C[6a]N[6a]2)
 a1C C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>} a2C H(C[6a]N[6a]2)
atom 1 CR16  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 2:2:1:
find 3:
 find H-1:N[6a]-1_1:N[6a]-1_1
 find C[6a]-1_1_0
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
 find H(C[6a]N[6a]2)
 find C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}
 find H(C[6a]N[6a]2)
Found exact matches of atom cod-classes 
Number of value associate it 107
the table sigma 0.0258
Finally bond sig is 0.0258
The final target bond value is 0.945
Its sig value is 0.0258

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N2 and HN2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N2 and HN2
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1: a2NB2 3:
 a1NB1NB2 C-0_0_0_0:H-0:H-0 a2NB1NB2 N-0_0_0
 a1M N(CCCH)(H)2 a2M H(NCH)
 a1C N(CCCH)(H)2 a2C H(NCH)
atom 1 H  atom 2 NT2
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:
find 3:
 find C-0_0_0_0:H-0:H-0
 find N-0_0_0
The end search level is 4
The sig value is 0.0468
Finally bond sig is 0.0468
The final target bond value is 0.888
Its sig value is 0.0468

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N2 and HN2A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N2 and HN2A
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1: a2NB2 3:
 a1NB1NB2 C-0_0_0_0:H-0:H-0 a2NB1NB2 N-0_0_0
 a1M N(CCCH)(H)2 a2M H(NCH)
 a1C N(CCCH)(H)2 a2C H(NCH)
atom 1 H  atom 2 NT2
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:
find 3:
 find C-0_0_0_0:H-0:H-0
 find N-0_0_0
The end search level is 4
The sig value is 0.0468
Finally bond sig is 0.0468
The final target bond value is 0.888
Its sig value is 0.0468

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between O2 and HO2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms HO2 and O2
The bond is not within the same ring.
Bond order is SINGLE
ha1 690 ha2 960
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 2: a2NB2 4:1:
 a1NB1NB2 O-0_0 a2NB1NB2 C[5]-0_0_0_0:H-0
 a1M H(OC[5]) a2M O(C[5]C[5]2H)(H)
 a1C H(OC[5]) a2C O(C[5]C[5]2H)(H)
atom 1 H  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 2:
find 4:1:
 find O-0_0
 find C[5]-0_0_0_0:H-0
 find H(OC[5])
Bond sig is 0.0518
The end search level is 1
The sig value is 0.0518
Finally bond sig is 0.0518
The final target bond value is 0.849
Its sig value is 0.0518

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3 and H3

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3 and H3
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C[5]-0_0_0_0:H-0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(C[5]C[5]O[5]H)(NHS)(H)2 a2M H(CC[5]HN)
 a1C C(C[5]C[5]O[5]H)(NHS)(H)2 a2C H(CC[5]HN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C[5]-0_0_0_0:H-0:H-0:N-0_0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.00998
Finally bond sig is 0.00998
The final target bond value is 0.982
Its sig value is 0.00998

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3 and H3A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3 and H3A
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C[5]-0_0_0_0:H-0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(C[5]C[5]O[5]H)(NHS)(H)2 a2M H(CC[5]HN)
 a1C C(C[5]C[5]O[5]H)(NHS)(H)2 a2C H(CC[5]HN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C[5]-0_0_0_0:H-0:H-0:N-0_0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.00998
Finally bond sig is 0.00998
The final target bond value is 0.982
Its sig value is 0.00998

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N6 and HN6

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N6 and HN6
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 3:1:1: a2NB2 3:
 a1NB1NB2 C[6a]-1_1_0:H-0:H-0 a2NB1NB2 N-1_0_0
 a1M N(C[6a]C[5a,6a]N[6a])(H)2 a2M H(NC[6a]H)
 a1C N(C[6a]C[5a,6a]N[6a])(H)2 a2C H(NC[6a]H)
atom 1 H  atom 2 NH2
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 3:1:1:
find 3:
 find C[6a]-1_1_0:H-0:H-0
 find N-1_0_0
The end search level is 2
The sig value is 0.0412
Finally bond sig is 0.0412
The final target bond value is 0.877
Its sig value is 0.0412

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N6 and HN6A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N6 and HN6A
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 3:1:1: a2NB2 3:
 a1NB1NB2 C[6a]-1_1_0:H-0:H-0 a2NB1NB2 N-1_0_0
 a1M N(C[6a]C[5a,6a]N[6a])(H)2 a2M H(NC[6a]H)
 a1C N(C[6a]C[5a,6a]N[6a])(H)2 a2C H(NC[6a]H)
atom 1 H  atom 2 NH2
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 3:1:1:
find 3:
 find C[6a]-1_1_0:H-0:H-0
 find N-1_0_0
The end search level is 2
The sig value is 0.0412
Finally bond sig is 0.0412
The final target bond value is 0.877
Its sig value is 0.0412

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C8 and H8

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms H8 and C8
The bond is not within the same ring.
Bond order is SINGLE
ha1 690 ha2 727
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 3: a2NB2 3:2:1:
 a1NB1NB2 C[5a]-1_0_0 a2NB1NB2 H-1:N[5a]-1_1_0:N[5a]-1_1
 a1M H(C[5a]N[5a]2) a2M C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
 a1C H(C[5a]N[5a]2) a2C C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}
atom 1 CR15  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 3:
find 3:2:1:
 find C[5a]-1_0_0
 find H-1:N[5a]-1_1_0:N[5a]-1_1
 find H(C[5a]N[5a]2)
 find C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
 find H(C[5a]N[5a]2)
 find C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}
Found exact matches of atom cod-classes 
Number of value associate it 37
the table sigma 0.017
Finally bond sig is 0.017
The final target bond value is 0.942
Its sig value is 0.017

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CA and HA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CA and HA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:3:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(CCHS)(NHH)(H) a2M H(CCCN)
 a1C C(CCCH)(CCHS)(NHH)(H) a2C H(CCCN)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:3:1:
find 4:
 find C-0_0_0_0:C-0_0_0_0:H-0:N-0_0_0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0135
Finally bond sig is 0.0135
The final target bond value is 0.992
Its sig value is 0.0135

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CB and HB

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CB and HB
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:4:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHN)(CH3)2(H) a2M H(CC3)
 a1C C(CCHN)(CH3)2(H) a2C H(CC3)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:4:1:
find 4:
 find C-0_0_0_0:C-0_0_0_0:C-0_0_0_0:H-0
 find C-0_0_0_0
 find C(CCHN)(CH3)2(H)
 find H(CC3)
 find C(CCHN)(CH3)2(H)
 find H(CC3)
Found exact matches of atom cod-classes 
Number of value associate it 257
the table sigma 0.0171
Finally bond sig is 0.0171
The final target bond value is 0.988
Its sig value is 0.0171

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C1' and H1'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C1' and H1'
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 3:4:2:1: a2NB2 4:
 a1NB1NB2 C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0 a2NB1NB2 C[5]-0_0_0_0
 a1M C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H) a2M H(C[5]N[5a]C[5]O[5])
 a1C C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>} a2C H(C[5]N[5a]C[5]O[5])
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 3:4:2:1:
find 4:
 find C[5]-0_0_0_0:H-0:N[5a]-1_1_0:O[5]-0_0
 find C[5]-0_0_0_0
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
 find H(C[5]N[5a]C[5]O[5])
 find C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}
 find H(C[5]N[5a]C[5]O[5])
Found exact matches of atom cod-classes 
Number of value associate it 16
the table sigma 0.0259
Finally bond sig is 0.0259
The final target bond value is 0.984
Its sig value is 0.0259

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2' and H2'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2' and H2'
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C[5]-0_0_0_0
 a1M C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H) a2M H(C[5]C[5]2O)
 a1C C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>} a2C H(C[5]C[5]2O)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5]-0_0_0_0
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
 find H(C[5]C[5]2O)
 find C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}
 find H(C[5]C[5]2O)
Found exact matches of atom cod-classes 
Number of value associate it 15
the table sigma 0.0554
Finally bond sig is 0.0554
The final target bond value is 0.994
Its sig value is 0.0554

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2P and H2P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2P and H2P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CHHN)(SC)(H)2 a2M H(CCHS)
 a1C C(CHHN)(SC)(H)2 a2C H(CCHS)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:S-0_0
 find C-0_0_0_0
 find C(CHHN)(SC)(H)2
 find H(CCHS)
 find C(CHHN)(SC)(H)2
 find H(CCHS)
Found exact matches of atom cod-classes 
Number of value associate it 173
the table sigma 0.0124
Finally bond sig is 0.0124
The final target bond value is 0.983
Its sig value is 0.0124

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C2P and H2PA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C2P and H2PA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:S-0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CHHN)(SC)(H)2 a2M H(CCHS)
 a1C C(CHHN)(SC)(H)2 a2C H(CCHS)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:S-0_0
 find C-0_0_0_0
 find C(CHHN)(SC)(H)2
 find H(CCHS)
 find C(CHHN)(SC)(H)2
 find H(CCHS)
Found exact matches of atom cod-classes 
Number of value associate it 173
the table sigma 0.0124
Finally bond sig is 0.0124
The final target bond value is 0.983
Its sig value is 0.0124

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3' and H3'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3' and H3'
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:4:2:1: a2NB2 4:
 a1NB1NB2 C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0 a2NB1NB2 C[5]-0_0_0_0
 a1M C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H) a2M H(C[5]C[5]2O)
 a1C C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>} a2C H(C[5]C[5]2O)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:4:2:1:
find 4:
 find C[5]-0_0_0_0:C[5]-0_0_0_0:H-0:O-0_0
 find C[5]-0_0_0_0
 find C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
 find H(C[5]C[5]2O)
The end search level is 0
The sig value is 0.0365
Finally bond sig is 0.0365
The final target bond value is 0.992
Its sig value is 0.0365

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3P and H3P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3P and H3P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CHHS)(NCH)(H)2 a2M H(CCHN)
 a1C C(CHHS)(NCH)(H)2 a2C H(CCHN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0
 find C(CHHS)(NCH)(H)2
 find H(CCHN)
 find C(CHHS)(NCH)(H)2
 find H(CCHN)
Found exact matches of atom cod-classes 
Number of value associate it 46
the table sigma 0.0127
Finally bond sig is 0.0127
The final target bond value is 0.981
Its sig value is 0.0127

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C3P and H3PA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C3P and H3PA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CHHS)(NCH)(H)2 a2M H(CCHN)
 a1C C(CHHS)(NCH)(H)2 a2C H(CCHN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0
 find C(CHHS)(NCH)(H)2
 find H(CCHN)
 find C(CHHS)(NCH)(H)2
 find H(CCHN)
Found exact matches of atom cod-classes 
Number of value associate it 46
the table sigma 0.0127
Finally bond sig is 0.0127
The final target bond value is 0.981
Its sig value is 0.0127

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C4' and H4'

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C4' and H4'
The bond is not within the same ring.
Bond order is SINGLE
ha1 474 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:2:4:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0 a2NB1NB2 C[5]-0_0_0_0
 a1M C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H) a2M H(C[5]C[5]O[5]C)
 a1C C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>} a2C H(C[5]C[5]O[5]C)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:2:4:1:
find 4:
 find C-0_0_0_0:C[5]-0_0_0_0:H-0:O[5]-0_0
 find C[5]-0_0_0_0
 find C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
 find H(C[5]C[5]O[5]C)
The end search level is 0
The sig value is 0.0099
Finally bond sig is 0.0099
The final target bond value is 0.988
Its sig value is 0.0099

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N4P and HN4P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N4P and HN4P
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 3:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0 a2NB1NB2 N-1_0_0
 a1M N(CCHH)(CCO)(H) a2M H(NCC)
 a1C N(CCHH)(CCO)(H) a2C H(NCC)
atom 1 H  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 4:3:1:
find 3:
 find C-0_0_0_0:C-1_0_0:H-0
 find N-1_0_0
The end search level is 2
The sig value is 0.0376
Finally bond sig is 0.0376
The final target bond value is 0.872
Its sig value is 0.0376

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C6P and H6P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C6P and H6P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:H-0 a2NB1NB2 C-1_0_0_0
 a1M C(CHHN)(CNO)(H)2 a2M H(CCCH)
 a1C C(CHHN)(CNO)(H)2 a2C H(CCCH)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-0_0_0_0:C-1_0_0:H-0:H-0
 find C-1_0_0_0
 find C(CHHN)(CNO)(H)2
 find H(CCCH)
 find C(CHHN)(CNO)(H)2
 find H(CCCH)
Found exact matches of atom cod-classes 
Number of value associate it 132
the table sigma 0.0156
Finally bond sig is 0.0156
The final target bond value is 0.973
Its sig value is 0.0156

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C6P and H6PA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C6P and H6PA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:H-0 a2NB1NB2 C-1_0_0_0
 a1M C(CHHN)(CNO)(H)2 a2M H(CCCH)
 a1C C(CHHN)(CNO)(H)2 a2C H(CCCH)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-0_0_0_0:C-1_0_0:H-0:H-0
 find C-1_0_0_0
 find C(CHHN)(CNO)(H)2
 find H(CCCH)
 find C(CHHN)(CNO)(H)2
 find H(CCCH)
Found exact matches of atom cod-classes 
Number of value associate it 132
the table sigma 0.0156
Finally bond sig is 0.0156
The final target bond value is 0.973
Its sig value is 0.0156

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C7P and H7P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C7P and H7P
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-1_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHH)(NCH)(H)2 a2M H(CCHN)
 a1C C(CCHH)(NCH)(H)2 a2C H(CCHN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-1_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0
 find C(CCHH)(NCH)(H)2
 find H(CCHN)
 find C(CCHH)(NCH)(H)2
 find H(CCHN)
Found exact matches of atom cod-classes 
Number of value associate it 1170
the table sigma 0.0159
Finally bond sig is 0.0159
The final target bond value is 0.98
Its sig value is 0.0159

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between C7P and H7PA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms C7P and H7PA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:1:1: a2NB2 4:
 a1NB1NB2 C-1_0_0_0:H-0:H-0:N-1_0_0 a2NB1NB2 C-0_0_0_0
 a1M C(CCHH)(NCH)(H)2 a2M H(CCHN)
 a1C C(CCHH)(NCH)(H)2 a2C H(CCHN)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:1:1:
find 4:
 find C-1_0_0_0:H-0:H-0:N-1_0_0
 find C-0_0_0_0
 find C(CCHH)(NCH)(H)2
 find H(CCHN)
 find C(CCHH)(NCH)(H)2
 find H(CCHN)
Found exact matches of atom cod-classes 
Number of value associate it 1170
the table sigma 0.0159
Finally bond sig is 0.0159
The final target bond value is 0.98
Its sig value is 0.0159

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between N8P and HN8P

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms N8P and HN8P
The bond is not within the same ring.
Bond order is SINGLE
ha1 670 ha2 690
the hybr-combination is SP-NON_SP2
In or not in the same ring N
 a1NB2 4:3:1: a2NB2 3:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0 a2NB1NB2 N-1_0_0
 a1M N(CCHH)(CCO)(H) a2M H(NCC)
 a1C N(CCHH)(CCO)(H) a2C H(NCC)
atom 1 H  atom 2 NH1
Found all hashing codes 
Found hybr-combination SP-NON_SP2
Find in-ring prop N
find 4:3:1:
find 3:
 find C-0_0_0_0:C-1_0_0:H-0
 find N-1_0_0
The end search level is 2
The sig value is 0.0376
Finally bond sig is 0.0376
The final target bond value is 0.872
Its sig value is 0.0376

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CAP and HAP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CAP and HAP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:3:2:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:C-1_0_0:H-0:O-0_0 a2NB1NB2 C-1_0_0_0
 a1M C(CC3)(CNO)(OH)(H) a2M H(CCCO)
 a1C C(CC3)(CNO)(OH)(H) a2C H(CCCO)
atom 1 CH1  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:3:2:1:
find 4:
 find C-0_0_0_0:C-1_0_0:H-0:O-0_0
 find C-1_0_0_0
The end search level is 2
The sig value is 0.0129
Finally bond sig is 0.0129
The final target bond value is 0.988
Its sig value is 0.0129

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between OAP and HOAP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms HOAP and OAP
The bond is not within the same ring.
Bond order is SINGLE
ha1 690 ha2 960
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 2: a2NB2 4:1:
 a1NB1NB2 O-0_0 a2NB1NB2 C-1_0_0_0:H-0
 a1M H(OC) a2M O(CCCH)(H)
 a1C H(OC) a2C O(CCCH)(H)
atom 1 H  atom 2 OH1
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 2:
find 4:1:
 find O-0_0
 find C-1_0_0_0:H-0
 find H(OC)
Bond sig is 0.0588
The end search level is 1
The sig value is 0.0588
Finally bond sig is 0.0588
The final target bond value is 0.848
Its sig value is 0.0588

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CCP and HCP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CCP and HCP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:O-3_0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(OP)(H)2 a2M H(CCHO)
 a1C C(CC3)(OP)(H)2 a2C H(CCHO)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:
The end search level is 5
The sig value is 0.0167
Finally bond sig is 0.0167
The final target bond value is 0.981
Its sig value is 0.0167

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CCP and HCPA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CCP and HCPA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:2:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:O-3_0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(OP)(H)2 a2M H(CCHO)
 a1C C(CC3)(OP)(H)2 a2C H(CCHO)
atom 1 CH2  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:2:1:1:
find 4:
The end search level is 5
The sig value is 0.0167
Finally bond sig is 0.0167
The final target bond value is 0.981
Its sig value is 0.0167

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CDP and HDP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CDP and HDP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CDP and HDPA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CDP and HDPA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CDP and HDPB

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CDP and HDPB
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CEP and HEP

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CEP and HEP
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CEP and HEPA

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CEP and HEPA
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CEP and HEPB

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CEP and HEPB
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CC3)(H)3 a2M H(CCHH)
 a1C C(CC3)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG1 and HG1

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG1 and HG1
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG1 and HG1A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG1 and HG1A
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG1 and HG1B

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG1 and HG1B
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG2 and HG2

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG2 and HG2
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG2 and HG2A

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG2 and HG2A
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Bond between CG2 and HG2B

+++++++++++++++++++++++++++++++++++++++++++++++++++
 search a organic-only bond 
for target bond of atoms CG2 and HG2B
The bond is not within the same ring.
Bond order is SINGLE
ha1 490 ha2 690
the hybr-combination is SP-NON_SP3
In or not in the same ring N
 a1NB2 4:1:1:1: a2NB2 4:
 a1NB1NB2 C-0_0_0_0:H-0:H-0:H-0 a2NB1NB2 C-0_0_0_0
 a1M C(CCCH)(H)3 a2M H(CCHH)
 a1C C(CCCH)(H)3 a2C H(CCHH)
atom 1 CH3  atom 2 H
Found all hashing codes 
Found hybr-combination SP-NON_SP3
Find in-ring prop N
find 4:1:1:1:
find 4:
 find C-0_0_0_0:H-0:H-0:H-0
 find C-0_0_0_0
The end search level is 2
The sig value is 0.0146
Finally bond sig is 0.0146
The final target bond value is 0.973
Its sig value is 0.0146

+++++++++++++++++++++++++++++++++++++++++++++++++++
Number of Bonds to be found 98
Number of Bonds found 98
Search for all target bonds finished at Wed Mar 30 21:42:34 2022
it takes 0 seconds to do that 
Finish setDefaultCoordGeos() 
Clustering all COD angles started at Wed Mar 30 21:42:35 2022
Clustering COD org angles finished at Wed Mar 30 21:42:51 2022
it takes 16 seconds to finish group COD angles 
Finish groupCodOrgAngles() 
Finish groupCodMetAngles() 
Finish groupCodAnglesWithNonCenteredMetal() 
Search for target angles started at Wed Mar 30 21:42:52 2022

%=========================================%
Angle between C(center) and CA and C1

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:2:1:
Found 4:4:3:1:
Found 4:4:1:1:
Found C-4:C-4:S-2:H-1:
Found C-4:C-4:N-3:H-1:
Angle value 115
Angle siga 1.69
Number of observations  22
Approximation level 2
Finally the angle value is 115
It sig value is 1.69
Target angle value : 115

%=========================================%
Angle between C(center) and C1 and S1P

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : C1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 975
Found 0:SP3_SP3_SP3
Found C
Found C
Found S
Found 4:4:2:1:
Found 4:4:1:1:
Found 4:4:
Found C-4:C-4:S-2:H-1:
Angle value 110
Angle siga 2.12
Number of observations  5
Approximation level 2
Finally the angle value is 110
It sig value is 2.12
Target angle value : 110

%=========================================%
Angle between C(center) and C1 and H

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : C1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom3: H
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCS)
Its atom type full H(CCCS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:2:1:
Found 4:4:1:1:
Found 4:
Found C-4:C-4:S-2:H-1:
Angle value 109
Angle siga 1.4
Number of observations  600
Approximation level 2
Finally the angle value is 109
It sig value is 1.4
Target angle value : 109

%=========================================%
Angle between C(center) and CA and S1P

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 975
Found 0:SP3_SP3_SP3
Found C
Found C
Found S
Found 4:4:2:1:
Found 4:4:3:1:
Found 4:4:
Found C-4:C-4:S-2:H-1:
Angle value 109
Angle siga 0
Number of observations  1
Approximation level 2
Angle value 112
Angle siga 3.49
Number of observations  1594
Approximation level 3
Finally the angle value is 112
It sig value is 3.49
Target angle value : 112

%=========================================%
Angle between C(center) and CA and H

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: H
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCS)
Its atom type full H(CCCS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:2:1:
Found 4:4:3:1:
Found 4:
Found C-4:C-4:S-2:H-1:
Found C-4:C-4:N-3:H-1:
Found C-4:
Angle value 107
Angle siga 0.825
Number of observations  7
Approximation level 1
Finally the angle value is 107
It sig value is 0.825
Target angle value : 107

%=========================================%
Angle between C(center) and H and S1P

Center Atom : C
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main sec C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom2 : H
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCS)
Its atom type full H(CCCS)

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 975
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found S
Found 4:4:2:1:
Found 4:
Found 4:4:
Found C-4:C-4:S-2:H-1:
Found C-4:
Found C-4:C-4:
Angle value 108
Angle siga 1.56
Number of observations  4
Approximation level 1
Angle value 108
Angle siga 1.38
Number of observations  7
Approximation level 2
Finally the angle value is 108
It sig value is 1.38
Target angle value : 108

%=========================================%
Angle between N(center) and C3 and S

Center Atom : N
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main sec N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom2 : C3
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main section C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom3: S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main section S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 670
Find ha2 490
Find ha3 985
Found 0:SP3_SP3_SP3
Found N
Found C
Found S
Found 4:4:1:
Found 4:3:1:1:
Found 4:3:1:1:
Found C-4:S-4:H-1:
Angle value 118
Angle siga 1.35
Number of observations  5
Approximation level 2
Finally the angle value is 118
It sig value is 1.35
Target angle value : 118

%=========================================%
Angle between N(center) and HN and S

Center Atom : N
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main sec N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom2 : HN
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCS)
Its atom type full H(NCS)

Atom3: S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main section S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 670
Find ha2 690
Find ha3 985
Found 0:SP3_SP-NON_SP3
Found N
Found H
Found S
Found 4:4:1:
Found 3:
Found 4:3:1:1:
Found C-4:S-4:H-1:
Found N-3:
Found C-4:N-3:O-1:O-1:
Angle value 111
Angle siga 3.25
Number of observations  8
Approximation level 1
Finally the angle value is 111
It sig value is 3.25
Target angle value : 111

%=========================================%
Angle between N(center) and C3 and HN

Center Atom : N
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main sec N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom2 : C3
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main section C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom3: HN
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCS)
Its atom type full H(NCS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 670
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found N
Found C
Found H
Found 4:4:1:
Found 4:3:1:1:
Found 3:
Found C-4:S-4:H-1:
Angle value 109
Angle siga 3.74
Number of observations  454
Approximation level 2
Finally the angle value is 109
It sig value is 3.74
Target angle value : 109

%=========================================%
Angle between S(center) and C1 and N

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : C1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom3: N
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 985
Find ha2 490
Find ha3 670
Found 0:SP3_SP3_SP3
Found S
Found C
Found N
Found 4:3:1:1:
Found 4:4:1:1:
Found 4:4:1:
Found C-4:N-3:O-1:O-1:
Found C-4:S-4:H-1:H-1:
Angle value 107
Angle siga 0.671
Number of observations  3
Approximation level 2
Angle value 106
Angle siga 1.53
Number of observations  67
Approximation level 3
Finally the angle value is 106
It sig value is 1.53
Target angle value : 106

%=========================================%
Angle between S(center) and N and O2P

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : N
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom3: O2P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 985
Find ha2 670
Find ha3 955
Found 0:SP3_SP2_SP3
Found S
Found N
Found O
Found 4:3:1:1:
Found 4:4:1:
Found 4:
Found C-4:N-3:O-1:O-1:
Found C-4:S-4:H-1:
Found S-4:
Angle value 107
Angle siga 0.922
Number of observations  16
Approximation level 1
Finally the angle value is 107
It sig value is 0.922
Target angle value : 107

%=========================================%
Angle between S(center) and N and O3P

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : N
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom3: O3P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 985
Find ha2 670
Find ha3 955
Found 0:SP3_SP2_SP3
Found S
Found N
Found O
Found 4:3:1:1:
Found 4:4:1:
Found 4:
Found C-4:N-3:O-1:O-1:
Found C-4:S-4:H-1:
Found S-4:
Angle value 107
Angle siga 0.922
Number of observations  16
Approximation level 1
Finally the angle value is 107
It sig value is 0.922
Target angle value : 107

%=========================================%
Angle between S(center) and C1 and O2P

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : C1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom3: O2P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 985
Find ha2 490
Find ha3 955
Found 0:SP3_SP2_SP3
Found S
Found C
Found O
Found 4:3:1:1:
Found 4:4:1:1:
Found 4:
Found C-4:N-3:O-1:O-1:
Found C-4:S-4:H-1:H-1:
Found S-4:
Found S(CCHH)(NCH)(O)2
Angle value 108
Angle siga 0.29
Number of observations  2
Approximation level 1
Angle value 108
Angle siga 2.06
Number of observations  44
Approximation level 2
Finally the angle value is 108
It sig value is 2.06
Target angle value : 108

%=========================================%
Angle between S(center) and C1 and O3P

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : C1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main section C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom3: O3P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 985
Find ha2 490
Find ha3 955
Found 0:SP3_SP2_SP3
Found S
Found C
Found O
Found 4:3:1:1:
Found 4:4:1:1:
Found 4:
Found C-4:N-3:O-1:O-1:
Found C-4:S-4:H-1:H-1:
Found S-4:
Found S(CCHH)(NCH)(O)2
Angle value 108
Angle siga 0.29
Number of observations  2
Approximation level 1
Angle value 108
Angle siga 2.06
Number of observations  44
Approximation level 2
Finally the angle value is 108
It sig value is 2.06
Target angle value : 108

%=========================================%
Angle between S(center) and O3P and O2P

Center Atom : S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main sec S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

Atom2 : O3P
Its Hashing code 955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

Atom3: O2P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 4:
Its codNBSymb S-4:
Its atom type main section O(SCNO)
Its atom type full O(SCNO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP2
Find ha1 985
Find ha2 955
Find ha3 955
Found 0:SP3_SP2_SP2
Found S
Found O
Found O
Found 4:3:1:1:
Found 4:
Found 4:
Found C-4:N-3:O-1:O-1:
Found S-4:
Found S-4:
Found S(CCHH)(NCH)(O)2
Found O(SCNO)
Found O(SCNO)
Angle value 119
Angle siga 1.1
Number of observations  58
Approximation level 1
Finally the angle value is 119
It sig value is 1.1
Target angle value : 119

%=========================================%
Angle between C1(center) and C and S

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main section S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 985
Found 0:SP3_SP3_SP3
Found C
Found C
Found S
Found 4:4:1:1:
Found 4:4:2:1:
Found 4:3:1:1:
Found C-4:S-4:H-1:H-1:
Angle value 115
Angle siga 0
Number of observations  1
Approximation level 2
Angle value 111
Angle siga 2.92
Number of observations  417
Approximation level 3
Finally the angle value is 111
It sig value is 2.92
Target angle value : 111

%=========================================%
Angle between C1(center) and C and H1

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: H1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:1:1:
Found 4:4:2:1:
Found 4:
Found C-4:S-4:H-1:H-1:
Angle value 108
Angle siga 1.02
Number of observations  1118
Approximation level 2
Finally the angle value is 108
It sig value is 1.02
Target angle value : 108

%=========================================%
Angle between C1(center) and C and H1A

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: H1A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:1:1:
Found 4:4:2:1:
Found 4:
Found C-4:S-4:H-1:H-1:
Angle value 108
Angle siga 1.02
Number of observations  1118
Approximation level 2
Finally the angle value is 108
It sig value is 1.02
Target angle value : 108

%=========================================%
Angle between C1(center) and H1 and S

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : H1
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main section S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 985
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found S
Found 4:4:1:1:
Found 4:
Found 4:3:1:1:
Found C-4:S-4:H-1:H-1:
Found C-4:
Found C-4:N-3:O-1:O-1:
Angle value 109
Angle siga 0.016
Number of observations  2
Approximation level 1
Angle value 108
Angle siga 1.31
Number of observations  50
Approximation level 2
Finally the angle value is 108
It sig value is 1.31
Target angle value : 108

%=========================================%
Angle between C1(center) and H1A and S

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : H1A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: S
Its Hashing code  985
Its root atom symbol S
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:O-1:O-1:
Its atom type main section S(CCHH)(NCH)(O)2
Its atom type full S(CCHH)(NCH)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 985
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found S
Found 4:4:1:1:
Found 4:
Found 4:3:1:1:
Found C-4:S-4:H-1:H-1:
Found C-4:
Found C-4:N-3:O-1:O-1:
Angle value 109
Angle siga 0.016
Number of observations  2
Approximation level 1
Angle value 108
Angle siga 1.31
Number of observations  50
Approximation level 2
Finally the angle value is 108
It sig value is 1.31
Target angle value : 108

%=========================================%
Angle between C1(center) and H1A and H1

Center Atom : C1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:1:1:
Its codNBSymb C-4:S-4:H-1:H-1:
Its atom type main sec C(CCHS)(SNOO)(H)2
Its atom type full C(CCHS)(SNOO)(H)2

Atom2 : H1A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: H1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:4:1:1:
Found 4:
Found 4:
Found C-4:S-4:H-1:H-1:
Found C-4:
Found C-4:
Angle value 108
Angle siga 1.04
Number of observations  167
Approximation level 1
Finally the angle value is 108
It sig value is 1.04
Target angle value : 108

%=========================================%
Angle between N1(center) and C6 and C2

Center Atom : N1
Its Hashing code  371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[6a]-3:C[6a]-3:
Its atom type main sec N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its atom type full N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}

Atom2 : C6
Its Hashing code 643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main section C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom3: C2
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 2:2:1:
Its codNBSymb N[6a]-2:N[6a]-2:H-1:
Its atom type main section C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its atom type full C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 371
Find ha2 643
Find ha3 643
Found 6:SP2_SP2_SP2
Found N[6a]
Found C[6a]
Found C[6a]
Found 3:3:
Found 3:2:3:
Found 2:2:1:
Found C[6a]-3:C[6a]-3:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found N[6a]-2:N[6a]-2:H-1:
Found N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Angle value 119
Angle siga 0.682
Number of observations  69
Approximation level 0
Finally the angle value is 119
It sig value is 0.682
Target angle value : 119

%=========================================%
Angle between O1(center) and C3' and HO1

Center Atom : O1
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main sec O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

Atom2 : C3'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom3: HO1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 2:
Its codNBSymb O-2:
Its atom type main section H(OC[5])
Its atom type full H(OC[5])

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 960
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found O
Found C[5]
Found H
Found 4:1:
Found 4:4:2:1:
Found 2:
Found C[5]-4:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found O-2:
Found O(C[5]C[5]2H)(H)
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found H(OC[5])
Angle value 109
Angle siga 3.28
Number of observations  90
Approximation level 0
Finally the angle value is 109
It sig value is 3.28
Target angle value : 109

%=========================================%
Angle between C2(center) and N3 and N1

Center Atom : C2
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 2:2:1:
Its codNBSymb N[6a]-2:N[6a]-2:H-1:
Its atom type main sec C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its atom type full C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}

Atom2 : N3
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[6a]-3:
Its atom type main section N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its atom type full N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}

Atom3: N1
Its Hashing code  371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[6a]-3:C[6a]-3:
Its atom type main section N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its atom type full N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 643
Find ha2 371
Find ha3 371
Found 6:SP2_SP2_SP2
Found C[6a]
Found N[6a]
Found N[6a]
Found 2:2:1:
Found 3:3:
Found 3:3:
Found N[6a]-2:N[6a]-2:H-1:
Found C[5a,6a]-3:C[6a]-3:
Found C[6a]-3:C[6a]-3:
Found C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Found N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Found N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Angle value 129
Angle siga 0.826
Number of observations  107
Approximation level 0
Finally the angle value is 129
It sig value is 0.826
Target angle value : 129

%=========================================%
Angle between C2(center) and N1 and H2

Center Atom : C2
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 2:2:1:
Its codNBSymb N[6a]-2:N[6a]-2:H-1:
Its atom type main sec C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its atom type full C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}

Atom2 : N1
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[6a]-3:C[6a]-3:
Its atom type main section N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its atom type full N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}

Atom3: H2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb C[6a]-3:
Its atom type main section H(C[6a]N[6a]2)
Its atom type full H(C[6a]N[6a]2)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 643
Find ha2 371
Find ha3 690
Found 0:SP2_SP-NON_SP2
Found C[6a]
Found N[6a]
Found H
Found 2:2:1:
Found 3:3:
Found 3:
Found N[6a]-2:N[6a]-2:H-1:
Found C[6a]-3:C[6a]-3:
Found C[6a]-3:
Found C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Found N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Found H(C[6a]N[6a]2)
Angle value 115
Angle siga 0.624
Number of observations  110
Approximation level 0
Finally the angle value is 115
It sig value is 0.624
Target angle value : 115

%=========================================%
Angle between C2(center) and N3 and H2

Center Atom : C2
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 2:2:1:
Its codNBSymb N[6a]-2:N[6a]-2:H-1:
Its atom type main sec C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its atom type full C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}

Atom2 : N3
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[6a]-3:
Its atom type main section N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its atom type full N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}

Atom3: H2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb C[6a]-3:
Its atom type main section H(C[6a]N[6a]2)
Its atom type full H(C[6a]N[6a]2)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 643
Find ha2 371
Find ha3 690
Found 0:SP2_SP-NON_SP2
Found C[6a]
Found N[6a]
Found H
Found 2:2:1:
Found 3:3:
Found 3:
Found N[6a]-2:N[6a]-2:H-1:
Found C[5a,6a]-3:C[6a]-3:
Found C[6a]-3:
Found C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Found N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Found H(C[6a]N[6a]2)
Angle value 115
Angle siga 0.699
Number of observations  159
Approximation level 0
Finally the angle value is 115
It sig value is 0.699
Target angle value : 115

%=========================================%
Angle between N2(center) and CA and HN2

Center Atom : N2
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main sec N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: HN2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCH)
Its atom type full H(NCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 670
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found N
Found C
Found H
Found 4:1:1:
Found 4:4:3:1:
Found 3:
Found C-4:H-1:H-1:
Found C-4:C-4:N-3:H-1:
Found N-3:
Found N(CCCH)(H)2
Angle value 110
Angle siga 3.52
Number of observations  29
Approximation level 1
Finally the angle value is 110
It sig value is 3.52
Target angle value : 110

%=========================================%
Angle between N2(center) and CA and HN2A

Center Atom : N2
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main sec N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: HN2A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCH)
Its atom type full H(NCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 670
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found N
Found C
Found H
Found 4:1:1:
Found 4:4:3:1:
Found 3:
Found C-4:H-1:H-1:
Found C-4:C-4:N-3:H-1:
Found N-3:
Found N(CCCH)(H)2
Angle value 110
Angle siga 3.52
Number of observations  29
Approximation level 1
Finally the angle value is 110
It sig value is 3.52
Target angle value : 110

%=========================================%
Angle between N2(center) and HN2A and HN2

Center Atom : N2
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main sec N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

Atom2 : HN2A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCH)
Its atom type full H(NCH)

Atom3: HN2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCH)
Its atom type full H(NCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 670
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found N
Found H
Found H
Found 4:1:1:
Found 3:
Found 3:
Found C-4:H-1:H-1:
Found N-3:
Found N-3:
Found N(CCCH)(H)2
Found H(NCH)
Found H(NCH)
Angle value 108
Angle siga 5.21
Number of observations  36
Approximation level 0
Finally the angle value is 108
It sig value is 5.21
Target angle value : 108

%=========================================%
Angle between O2(center) and C2' and HO2

Center Atom : O2
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main sec O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: HO2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 2:
Its codNBSymb O-2:
Its atom type main section H(OC[5])
Its atom type full H(OC[5])

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 960
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found O
Found C[5]
Found H
Found 4:1:
Found 4:4:2:1:
Found 2:
Found C[5]-4:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found O-2:
Found O(C[5]C[5]2H)(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found H(OC[5])
Angle value 109
Angle siga 2.13
Number of observations  29
Approximation level 0
Finally the angle value is 109
It sig value is 2.13
Target angle value : 109

%=========================================%
Angle between C3(center) and C4' and N

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : C4'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom3: N
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 474
Find ha3 670
Found 0:SP3_SP3_SP3
Found C
Found C[5]
Found N
Found 4:3:1:1:
Found 4:2:4:1:
Angle value 111
Angle siga 2.77
Number of observations  70
Approximation level 3
Finally the angle value is 111
It sig value is 2.77
Target angle value : 111

%=========================================%
Angle between C3(center) and N and H3

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : N
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom3: H3
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:4:1:
Found 4:
Found C[5]-4:N-3:H-1:H-1:
Angle value 109
Angle siga 1.01
Number of observations  866
Approximation level 2
Finally the angle value is 109
It sig value is 1.01
Target angle value : 109

%=========================================%
Angle between C3(center) and N and H3A

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : N
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:4:1:
Its codNBSymb C-4:S-4:H-1:
Its atom type main section N(CC[5]HH)(SCOO)(H)
Its atom type full N(CC[5]HH)(SCOO)(H)

Atom3: H3A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:4:1:
Found 4:
Found C[5]-4:N-3:H-1:H-1:
Angle value 109
Angle siga 1.01
Number of observations  866
Approximation level 2
Finally the angle value is 109
It sig value is 1.01
Target angle value : 109

%=========================================%
Angle between C3(center) and C4' and H3

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : C4'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom3: H3
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C[5]
Found H
Found 4:3:1:1:
Found 4:2:4:1:
Found 4:
Found C[5]-4:N-3:H-1:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C-4:
Angle value 109
Angle siga 0.754
Number of observations  42
Approximation level 1
Finally the angle value is 109
It sig value is 0.754
Target angle value : 109

%=========================================%
Angle between C3(center) and C4' and H3A

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : C4'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom3: H3A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C[5]
Found H
Found 4:3:1:1:
Found 4:2:4:1:
Found 4:
Found C[5]-4:N-3:H-1:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C-4:
Angle value 109
Angle siga 0.754
Number of observations  42
Approximation level 1
Finally the angle value is 109
It sig value is 0.754
Target angle value : 109

%=========================================%
Angle between C3(center) and H3A and H3

Center Atom : C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main sec C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom2 : H3A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

Atom3: H3
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC[5]HN)
Its atom type full H(CC[5]HN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:3:1:1:
Found 4:
Found 4:
Found C[5]-4:N-3:H-1:H-1:
Found C-4:
Found C-4:
Angle value 108
Angle siga 1.71
Number of observations  68
Approximation level 1
Finally the angle value is 108
It sig value is 1.71
Target angle value : 108

%=========================================%
Angle between N3(center) and C2 and C4

Center Atom : N3
Its Hashing code  371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[6a]-3:
Its atom type main sec N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its atom type full N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}

Atom2 : C2
Its Hashing code 643
Its root atom symbol C[6a]
Its codNB2Symb 2:2:1:
Its codNBSymb N[6a]-2:N[6a]-2:H-1:
Its atom type main section C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Its atom type full C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}

Atom3: C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main section C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 371
Find ha2 643
Find ha3 727
Found 6:SP2_SP2_SP2
Found N[6a]
Found C[6a]
Found C[5a,6a]
Found 3:3:
Found 2:2:1:
Found 3:3:2:
Found C[5a,6a]-3:C[6a]-3:
Found N[6a]-2:N[6a]-2:H-1:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Found C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Angle value 111
Angle siga 0.641
Number of observations  37
Approximation level 0
Finally the angle value is 111
It sig value is 0.641
Target angle value : 111

%=========================================%
Angle between C4(center) and N3 and C5

Center Atom : C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

Atom2 : N3
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[6a]-3:
Its atom type main section N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its atom type full N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}

Atom3: C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main section C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 727
Find ha2 371
Find ha3 727
Found 6:SP2_SP2_SP2
Found C[5a,6a]
Found N[6a]
Found C[5a,6a]
Found 3:3:2:
Found 3:3:
Found 3:3:2:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found C[5a,6a]-3:C[6a]-3:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Found N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Angle value 127
Angle siga 0.508
Number of observations  25
Approximation level 0
Finally the angle value is 127
It sig value is 0.508
Target angle value : 127

%=========================================%
Angle between C4(center) and N3 and N9

Center Atom : C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

Atom2 : N3
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[6a]-3:
Its atom type main section N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Its atom type full N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 727
Find ha2 371
Find ha3 813
Found 0:SP2_SP2_SP3
Found C[5a,6a]
Found N[6a]
Found N[5a]
Found 3:3:2:
Found 3:3:
Found 3:4:3:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found C[5a,6a]-3:C[6a]-3:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Found N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Angle value 125
Angle siga 0.795
Number of observations  3
Approximation level 1
Angle value 125
Angle siga 0.795
Number of observations  3
Approximation level 1
Angle value 126
Angle siga 1.25
Number of observations  6
Approximation level 2
Finally the angle value is 126
It sig value is 1.25
Target angle value : 126

%=========================================%
Angle between C4(center) and C5 and N9

Center Atom : C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

Atom2 : C5
Its Hashing code 727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main section C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP2_SP2_SP3
Find ha1 727
Find ha2 727
Find ha3 813
Found 5:SP2_SP2_SP3
Found C[5a,6a]
Found C[5a,6a]
Found N[5a]
Found 3:3:2:
Found 3:3:2:
Found 3:4:3:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Angle value 106
Angle siga 0.058
Number of observations  2
Approximation level 1
Angle value 106
Angle siga 0.409
Number of observations  4
Approximation level 2
Angle value 108
Angle siga 1.69
Number of observations  562
Approximation level 3
Finally the angle value is 108
It sig value is 1.69
Target angle value : 108

%=========================================%
Angle between C5(center) and C6 and C4

Center Atom : C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

Atom2 : C6
Its Hashing code 643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main section C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom3: C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main section C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 727
Find ha2 643
Find ha3 727
Found 6:SP2_SP2_SP2
Found C[5a,6a]
Found C[6a]
Found C[5a,6a]
Found 3:3:2:
Found 3:2:3:
Found 3:3:2:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Angle value 117
Angle siga 0.366
Number of observations  22
Approximation level 0
Finally the angle value is 117
It sig value is 0.366
Target angle value : 117

%=========================================%
Angle between C5(center) and N7 and C4

Center Atom : C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

Atom2 : N7
Its Hashing code 519
Its root atom symbol N[5a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}

Atom3: C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main section C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP2_SP2_SP2
Find ha1 727
Find ha2 519
Find ha3 727
Found 5:SP2_SP2_SP2
Found C[5a,6a]
Found N[5a]
Found C[5a,6a]
Found 3:3:2:
Found 3:3:
Found 3:3:2:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[5a,6a]-3:C[5a]-3:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Found N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Angle value 111
Angle siga 0.357
Number of observations  19
Approximation level 0
Finally the angle value is 111
It sig value is 0.357
Target angle value : 111

%=========================================%
Angle between C5(center) and N7 and C6

Center Atom : C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main sec C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

Atom2 : N7
Its Hashing code 519
Its root atom symbol N[5a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}

Atom3: C6
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main section C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP2
Find ha1 727
Find ha2 519
Find ha3 643
Found 0:SP2_SP2_SP2
Found C[5a,6a]
Found N[5a]
Found C[6a]
Found 3:3:2:
Found 3:3:
Found 3:2:3:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[5a,6a]-3:C[5a]-3:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Found N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Angle value 132
Angle siga 0.774
Number of observations  63
Approximation level 0
Finally the angle value is 132
It sig value is 0.774
Target angle value : 132

%=========================================%
Angle between C6(center) and N1 and C5

Center Atom : C6
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main sec C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom2 : N1
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[6a]-3:C[6a]-3:
Its atom type main section N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its atom type full N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}

Atom3: C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main section C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

These 3 atoms are in a ring of size 6
The hybridization on three atoms is 6:SP2_SP2_SP2
Find ha1 643
Find ha2 371
Find ha3 727
Found 6:SP2_SP2_SP2
Found C[6a]
Found N[6a]
Found C[5a,6a]
Found 3:2:3:
Found 3:3:
Found 3:3:2:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found C[6a]-3:C[6a]-3:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Angle value 117
Angle siga 0.601
Number of observations  65
Approximation level 0
Finally the angle value is 117
It sig value is 0.601
Target angle value : 117

%=========================================%
Angle between C6(center) and N1 and N6

Center Atom : C6
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main sec C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom2 : N1
Its Hashing code 371
Its root atom symbol N[6a]
Its codNB2Symb 3:3:
Its codNBSymb C[6a]-3:C[6a]-3:
Its atom type main section N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Its atom type full N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}

Atom3: N6
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 3:1:1:
Its codNBSymb C[6a]-3:H-1:H-1:
Its atom type main section N(C[6a]C[5a,6a]N[6a])(H)2
Its atom type full N(C[6a]C[5a,6a]N[6a])(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP2
Find ha1 643
Find ha2 371
Find ha3 670
Found 0:SP2_SP2_SP2
Found C[6a]
Found N[6a]
Found N
Found 3:2:3:
Found 3:3:
Found 3:1:1:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found C[6a]-3:C[6a]-3:
Found C[6a]-3:H-1:H-1:
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)
Found N(C[6a]C[5a,6a]N[6a])(H)2
Angle value 119
Angle siga 0.71
Number of observations  55
Approximation level 0
Finally the angle value is 119
It sig value is 0.71
Target angle value : 119

%=========================================%
Angle between C6(center) and N6 and C5

Center Atom : C6
Its Hashing code  643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main sec C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom2 : N6
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 3:1:1:
Its codNBSymb C[6a]-3:H-1:H-1:
Its atom type main section N(C[6a]C[5a,6a]N[6a])(H)2
Its atom type full N(C[6a]C[5a,6a]N[6a])(H)2

Atom3: C5
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main section C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP2
Find ha1 643
Find ha2 670
Find ha3 727
Found 0:SP2_SP2_SP2
Found C[6a]
Found N
Found C[5a,6a]
Found 3:2:3:
Found 3:1:1:
Found 3:3:2:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found C[6a]-3:H-1:H-1:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found N(C[6a]C[5a,6a]N[6a])(H)2
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Angle value 124
Angle siga 0.911
Number of observations  60
Approximation level 0
Finally the angle value is 124
It sig value is 0.911
Target angle value : 124

%=========================================%
Angle between N6(center) and C6 and HN6

Center Atom : N6
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 3:1:1:
Its codNBSymb C[6a]-3:H-1:H-1:
Its atom type main sec N(C[6a]C[5a,6a]N[6a])(H)2
Its atom type full N(C[6a]C[5a,6a]N[6a])(H)2

Atom2 : C6
Its Hashing code 643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main section C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom3: HN6
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NC[6a]H)
Its atom type full H(NC[6a]H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 670
Find ha2 643
Find ha3 690
Found 0:SP2_SP-NON_SP2
Found N
Found C[6a]
Found H
Found 3:1:1:
Found 3:2:3:
Found 3:
Found C[6a]-3:H-1:H-1:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found N-3:
Found N(C[6a]C[5a,6a]N[6a])(H)2
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found H(NC[6a]H)
Angle value 120
Angle siga 1.46
Number of observations  120
Approximation level 0
Finally the angle value is 120
It sig value is 1.46
Target angle value : 120

%=========================================%
Angle between N6(center) and C6 and HN6A

Center Atom : N6
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 3:1:1:
Its codNBSymb C[6a]-3:H-1:H-1:
Its atom type main sec N(C[6a]C[5a,6a]N[6a])(H)2
Its atom type full N(C[6a]C[5a,6a]N[6a])(H)2

Atom2 : C6
Its Hashing code 643
Its root atom symbol C[6a]
Its codNB2Symb 3:2:3:
Its codNBSymb C[5a,6a]-3:N[6a]-2:N-3:
Its atom type main section C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Its atom type full C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}

Atom3: HN6A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NC[6a]H)
Its atom type full H(NC[6a]H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 670
Find ha2 643
Find ha3 690
Found 0:SP2_SP-NON_SP2
Found N
Found C[6a]
Found H
Found 3:1:1:
Found 3:2:3:
Found 3:
Found C[6a]-3:H-1:H-1:
Found C[5a,6a]-3:N[6a]-2:N-3:
Found N-3:
Found N(C[6a]C[5a,6a]N[6a])(H)2
Found C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)
Found H(NC[6a]H)
Angle value 120
Angle siga 1.46
Number of observations  120
Approximation level 0
Finally the angle value is 120
It sig value is 1.46
Target angle value : 120

%=========================================%
Angle between N6(center) and HN6A and HN6

Center Atom : N6
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 3:1:1:
Its codNBSymb C[6a]-3:H-1:H-1:
Its atom type main sec N(C[6a]C[5a,6a]N[6a])(H)2
Its atom type full N(C[6a]C[5a,6a]N[6a])(H)2

Atom2 : HN6A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NC[6a]H)
Its atom type full H(NC[6a]H)

Atom3: HN6
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NC[6a]H)
Its atom type full H(NC[6a]H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP-NON
Find ha1 670
Find ha2 690
Find ha3 690
Found 0:SP2_SP-NON_SP-NON
Found N
Found H
Found H
Found 3:1:1:
Found 3:
Found 3:
Found C[6a]-3:H-1:H-1:
Found N-3:
Found N-3:
Found N(C[6a]C[5a,6a]N[6a])(H)2
Found H(NC[6a]H)
Found H(NC[6a]H)
Angle value 121
Angle siga 1.88
Number of observations  88
Approximation level 0
Finally the angle value is 121
It sig value is 1.88
Target angle value : 121

%=========================================%
Angle between N7(center) and C5 and C8

Center Atom : N7
Its Hashing code  519
Its root atom symbol N[5a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[5a]-3:
Its atom type main sec N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}

Atom2 : C5
Its Hashing code 727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:C[6a]-3:N[5a]-2:
Its atom type main section C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Its atom type full C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}

Atom3: C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main section C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP2_SP2_SP2
Find ha1 519
Find ha2 727
Find ha3 727
Found 5:SP2_SP2_SP2
Found N[5a]
Found C[5a,6a]
Found C[5a]
Found 3:3:
Found 3:3:2:
Found 3:2:1:
Found C[5a,6a]-3:C[5a]-3:
Found C[5a,6a]-3:C[6a]-3:N[5a]-2:
Found N[5a]-3:N[5a]-2:H-1:
Found N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Found C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Angle value 104
Angle siga 0.645
Number of observations  296
Approximation level 1
Finally the angle value is 104
It sig value is 0.645
Target angle value : 104

%=========================================%
Angle between C8(center) and N7 and N9

Center Atom : C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main sec C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

Atom2 : N7
Its Hashing code 519
Its root atom symbol N[5a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP2_SP2_SP3
Find ha1 727
Find ha2 519
Find ha3 813
Found 5:SP2_SP2_SP3
Found C[5a]
Found N[5a]
Found N[5a]
Found 3:2:1:
Found 3:3:
Found 3:4:3:
Found N[5a]-3:N[5a]-2:H-1:
Found C[5a,6a]-3:C[5a]-3:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Found N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Angle value 114
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 115
Angle siga 1.18
Number of observations  2
Approximation level 2
Angle value 112
Angle siga 1.94
Number of observations  138
Approximation level 3
Finally the angle value is 112
It sig value is 1.94
Target angle value : 112

%=========================================%
Angle between C8(center) and N7 and H8

Center Atom : C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main sec C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

Atom2 : N7
Its Hashing code 519
Its root atom symbol N[5a]
Its codNB2Symb 3:3:
Its codNBSymb C[5a,6a]-3:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}

Atom3: H8
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb C[5a]-3:
Its atom type main section H(C[5a]N[5a]2)
Its atom type full H(C[5a]N[5a]2)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 727
Find ha2 519
Find ha3 690
Found 0:SP2_SP-NON_SP2
Found C[5a]
Found N[5a]
Found H
Found 3:2:1:
Found 3:3:
Found 3:
Found N[5a]-3:N[5a]-2:H-1:
Found C[5a,6a]-3:C[5a]-3:
Found C[5a]-3:
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Found N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)
Found H(C[5a]N[5a]2)
Angle value 123
Angle siga 0.703
Number of observations  52
Approximation level 0
Finally the angle value is 123
It sig value is 0.703
Target angle value : 123

%=========================================%
Angle between C8(center) and H8 and N9

Center Atom : C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main sec C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

Atom2 : H8
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb C[5a]-3:
Its atom type main section H(C[5a]N[5a]2)
Its atom type full H(C[5a]N[5a]2)

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP3
Find ha1 727
Find ha2 690
Find ha3 813
Found 0:SP2_SP-NON_SP3
Found C[5a]
Found H
Found N[5a]
Found 3:2:1:
Found 3:
Found 3:4:3:
Found N[5a]-3:N[5a]-2:H-1:
Found C[5a]-3:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Found H(C[5a]N[5a]2)
Angle value 123
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 123
Angle siga 0.699
Number of observations  2
Approximation level 2
Angle value 125
Angle siga 2.19
Number of observations  237
Approximation level 3
Finally the angle value is 125
It sig value is 2.19
Target angle value : 125

%=========================================%
Angle between N9(center) and C4 and C8

Center Atom : N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main sec N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

Atom2 : C4
Its Hashing code 727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main section C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

Atom3: C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main section C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP2_SP2
Find ha1 813
Find ha2 727
Find ha3 727
Found 5:SP3_SP2_SP2
Found N[5a]
Found C[5a,6a]
Found C[5a]
Found 3:4:3:
Found 3:3:2:
Found 3:2:1:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found N[5a]-3:N[5a]-2:H-1:
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Angle value 106
Angle siga 1.56
Number of observations  2
Approximation level 1
Angle value 106
Angle siga 1.56
Number of observations  2
Approximation level 1
Angle value 106
Angle siga 1.26
Number of observations  4
Approximation level 2
Angle value 108
Angle siga 1.33
Number of observations  277
Approximation level 3
Finally the angle value is 108
It sig value is 1.33
Target angle value : 108

%=========================================%
Angle between N9(center) and C1' and C4

Center Atom : N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main sec N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: C4
Its Hashing code  727
Its root atom symbol C[5a,6a]
Its codNB2Symb 3:3:2:
Its codNBSymb C[5a,6a]-3:N[5a]-3:N[6a]-2:
Its atom type main section C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Its atom type full C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 813
Find ha2 474
Find ha3 727
Found 0:SP3_SP2_SP3
Found N[5a]
Found C[5]
Found C[5a,6a]
Found 3:4:3:
Found 3:4:2:1:
Found 3:3:2:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5a,6a]-3:N[5a]-3:N[6a]-2:
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])
Angle value 124
Angle siga 0.282
Number of observations  2
Approximation level 1
Angle value 124
Angle siga 0.282
Number of observations  2
Approximation level 1
Angle value 125
Angle siga 0.668
Number of observations  4
Approximation level 2
Angle value 125
Angle siga 1.54
Number of observations  11
Approximation level 3
Finally the angle value is 125
It sig value is 1.54
Target angle value : 125

%=========================================%
Angle between N9(center) and C1' and C8

Center Atom : N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main sec N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: C8
Its Hashing code  727
Its root atom symbol C[5a]
Its codNB2Symb 3:2:1:
Its codNBSymb N[5a]-3:N[5a]-2:H-1:
Its atom type main section C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Its atom type full C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 813
Find ha2 474
Find ha3 727
Found 0:SP3_SP2_SP3
Found N[5a]
Found C[5]
Found C[5a]
Found 3:4:3:
Found 3:4:2:1:
Found 3:2:1:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found N[5a]-3:N[5a]-2:H-1:
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)
Angle value 127
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 127
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 128
Angle siga 1.07
Number of observations  2
Approximation level 2
Angle value 126
Angle siga 2.46
Number of observations  25
Approximation level 3
Finally the angle value is 126
It sig value is 2.46
Target angle value : 126

%=========================================%
Angle between CA(center) and C and N2

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: N2
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main section N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 670
Found 0:SP3_SP3_SP3
Found C
Found C
Found N
Found 4:4:3:1:
Found 4:4:2:1:
Found 4:1:1:
Found C-4:C-4:N-3:H-1:
Angle value 112
Angle siga 2.42
Number of observations  2
Approximation level 2
Angle value 112
Angle siga 2.59
Number of observations  5600
Approximation level 3
Finally the angle value is 112
It sig value is 2.59
Target angle value : 112

%=========================================%
Angle between CA(center) and C and CB

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:3:1:
Found 4:4:2:1:
Found 4:4:4:1:
Found C-4:C-4:N-3:H-1:
Found C-4:C-4:S-2:H-1:
Found C-4:C-4:C-4:H-1:
Angle value 114
Angle siga 1.28
Number of observations  4
Approximation level 1
Angle value 114
Angle siga 0.999
Number of observations  8
Approximation level 2
Finally the angle value is 114
It sig value is 0.999
Target angle value : 114

%=========================================%
Angle between CA(center) and C and HA

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: HA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCN)
Its atom type full H(CCCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:3:1:
Found 4:4:2:1:
Found 4:
Found C-4:C-4:N-3:H-1:
Found C-4:C-4:S-2:H-1:
Found C-4:
Angle value 107
Angle siga 0.512
Number of observations  7
Approximation level 1
Finally the angle value is 107
It sig value is 0.512
Target angle value : 107

%=========================================%
Angle between CA(center) and CB and N2

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: N2
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main section N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 670
Found 0:SP3_SP3_SP3
Found C
Found C
Found N
Found 4:4:3:1:
Found 4:4:4:1:
Found 4:1:1:
Found C-4:C-4:N-3:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:H-1:H-1:
Angle value 111
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 111
Angle siga 0
Number of observations  1
Approximation level 2
Angle value 112
Angle siga 2.59
Number of observations  5600
Approximation level 3
Finally the angle value is 112
It sig value is 2.59
Target angle value : 112

%=========================================%
Angle between CA(center) and N2 and HA

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : N2
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:1:1:
Its codNBSymb C-4:H-1:H-1:
Its atom type main section N(CCCH)(H)2
Its atom type full N(CCCH)(H)2

Atom3: HA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCN)
Its atom type full H(CCCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found N
Found H
Found 4:4:3:1:
Found 4:1:1:
Found 4:
Found C-4:C-4:N-3:H-1:
Found C-4:H-1:H-1:
Found C-4:
Angle value 108
Angle siga 1.55
Number of observations  13
Approximation level 1
Finally the angle value is 108
It sig value is 1.55
Target angle value : 108

%=========================================%
Angle between CA(center) and CB and HA

Center Atom : CA
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main sec C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCN)
Its atom type full H(CCCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:3:1:
Found 4:4:4:1:
Found 4:
Found C-4:C-4:N-3:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Angle value 107
Angle siga 1.04
Number of observations  58
Approximation level 1
Finally the angle value is 107
It sig value is 1.04
Target angle value : 107

%=========================================%
Angle between CB(center) and CA and CG1

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:1:
Found 4:4:3:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:H-1:
Found C-4:C-4:N-3:H-1:
Found C-4:H-1:H-1:H-1:
Found C(CCHN)(CH3)2(H)
Angle value 112
Angle siga 1.56
Number of observations  129
Approximation level 1
Finally the angle value is 112
It sig value is 1.56
Target angle value : 112

%=========================================%
Angle between CB(center) and CA and CG2

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:1:
Found 4:4:3:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:H-1:
Found C-4:C-4:N-3:H-1:
Found C-4:H-1:H-1:H-1:
Found C(CCHN)(CH3)2(H)
Angle value 112
Angle siga 1.56
Number of observations  129
Approximation level 1
Finally the angle value is 112
It sig value is 1.56
Target angle value : 112

%=========================================%
Angle between CB(center) and CA and HB

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CA
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:3:1:
Its codNBSymb C-4:C-4:N-3:H-1:
Its atom type main section C(CCCH)(CCHS)(NHH)(H)
Its atom type full C(CCCH)(CCHS)(NHH)(H)

Atom3: HB
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC3)
Its atom type full H(CC3)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:4:1:
Found 4:4:3:1:
Found 4:
Found C-4:C-4:C-4:H-1:
Found C-4:C-4:N-3:H-1:
Found C-4:
Found C(CCHN)(CH3)2(H)
Angle value 108
Angle siga 2.03
Number of observations  69
Approximation level 1
Finally the angle value is 108
It sig value is 2.03
Target angle value : 108

%=========================================%
Angle between CB(center) and CG2 and CG1

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CG2
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom3: CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:1:
Found 4:1:1:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:H-1:
Found C-4:H-1:H-1:H-1:
Found C-4:H-1:H-1:H-1:
Found C(CCHN)(CH3)2(H)
Found C(CCCH)(H)3
Found C(CCCH)(H)3
Angle value 111
Angle siga 1.45
Number of observations  256
Approximation level 0
Finally the angle value is 111
It sig value is 1.45
Target angle value : 111

%=========================================%
Angle between CB(center) and CG1 and HB

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CG1
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom3: HB
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC3)
Its atom type full H(CC3)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:4:1:
Found 4:1:1:1:
Found 4:
Found C-4:C-4:C-4:H-1:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C(CCHN)(CH3)2(H)
Found C(CCCH)(H)3
Found H(CC3)
Angle value 108
Angle siga 1.07
Number of observations  486
Approximation level 0
Finally the angle value is 108
It sig value is 1.07
Target angle value : 108

%=========================================%
Angle between CB(center) and CG2 and HB

Center Atom : CB
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main sec C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom2 : CG2
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom3: HB
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CC3)
Its atom type full H(CC3)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:4:4:1:
Found 4:1:1:1:
Found 4:
Found C-4:C-4:C-4:H-1:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C(CCHN)(CH3)2(H)
Found C(CCCH)(H)3
Found H(CC3)
Angle value 108
Angle siga 1.07
Number of observations  486
Approximation level 0
Finally the angle value is 108
It sig value is 1.07
Target angle value : 108

%=========================================%
Angle between C1'(center) and C2' and N9

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 813
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found N[5a]
Found 3:4:2:1:
Found 4:4:2:1:
Found 3:4:3:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Angle value 113
Angle siga 3.35
Number of observations  2
Approximation level 1
Angle value 113
Angle siga 3.35
Number of observations  2
Approximation level 1
Angle value 113
Angle siga 3.35
Number of observations  2
Approximation level 2
Angle value 114
Angle siga 2.2
Number of observations  9
Approximation level 3
Finally the angle value is 114
It sig value is 2.2
Target angle value : 114

%=========================================%
Angle between C1'(center) and O4' and N9

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 358
Find ha3 813
Found 0:SP3_SP3_SP3
Found C[5]
Found O[5]
Found N[5a]
Found 3:4:2:1:
Found 4:4:
Found 3:4:3:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Angle value 108
Angle siga 1.69
Number of observations  4
Approximation level 1
Angle value 108
Angle siga 1.69
Number of observations  4
Approximation level 1
Angle value 108
Angle siga 1.51
Number of observations  5
Approximation level 2
Finally the angle value is 108
It sig value is 1.51
Target angle value : 108

%=========================================%
Angle between C1'(center) and H1' and N9

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : H1'
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]N[5a]C[5]O[5])
Its atom type full H(C[5]N[5a]C[5]O[5])

Atom3: N9
Its Hashing code  813
Its root atom symbol N[5a]
Its codNB2Symb 3:4:3:
Its codNBSymb C[5a,6a]-3:C[5]-4:C[5a]-3:
Its atom type main section N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Its atom type full N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 690
Find ha3 813
Found 0:SP3_SP-NON_SP3
Found C[5]
Found H
Found N[5a]
Found 3:4:2:1:
Found 4:
Found 3:4:3:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:
Found C[5a,6a]-3:C[5]-4:C[5a]-3:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found H(C[5]N[5a]C[5]O[5])
Found N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)
Angle value 109
Angle siga 0.524
Number of observations  4
Approximation level 1
Angle value 109
Angle siga 0.524
Number of observations  4
Approximation level 1
Angle value 109
Angle siga 0.456
Number of observations  5
Approximation level 2
Finally the angle value is 109
It sig value is 0.456
Target angle value : 109

%=========================================%
Angle between C1'(center) and O4' and C2'

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP3_SP3
Find ha1 474
Find ha2 358
Find ha3 474
Found 5:SP3_SP3_SP3
Found C[5]
Found O[5]
Found C[5]
Found 3:4:2:1:
Found 4:4:
Found 4:4:2:1:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Angle value 106
Angle siga 1.16
Number of observations  12
Approximation level 0
Finally the angle value is 106
It sig value is 1.16
Target angle value : 106

%=========================================%
Angle between C1'(center) and C2' and H1'

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: H1'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]N[5a]C[5]O[5])
Its atom type full H(C[5]N[5a]C[5]O[5])

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 3:4:2:1:
Found 4:4:2:1:
Found 4:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found H(C[5]N[5a]C[5]O[5])
Angle value 109
Angle siga 1.46
Number of observations  14
Approximation level 0
Finally the angle value is 109
It sig value is 1.46
Target angle value : 109

%=========================================%
Angle between C1'(center) and O4' and H1'

Center Atom : C1'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main sec C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: H1'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]N[5a]C[5]O[5])
Its atom type full H(C[5]N[5a]C[5]O[5])

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 358
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found O[5]
Found H
Found 3:4:2:1:
Found 4:4:
Found 4:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:
Found C[5]-4:
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Found H(C[5]N[5a]C[5]O[5])
Angle value 110
Angle siga 1.05
Number of observations  22
Approximation level 0
Finally the angle value is 110
It sig value is 1.05
Target angle value : 110

%=========================================%
Angle between S1P(center) and C and C2P

Center Atom : S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main sec S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

Atom2 : C
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:2:1:
Its codNBSymb C-4:C-4:S-2:H-1:
Its atom type main section C(CCHN)(CHHS)(SC)(H)
Its atom type full C(CCHN)(CHHS)(SC)(H)

Atom3: C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main section C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 975
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found S
Found C
Found C
Found 4:4:
Found 4:4:2:1:
Found 4:2:1:1:
Found C-4:C-4:
Found C-4:C-4:S-2:H-1:
Found C-4:S-2:H-1:H-1:
Found S(CCCH)(CCHH)
Angle value 104
Angle siga 0
Number of observations  1
Approximation level 1
Angle value 104
Angle siga 0
Number of observations  1
Approximation level 2
Angle value 102
Angle siga 1.86
Number of observations  586
Approximation level 3
Finally the angle value is 102
It sig value is 1.86
Target angle value : 102

%=========================================%
Angle between C2'(center) and C1' and O2

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: O2
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 960
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found O
Found 4:4:2:1:
Found 3:4:2:1:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:H-1:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found O(C[5]C[5]2H)(H)
Angle value 112
Angle siga 2.69
Number of observations  14
Approximation level 0
Finally the angle value is 112
It sig value is 2.69
Target angle value : 112

%=========================================%
Angle between C2'(center) and C3' and O2

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : C3'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom3: O2
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 960
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found O
Found 4:4:2:1:
Found 4:4:2:1:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:H-1:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found O(C[5]C[5]2H)(H)
Angle value 113
Angle siga 2.45
Number of observations  27
Approximation level 0
Finally the angle value is 113
It sig value is 2.45
Target angle value : 113

%=========================================%
Angle between C2'(center) and H2' and O2

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : H2'
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

Atom3: O2
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 690
Find ha3 960
Found 0:SP3_SP-NON_SP3
Found C[5]
Found H
Found O
Found 4:4:2:1:
Found 4:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5]-4:H-1:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found H(C[5]C[5]2O)
Found O(C[5]C[5]2H)(H)
Angle value 110
Angle siga 1.97
Number of observations  29
Approximation level 0
Finally the angle value is 110
It sig value is 1.97
Target angle value : 110

%=========================================%
Angle between C2'(center) and C1' and C3'

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 474
Found 5:SP3_SP3_SP3
Found C[5]
Found C[5]
Found C[5]
Found 4:4:2:1:
Found 3:4:2:1:
Found 4:4:2:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Angle value 101
Angle siga 0.7
Number of observations  12
Approximation level 0
Finally the angle value is 101
It sig value is 0.7
Target angle value : 101

%=========================================%
Angle between C2'(center) and C1' and H2'

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: H2'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 4:4:2:1:
Found 3:4:2:1:
Found 4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Found H(C[5]C[5]2O)
Angle value 111
Angle siga 1.7
Number of observations  14
Approximation level 0
Finally the angle value is 111
It sig value is 1.7
Target angle value : 111

%=========================================%
Angle between C2'(center) and C3' and H2'

Center Atom : C2'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom2 : C3'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom3: H2'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 4:4:2:1:
Found 4:4:2:1:
Found 4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found H(C[5]C[5]2O)
Angle value 111
Angle siga 1.51
Number of observations  27
Approximation level 0
Finally the angle value is 111
It sig value is 1.51
Target angle value : 111

%=========================================%
Angle between P2A(center) and O4A and O3

Center Atom : P2A
Its Hashing code  981
Its root atom symbol P
Its codNB2Symb 2:1:1:
Its codNBSymb O-2:O-1:O-1:
Its atom type main sec P(OC)(O)2
Its atom type full P(OC)(O)2

Atom2 : O4A
Its Hashing code 955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb P-3:
Its atom type main section O(POO)
Its atom type full O(POO)

Atom3: O3
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb P-3:
Its atom type main section O(POO)
Its atom type full O(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP2
Center atom bond index is  3
Finally the angle value is 109
It sig value is 3
Target angle value : 109

%=========================================%
Angle between P2A(center) and O3 and O6A

Center Atom : P2A
Its Hashing code  981
Its root atom symbol P
Its codNB2Symb 2:1:1:
Its codNBSymb O-2:O-1:O-1:
Its atom type main sec P(OC)(O)2
Its atom type full P(OC)(O)2

Atom2 : O3
Its Hashing code 955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb P-3:
Its atom type main section O(POO)
Its atom type full O(POO)

Atom3: O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main section O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Center atom bond index is  3
Finally the angle value is 109
It sig value is 3
Target angle value : 109

%=========================================%
Angle between P2A(center) and O4A and O6A

Center Atom : P2A
Its Hashing code  981
Its root atom symbol P
Its codNB2Symb 2:1:1:
Its codNBSymb O-2:O-1:O-1:
Its atom type main sec P(OC)(O)2
Its atom type full P(OC)(O)2

Atom2 : O4A
Its Hashing code 955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb P-3:
Its atom type main section O(POO)
Its atom type full O(POO)

Atom3: O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main section O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Center atom bond index is  3
Finally the angle value is 109
It sig value is 3
Target angle value : 109

%=========================================%
Angle between C2P(center) and C3P and S1P

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : C3P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 975
Found 0:SP3_SP3_SP3
Found C
Found C
Found S
Found 4:2:1:1:
Found 4:3:1:1:
Found 4:4:
Found C-4:S-2:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:C-4:
Found C(CHHN)(SC)(H)2
Found C(CHHS)(NCH)(H)2
Angle value 113
Angle siga 2.37
Number of observations  51
Approximation level 1
Finally the angle value is 113
It sig value is 2.37
Target angle value : 113

%=========================================%
Angle between C2P(center) and H2P and S1P

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : H2P
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 975
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found S
Found 4:2:1:1:
Found 4:
Found 4:4:
Found C-4:S-2:H-1:H-1:
Found C-4:
Found C-4:C-4:
Found C(CHHN)(SC)(H)2
Found H(CCHS)
Angle value 109
Angle siga 1.06
Number of observations  1143
Approximation level 1
Finally the angle value is 109
It sig value is 1.06
Target angle value : 109

%=========================================%
Angle between C2P(center) and H2PA and S1P

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : H2PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: S1P
Its Hashing code  975
Its root atom symbol S
Its codNB2Symb 4:4:
Its codNBSymb C-4:C-4:
Its atom type main section S(CCCH)(CCHH)
Its atom type full S(CCCH)(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 975
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found S
Found 4:2:1:1:
Found 4:
Found 4:4:
Found C-4:S-2:H-1:H-1:
Found C-4:
Found C-4:C-4:
Found C(CHHN)(SC)(H)2
Found H(CCHS)
Angle value 109
Angle siga 1.06
Number of observations  1143
Approximation level 1
Finally the angle value is 109
It sig value is 1.06
Target angle value : 109

%=========================================%
Angle between C2P(center) and C3P and H2P

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : C3P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom3: H2P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:2:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:S-2:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C(CHHN)(SC)(H)2
Found C(CHHS)(NCH)(H)2
Found H(CCHS)
Angle value 109
Angle siga 0.588
Number of observations  27
Approximation level 0
Finally the angle value is 109
It sig value is 0.588
Target angle value : 109

%=========================================%
Angle between C2P(center) and C3P and H2PA

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : C3P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom3: H2PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:2:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:S-2:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C(CHHN)(SC)(H)2
Found C(CHHS)(NCH)(H)2
Found H(CCHS)
Angle value 109
Angle siga 0.588
Number of observations  27
Approximation level 0
Finally the angle value is 109
It sig value is 0.588
Target angle value : 109

%=========================================%
Angle between C2P(center) and H2PA and H2P

Center Atom : C2P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main sec C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom2 : H2PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

Atom3: H2P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHS)
Its atom type full H(CCHS)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:2:1:1:
Found 4:
Found 4:
Found C-4:S-2:H-1:H-1:
Found C-4:
Found C-4:
Found C(CHHN)(SC)(H)2
Found H(CCHS)
Found H(CCHS)
Angle value 108
Angle siga 0.608
Number of observations  88
Approximation level 0
Finally the angle value is 108
It sig value is 0.608
Target angle value : 108

%=========================================%
Angle between C3'(center) and C2' and O1

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: O1
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 960
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found O
Found 4:4:2:1:
Found 4:4:2:1:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:H-1:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found O(C[5]C[5]2H)(H)
Angle value 112
Angle siga 2.83
Number of observations  26
Approximation level 0
Finally the angle value is 112
It sig value is 2.83
Target angle value : 112

%=========================================%
Angle between C3'(center) and C4' and O1

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : C4'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom3: O1
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 960
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found O
Found 4:4:2:1:
Found 4:2:4:1:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:H-1:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Angle value 111
Angle siga 2.41
Number of observations  217
Approximation level 1
Finally the angle value is 111
It sig value is 2.41
Target angle value : 111

%=========================================%
Angle between C3'(center) and H3' and O1

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : H3'
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

Atom3: O1
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C[5]-4:H-1:
Its atom type main section O(C[5]C[5]2H)(H)
Its atom type full O(C[5]C[5]2H)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 690
Find ha3 960
Found 0:SP3_SP-NON_SP3
Found C[5]
Found H
Found O
Found 4:4:2:1:
Found 4:
Found 4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5]-4:H-1:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found H(C[5]C[5]2O)
Found O(C[5]C[5]2H)(H)
Angle value 110
Angle siga 1.67
Number of observations  90
Approximation level 0
Finally the angle value is 110
It sig value is 1.67
Target angle value : 110

%=========================================%
Angle between C3'(center) and C2' and C4'

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 474
Found 5:SP3_SP3_SP3
Found C[5]
Found C[5]
Found C[5]
Found 4:4:2:1:
Found 4:4:2:1:
Found 4:2:4:1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Angle value 102
Angle siga 1.14
Number of observations  86
Approximation level 1
Finally the angle value is 102
It sig value is 1.14
Target angle value : 102

%=========================================%
Angle between C3'(center) and C2' and H3'

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : C2'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Its atom type full C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}

Atom3: H3'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 4:4:2:1:
Found 4:4:2:1:
Found 4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Found C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)
Found H(C[5]C[5]2O)
Angle value 111
Angle siga 1.75
Number of observations  26
Approximation level 0
Finally the angle value is 111
It sig value is 1.75
Target angle value : 111

%=========================================%
Angle between C3'(center) and C4' and H3'

Center Atom : C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom2 : C4'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom3: H3'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]2O)
Its atom type full H(C[5]C[5]2O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 4:4:2:1:
Found 4:2:4:1:
Found 4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:
Found C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Angle value 111
Angle siga 1.81
Number of observations  256
Approximation level 1
Finally the angle value is 111
It sig value is 1.81
Target angle value : 111

%=========================================%
Angle between C3P(center) and C2P and N4P

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : C2P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main section C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom3: N4P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 490
Find ha2 490
Find ha3 670
Found 0:SP3_SP2_SP3
Found C
Found C
Found N
Found 4:3:1:1:
Found 4:2:1:1:
Found 4:3:1:
Found C-4:N-3:H-1:H-1:
Found C-4:S-2:H-1:H-1:
Found C-4:C-3:H-1:
Found C(CHHS)(NCH)(H)2
Found C(CHHN)(SC)(H)2
Found N(CCHH)(CCO)(H)
Angle value 112
Angle siga 1.54
Number of observations  7
Approximation level 1
Finally the angle value is 112
It sig value is 1.54
Target angle value : 112

%=========================================%
Angle between C3P(center) and C2P and H3P

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : C2P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main section C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom3: H3P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:2:1:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:S-2:H-1:H-1:
Found C-4:
Found C(CHHS)(NCH)(H)2
Found C(CHHN)(SC)(H)2
Found H(CCHN)
Angle value 109
Angle siga 0.927
Number of observations  27
Approximation level 0
Finally the angle value is 109
It sig value is 0.927
Target angle value : 109

%=========================================%
Angle between C3P(center) and C2P and H3PA

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : C2P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:S-2:H-1:H-1:
Its atom type main section C(CHHN)(SC)(H)2
Its atom type full C(CHHN)(SC)(H)2

Atom3: H3PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:2:1:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:S-2:H-1:H-1:
Found C-4:
Found C(CHHS)(NCH)(H)2
Found C(CHHN)(SC)(H)2
Found H(CCHN)
Angle value 109
Angle siga 0.927
Number of observations  27
Approximation level 0
Finally the angle value is 109
It sig value is 0.927
Target angle value : 109

%=========================================%
Angle between C3P(center) and N4P and H3P

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : N4P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: H3P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP2
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:3:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C-4:
Found C(CHHS)(NCH)(H)2
Found N(CCHH)(CCO)(H)
Found H(CCHN)
Angle value 109
Angle siga 0.822
Number of observations  1483
Approximation level 1
Finally the angle value is 109
It sig value is 0.822
Target angle value : 109

%=========================================%
Angle between C3P(center) and N4P and H3PA

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : N4P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: H3PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP2
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:3:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C-4:
Found C(CHHS)(NCH)(H)2
Found N(CCHH)(CCO)(H)
Found H(CCHN)
Angle value 109
Angle siga 0.822
Number of observations  1483
Approximation level 1
Finally the angle value is 109
It sig value is 0.822
Target angle value : 109

%=========================================%
Angle between C3P(center) and H3PA and H3P

Center Atom : C3P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom2 : H3PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

Atom3: H3P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:3:1:1:
Found 4:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C-4:
Found C(CHHS)(NCH)(H)2
Found H(CCHN)
Found H(CCHN)
Angle value 108
Angle siga 0.61
Number of observations  23
Approximation level 0
Finally the angle value is 108
It sig value is 0.61
Target angle value : 108

%=========================================%
Angle between C4'(center) and C3' and C3

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : C3'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom3: C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main section C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 474
Find ha3 490
Found 0:SP3_SP3_SP3
Found C[5]
Found C[5]
Found C
Found 4:2:4:1:
Found 4:4:2:1:
Found 4:3:1:1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:N-3:H-1:H-1:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 115
Angle siga 1.23
Number of observations  6
Approximation level 1
Finally the angle value is 115
It sig value is 1.23
Target angle value : 115

%=========================================%
Angle between C4'(center) and O4' and C3

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: C3
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main section C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 474
Find ha2 358
Find ha3 490
Found 0:SP3_SP3_SP3
Found C[5]
Found O[5]
Found C
Found 4:2:4:1:
Found 4:4:
Found 4:3:1:1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:C[5]-4:
Found C[5]-4:N-3:H-1:H-1:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 109
Angle siga 1.51
Number of observations  19
Approximation level 1
Finally the angle value is 109
It sig value is 1.51
Target angle value : 109

%=========================================%
Angle between C4'(center) and C3 and H4'

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : C3
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C[5]-4:N-3:H-1:H-1:
Its atom type main section C(C[5]C[5]O[5]H)(NHS)(H)2
Its atom type full C(C[5]C[5]O[5]H)(NHS)(H)2

Atom3: H4'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]O[5]C)
Its atom type full H(C[5]C[5]O[5]C)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C
Found H
Found 4:2:4:1:
Found 4:3:1:1:
Found 4:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:N-3:H-1:H-1:
Found C[5]-4:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 109
Angle siga 1.06
Number of observations  25
Approximation level 1
Finally the angle value is 109
It sig value is 1.06
Target angle value : 109

%=========================================%
Angle between C4'(center) and O4' and C3'

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: C3'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP3_SP3
Find ha1 474
Find ha2 358
Find ha3 474
Found 5:SP3_SP3_SP3
Found C[5]
Found O[5]
Found C[5]
Found 4:2:4:1:
Found 4:4:
Found 4:4:2:1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:C[5]-4:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 106
Angle siga 1.19
Number of observations  247
Approximation level 1
Finally the angle value is 106
It sig value is 1.19
Target angle value : 106

%=========================================%
Angle between C4'(center) and C3' and H4'

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : C3'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 4:4:2:1:
Its codNBSymb C[5]-4:C[5]-4:O-2:H-1:
Its atom type main section C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)
Its atom type full C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}

Atom3: H4'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]O[5]C)
Its atom type full H(C[5]C[5]O[5]C)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 474
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found C[5]
Found H
Found 4:2:4:1:
Found 4:4:2:1:
Found 4:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:C[5]-4:O-2:H-1:
Found C[5]-4:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 109
Angle siga 1.21
Number of observations  264
Approximation level 1
Finally the angle value is 109
It sig value is 1.21
Target angle value : 109

%=========================================%
Angle between C4'(center) and O4' and H4'

Center Atom : C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main sec C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

Atom2 : O4'
Its Hashing code 358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main section O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom3: H4'
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C[5]-4:
Its atom type main section H(C[5]C[5]O[5]C)
Its atom type full H(C[5]C[5]O[5]C)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 474
Find ha2 358
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C[5]
Found O[5]
Found H
Found 4:2:4:1:
Found 4:4:
Found 4:
Found C[5]-4:O[5]-2:C-4:H-1:
Found C[5]-4:C[5]-4:
Found C[5]-4:
Found C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Angle value 109
Angle siga 1.49
Number of observations  565
Approximation level 1
Finally the angle value is 109
It sig value is 1.49
Target angle value : 109

%=========================================%
Angle between O4'(center) and C1' and C4'

Center Atom : O4'
Its Hashing code  358
Its root atom symbol O[5]
Its codNB2Symb 4:4:
Its codNBSymb C[5]-4:C[5]-4:
Its atom type main sec O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Its atom type full O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}

Atom2 : C1'
Its Hashing code 474
Its root atom symbol C[5]
Its codNB2Symb 3:4:2:1:
Its codNBSymb N[5a]-3:C[5]-4:O[5]-2:H-1:
Its atom type main section C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Its atom type full C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}

Atom3: C4'
Its Hashing code  474
Its root atom symbol C[5]
Its codNB2Symb 4:2:4:1:
Its codNBSymb C[5]-4:O[5]-2:C-4:H-1:
Its atom type main section C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)
Its atom type full C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,1|O<2>,2|H<1>}

These 3 atoms are in a ring of size 5
The hybridization on three atoms is 5:SP3_SP3_SP3
Find ha1 358
Find ha2 474
Find ha3 474
Found 5:SP3_SP3_SP3
Found O[5]
Found C[5]
Found C[5]
Found 4:4:
Found 3:4:2:1:
Found 4:2:4:1:
Found C[5]-4:C[5]-4:
Found N[5a]-3:C[5]-4:O[5]-2:H-1:
Found C[5]-4:O[5]-2:C-4:H-1:
Found O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)
Found C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)
Angle value 109
Angle siga 1.33
Number of observations  89
Approximation level 1
Finally the angle value is 109
It sig value is 1.33
Target angle value : 109

%=========================================%
Angle between N4P(center) and C3P and C5P

Center Atom : N4P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : C3P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom3: C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 670
Find ha2 490
Find ha3 930
Found 0:SP2_SP2_SP3
Found N
Found C
Found C
Found 4:3:1:
Found 4:3:1:1:
Found 4:3:1:
Found C-4:C-3:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:N-3:O-1:
Found N(CCHH)(CCO)(H)
Found C(CHHS)(NCH)(H)2
Angle value 123
Angle siga 1.8
Number of observations  170
Approximation level 1
Finally the angle value is 123
It sig value is 1.8
Target angle value : 123

%=========================================%
Angle between N4P(center) and C3P and HN4P

Center Atom : N4P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : C3P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CHHS)(NCH)(H)2
Its atom type full C(CHHS)(NCH)(H)2

Atom3: HN4P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCC)
Its atom type full H(NCC)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP3
Find ha1 670
Find ha2 490
Find ha3 690
Found 0:SP2_SP-NON_SP3
Found N
Found C
Found H
Found 4:3:1:
Found 4:3:1:1:
Found 3:
Found C-4:C-3:H-1:
Found C-4:N-3:H-1:H-1:
Found N-3:
Found N(CCHH)(CCO)(H)
Found C(CHHS)(NCH)(H)2
Found H(NCC)
Angle value 118
Angle siga 1.83
Number of observations  732
Approximation level 1
Finally the angle value is 118
It sig value is 1.83
Target angle value : 118

%=========================================%
Angle between N4P(center) and HN4P and C5P

Center Atom : N4P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : HN4P
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCC)
Its atom type full H(NCC)

Atom3: C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 670
Find ha2 690
Find ha3 930
Found 0:SP2_SP-NON_SP2
Found N
Found H
Found C
Found 4:3:1:
Found 3:
Found 4:3:1:
Found C-4:C-3:H-1:
Found N-3:
Found C-4:N-3:O-1:
Found N(CCHH)(CCO)(H)
Found H(NCC)
Found C(CCHH)(NCH)(O)
Angle value 117
Angle siga 2.1
Number of observations  45
Approximation level 0
Finally the angle value is 117
It sig value is 2.1
Target angle value : 117

%=========================================%
Angle between C5P(center) and N4P and O5P

Center Atom : C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

Atom2 : N4P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: O5P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb C-3:
Its atom type main section O(CCN)
Its atom type full O(CCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP2
Find ha1 930
Find ha2 670
Find ha3 955
Found 0:SP2_SP2_SP2
Found C
Found N
Found O
Found 4:3:1:
Found 4:3:1:
Found 3:
Found C-4:N-3:O-1:
Found C-4:C-3:H-1:
Found C-3:
Found C(CCHH)(NCH)(O)
Found N(CCHH)(CCO)(H)
Found O(CCN)
Angle value 122
Angle siga 1.07
Number of observations  47
Approximation level 0
Finally the angle value is 122
It sig value is 1.07
Target angle value : 122

%=========================================%
Angle between C5P(center) and C6P and N4P

Center Atom : C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

Atom2 : C6P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main section C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom3: N4P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 930
Find ha2 490
Find ha3 670
Found 0:SP2_SP2_SP3
Found C
Found C
Found N
Found 4:3:1:
Found 4:3:1:1:
Found 4:3:1:
Found C-4:N-3:O-1:
Found C-4:C-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C(CCHH)(NCH)(O)
Found C(CHHN)(CNO)(H)2
Found N(CCHH)(CCO)(H)
Angle value 117
Angle siga 1.96
Number of observations  11
Approximation level 0
Finally the angle value is 117
It sig value is 1.96
Target angle value : 117

%=========================================%
Angle between C5P(center) and C6P and O5P

Center Atom : C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

Atom2 : C6P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main section C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom3: O5P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb C-3:
Its atom type main section O(CCN)
Its atom type full O(CCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 930
Find ha2 490
Find ha3 955
Found 0:SP2_SP2_SP3
Found C
Found C
Found O
Found 4:3:1:
Found 4:3:1:1:
Found 3:
Found C-4:N-3:O-1:
Found C-4:C-3:H-1:H-1:
Found C-3:
Found C(CCHH)(NCH)(O)
Found C(CHHN)(CNO)(H)2
Found O(CCN)
Angle value 121
Angle siga 0.946
Number of observations  26
Approximation level 0
Finally the angle value is 121
It sig value is 0.946
Target angle value : 121

%=========================================%
Angle between O6A(center) and CCP and P2A

Center Atom : O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main sec O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

Atom2 : CCP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main section C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom3: P2A
Its Hashing code  981
Its root atom symbol P
Its codNB2Symb 2:1:1:
Its codNBSymb O-2:O-1:O-1:
Its atom type main section P(OC)(O)2
Its atom type full P(OC)(O)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 960
Find ha2 490
Find ha3 981
Finally the angle value is 109
It sig value is 3
Target angle value : 109

%=========================================%
Angle between C6P(center) and C7P and C5P

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : C7P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom3: C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 490
Find ha2 490
Find ha3 930
Found 0:SP3_SP2_SP3
Found C
Found C
Found C
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:3:1:
Found C-4:C-3:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:N-3:O-1:
Found C(CHHN)(CNO)(H)2
Found C(CCHH)(NCH)(H)2
Found C(CCHH)(NCH)(O)
Angle value 112
Angle siga 2.79
Number of observations  10
Approximation level 0
Finally the angle value is 112
It sig value is 2.79
Target angle value : 112

%=========================================%
Angle between C6P(center) and H6P and C5P

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : H6P
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

Atom3: C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 690
Find ha3 930
Found 0:SP3_SP-NON_SP2
Found C
Found H
Found C
Found 4:3:1:1:
Found 4:
Found 4:3:1:
Found C-4:C-3:H-1:H-1:
Found C-4:
Found C-4:N-3:O-1:
Found C(CHHN)(CNO)(H)2
Found H(CCCH)
Found C(CCHH)(NCH)(O)
Angle value 109
Angle siga 0.987
Number of observations  51
Approximation level 0
Finally the angle value is 109
It sig value is 0.987
Target angle value : 109

%=========================================%
Angle between C6P(center) and H6PA and C5P

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : H6PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

Atom3: C5P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHH)(NCH)(O)
Its atom type full C(CCHH)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 690
Find ha3 930
Found 0:SP3_SP-NON_SP2
Found C
Found H
Found C
Found 4:3:1:1:
Found 4:
Found 4:3:1:
Found C-4:C-3:H-1:H-1:
Found C-4:
Found C-4:N-3:O-1:
Found C(CHHN)(CNO)(H)2
Found H(CCCH)
Found C(CCHH)(NCH)(O)
Angle value 109
Angle siga 0.987
Number of observations  51
Approximation level 0
Finally the angle value is 109
It sig value is 0.987
Target angle value : 109

%=========================================%
Angle between C6P(center) and C7P and H6P

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : C7P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom3: H6P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:C-3:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C(CHHN)(CNO)(H)2
Found C(CCHH)(NCH)(H)2
Found H(CCCH)
Angle value 109
Angle siga 0.941
Number of observations  31
Approximation level 0
Finally the angle value is 109
It sig value is 0.941
Target angle value : 109

%=========================================%
Angle between C6P(center) and C7P and H6PA

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : C7P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom3: H6PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:C-3:H-1:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C(CHHN)(CNO)(H)2
Found C(CCHH)(NCH)(H)2
Found H(CCCH)
Angle value 109
Angle siga 0.941
Number of observations  31
Approximation level 0
Finally the angle value is 109
It sig value is 0.941
Target angle value : 109

%=========================================%
Angle between C6P(center) and H6PA and H6P

Center Atom : C6P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main sec C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom2 : H6PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

Atom3: H6P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCH)
Its atom type full H(CCCH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:3:1:1:
Found 4:
Found 4:
Found C-4:C-3:H-1:H-1:
Found C-4:
Found C-4:
Found C(CHHN)(CNO)(H)2
Found H(CCCH)
Found H(CCCH)
Angle value 108
Angle siga 2.07
Number of observations  67
Approximation level 0
Finally the angle value is 108
It sig value is 2.07
Target angle value : 108

%=========================================%
Angle between C7P(center) and C6P and N8P

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : C6P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main section C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom3: N8P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 490
Find ha2 490
Find ha3 670
Found 0:SP3_SP2_SP3
Found C
Found C
Found N
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:3:1:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C(CCHH)(NCH)(H)2
Found C(CHHN)(CNO)(H)2
Found N(CCHH)(CCO)(H)
Angle value 112
Angle siga 1.08
Number of observations  21
Approximation level 1
Finally the angle value is 112
It sig value is 1.08
Target angle value : 112

%=========================================%
Angle between C7P(center) and C6P and H7P

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : C6P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main section C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom3: H7P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:H-1:
Found C-4:
Found C(CCHH)(NCH)(H)2
Found C(CHHN)(CNO)(H)2
Found H(CCHN)
Angle value 109
Angle siga 0.941
Number of observations  32
Approximation level 0
Finally the angle value is 109
It sig value is 0.941
Target angle value : 109

%=========================================%
Angle between C7P(center) and C6P and H7PA

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : C6P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:C-3:H-1:H-1:
Its atom type main section C(CHHN)(CNO)(H)2
Its atom type full C(CHHN)(CNO)(H)2

Atom3: H7PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:1:1:
Found 4:3:1:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:H-1:
Found C-4:
Found C(CCHH)(NCH)(H)2
Found C(CHHN)(CNO)(H)2
Found H(CCHN)
Angle value 109
Angle siga 0.941
Number of observations  32
Approximation level 0
Finally the angle value is 109
It sig value is 0.941
Target angle value : 109

%=========================================%
Angle between C7P(center) and N8P and H7P

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : N8P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: H7P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP2
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:3:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C-4:
Found C(CCHH)(NCH)(H)2
Found N(CCHH)(CCO)(H)
Found H(CCHN)
Angle value 109
Angle siga 1.07
Number of observations  173
Approximation level 0
Finally the angle value is 109
It sig value is 1.07
Target angle value : 109

%=========================================%
Angle between C7P(center) and N8P and H7PA

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : N8P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: H7PA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 670
Find ha3 690
Found 0:SP3_SP-NON_SP2
Found C
Found N
Found H
Found 4:3:1:1:
Found 4:3:1:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:C-3:H-1:
Found C-4:
Found C(CCHH)(NCH)(H)2
Found N(CCHH)(CCO)(H)
Found H(CCHN)
Angle value 109
Angle siga 1.07
Number of observations  173
Approximation level 0
Finally the angle value is 109
It sig value is 1.07
Target angle value : 109

%=========================================%
Angle between C7P(center) and H7PA and H7P

Center Atom : C7P
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main sec C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom2 : H7PA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

Atom3: H7P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHN)
Its atom type full H(CCHN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:3:1:1:
Found 4:
Found 4:
Found C-4:N-3:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCHH)(NCH)(H)2
Found H(CCHN)
Found H(CCHN)
Angle value 108
Angle siga 1.34
Number of observations  581
Approximation level 0
Finally the angle value is 108
It sig value is 1.34
Target angle value : 108

%=========================================%
Angle between N8P(center) and C7P and C9P

Center Atom : N8P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : C7P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom3: C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 670
Find ha2 490
Find ha3 930
Found 0:SP2_SP2_SP3
Found N
Found C
Found C
Found 4:3:1:
Found 4:3:1:1:
Found 4:3:1:
Found C-4:C-3:H-1:
Found C-4:N-3:H-1:H-1:
Found C-4:N-3:O-1:
Found N(CCHH)(CCO)(H)
Found C(CCHH)(NCH)(H)2
Angle value 123
Angle siga 1.8
Number of observations  170
Approximation level 1
Finally the angle value is 123
It sig value is 1.8
Target angle value : 123

%=========================================%
Angle between N8P(center) and C7P and HN8P

Center Atom : N8P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : C7P
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:1:1:
Its codNBSymb C-4:N-3:H-1:H-1:
Its atom type main section C(CCHH)(NCH)(H)2
Its atom type full C(CCHH)(NCH)(H)2

Atom3: HN8P
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCC)
Its atom type full H(NCC)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP3
Find ha1 670
Find ha2 490
Find ha3 690
Found 0:SP2_SP-NON_SP3
Found N
Found C
Found H
Found 4:3:1:
Found 4:3:1:1:
Found 3:
Found C-4:C-3:H-1:
Found C-4:N-3:H-1:H-1:
Found N-3:
Found N(CCHH)(CCO)(H)
Found C(CCHH)(NCH)(H)2
Found H(NCC)
Angle value 118
Angle siga 1.9
Number of observations  87
Approximation level 0
Finally the angle value is 118
It sig value is 1.9
Target angle value : 118

%=========================================%
Angle between N8P(center) and HN8P and C9P

Center Atom : N8P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main sec N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom2 : HN8P
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 3:
Its codNBSymb N-3:
Its atom type main section H(NCC)
Its atom type full H(NCC)

Atom3: C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP-NON_SP2
Find ha1 670
Find ha2 690
Find ha3 930
Found 0:SP2_SP-NON_SP2
Found N
Found H
Found C
Found 4:3:1:
Found 3:
Found 4:3:1:
Found C-4:C-3:H-1:
Found N-3:
Found C-4:N-3:O-1:
Found N(CCHH)(CCO)(H)
Found H(NCC)
Angle value 119
Angle siga 1.94
Number of observations  1049
Approximation level 1
Finally the angle value is 119
It sig value is 1.94
Target angle value : 119

%=========================================%
Angle between C9P(center) and N8P and O9P

Center Atom : C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

Atom2 : N8P
Its Hashing code 670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

Atom3: O9P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb C-3:
Its atom type main section O(CCN)
Its atom type full O(CCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP2
Find ha1 930
Find ha2 670
Find ha3 955
Found 0:SP2_SP2_SP2
Found C
Found N
Found O
Found 4:3:1:
Found 4:3:1:
Found 3:
Found C-4:N-3:O-1:
Found C-4:C-3:H-1:
Found C-3:
Found C(CCHO)(NCH)(O)
Angle value 123
Angle siga 1.3
Number of observations  1066
Approximation level 1
Finally the angle value is 123
It sig value is 1.3
Target angle value : 123

%=========================================%
Angle between C9P(center) and CAP and N8P

Center Atom : C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: N8P
Its Hashing code  670
Its root atom symbol N
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:C-3:H-1:
Its atom type main section N(CCHH)(CCO)(H)
Its atom type full N(CCHH)(CCO)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 930
Find ha2 490
Find ha3 670
Found 0:SP2_SP2_SP3
Found C
Found C
Found N
Found 4:3:1:
Found 4:3:2:1:
Found 4:3:1:
Found C-4:N-3:O-1:
Found C-4:C-3:O-2:H-1:
Found C-4:C-3:H-1:
Found C(CCHO)(NCH)(O)
Angle value 117
Angle siga 1.19
Number of observations  7
Approximation level 1
Finally the angle value is 117
It sig value is 1.19
Target angle value : 117

%=========================================%
Angle between C9P(center) and CAP and O9P

Center Atom : C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main sec C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: O9P
Its Hashing code  955
Its root atom symbol O
Its codNB2Symb 3:
Its codNBSymb C-3:
Its atom type main section O(CCN)
Its atom type full O(CCN)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP2_SP2_SP3
Find ha1 930
Find ha2 490
Find ha3 955
Found 0:SP2_SP2_SP3
Found C
Found C
Found O
Found 4:3:1:
Found 4:3:2:1:
Found 3:
Found C-4:N-3:O-1:
Found C-4:C-3:O-2:H-1:
Found C-3:
Found C(CCHO)(NCH)(O)
Angle value 120
Angle siga 1.78
Number of observations  33
Approximation level 1
Finally the angle value is 120
It sig value is 1.78
Target angle value : 120

%=========================================%
Angle between CAP(center) and C9P and OAP

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : C9P
Its Hashing code 930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

Atom3: OAP
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C-4:H-1:
Its atom type main section O(CCCH)(H)
Its atom type full O(CCCH)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 490
Find ha2 930
Find ha3 960
Found 0:SP3_SP2_SP3
Found C
Found C
Found O
Found 4:3:2:1:
Found 4:3:1:
Found 4:1:
Found C-4:C-3:O-2:H-1:
Found C-4:N-3:O-1:
Found C-4:H-1:
Angle value 110
Angle siga 1.55
Number of observations  12
Approximation level 1
Finally the angle value is 110
It sig value is 1.55
Target angle value : 110

%=========================================%
Angle between CAP(center) and CBP and C9P

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP2_SP3
Find ha1 490
Find ha2 490
Find ha3 930
Found 0:SP3_SP2_SP3
Found C
Found C
Found C
Found 4:3:2:1:
Found 4:4:4:4:
Angle value 112
Angle siga 2.91
Number of observations  15049
Approximation level 3
Finally the angle value is 112
It sig value is 2.91
Target angle value : 112

%=========================================%
Angle between CAP(center) and HAP and C9P

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : HAP
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCO)
Its atom type full H(CCCO)

Atom3: C9P
Its Hashing code  930
Its root atom symbol C
Its codNB2Symb 4:3:1:
Its codNBSymb C-4:N-3:O-1:
Its atom type main section C(CCHO)(NCH)(O)
Its atom type full C(CCHO)(NCH)(O)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP2
Find ha1 490
Find ha2 690
Find ha3 930
Found 0:SP3_SP-NON_SP2
Found C
Found H
Found C
Found 4:3:2:1:
Found 4:
Found 4:3:1:
Found C-4:C-3:O-2:H-1:
Found C-4:
Found C-4:N-3:O-1:
Angle value 109
Angle siga 1.7
Number of observations  33
Approximation level 1
Finally the angle value is 109
It sig value is 1.7
Target angle value : 109

%=========================================%
Angle between CAP(center) and CBP and OAP

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: OAP
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C-4:H-1:
Its atom type main section O(CCCH)(H)
Its atom type full O(CCCH)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 960
Found 0:SP3_SP3_SP3
Found C
Found C
Found O
Found 4:3:2:1:
Found 4:4:4:4:
Found 4:1:
Found C-4:C-3:O-2:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:H-1:
Angle value 112
Angle siga 0.56
Number of observations  2
Approximation level 1
Angle value 112
Angle siga 0.56
Number of observations  2
Approximation level 2
Angle value 109
Angle siga 3.04
Number of observations  14800
Approximation level 3
Finally the angle value is 109
It sig value is 3.04
Target angle value : 109

%=========================================%
Angle between CAP(center) and HAP and OAP

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : HAP
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCO)
Its atom type full H(CCCO)

Atom3: OAP
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C-4:H-1:
Its atom type main section O(CCCH)(H)
Its atom type full O(CCCH)(H)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 960
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found O
Found 4:3:2:1:
Found 4:
Found 4:1:
Found C-4:C-3:O-2:H-1:
Found C-4:
Found C-4:H-1:
Angle value 109
Angle siga 1.44
Number of observations  528
Approximation level 1
Finally the angle value is 109
It sig value is 1.44
Target angle value : 109

%=========================================%
Angle between CAP(center) and CBP and HAP

Center Atom : CAP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main sec C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HAP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCCO)
Its atom type full H(CCCO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:3:2:1:
Found 4:4:4:4:
Found 4:
Found C-4:C-3:O-2:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Angle value 108
Angle siga 0.936
Number of observations  6
Approximation level 1
Finally the angle value is 108
It sig value is 0.936
Target angle value : 108

%=========================================%
Angle between OAP(center) and CAP and HOAP

Center Atom : OAP
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:1:
Its codNBSymb C-4:H-1:
Its atom type main sec O(CCCH)(H)
Its atom type full O(CCCH)(H)

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: HOAP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 2:
Its codNBSymb O-2:
Its atom type main section H(OC)
Its atom type full H(OC)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 960
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found O
Found C
Found H
Found 4:1:
Found 4:3:2:1:
Found 2:
Found C-4:H-1:
Found C-4:C-3:O-2:H-1:
Found O-2:
Found O(CCCH)(H)
Angle value 109
Angle siga 3.23
Number of observations  506
Approximation level 1
Finally the angle value is 109
It sig value is 3.23
Target angle value : 109

%=========================================%
Angle between CBP(center) and CAP and CCP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main section C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:3:2:1:
Angle value 111
Angle siga 2.85
Number of observations  98586
Approximation level 3
Finally the angle value is 111
It sig value is 2.85
Target angle value : 111

%=========================================%
Angle between CBP(center) and CAP and CDP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:3:2:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:C-4:
Found C-4:C-3:O-2:H-1:
Found C-4:H-1:H-1:H-1:
Angle value 110
Angle siga 1.52
Number of observations  16
Approximation level 1
Finally the angle value is 110
It sig value is 1.52
Target angle value : 110

%=========================================%
Angle between CBP(center) and CAP and CEP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CAP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:3:2:1:
Its codNBSymb C-4:C-3:O-2:H-1:
Its atom type main section C(CC3)(CNO)(OH)(H)
Its atom type full C(CC3)(CNO)(OH)(H)

Atom3: CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:3:2:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:C-4:
Found C-4:C-3:O-2:H-1:
Found C-4:H-1:H-1:H-1:
Angle value 110
Angle siga 1.52
Number of observations  16
Approximation level 1
Finally the angle value is 110
It sig value is 1.52
Target angle value : 110

%=========================================%
Angle between CBP(center) and CCP and CDP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CCP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main section C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom3: CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:2:1:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:C-4:
Found C-4:O-2:H-1:H-1:
Found C-4:H-1:H-1:H-1:
Angle value 109
Angle siga 1.44
Number of observations  128
Approximation level 1
Finally the angle value is 109
It sig value is 1.44
Target angle value : 109

%=========================================%
Angle between CBP(center) and CCP and CEP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CCP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main section C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom3: CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:2:1:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:C-4:
Found C-4:O-2:H-1:H-1:
Found C-4:H-1:H-1:H-1:
Angle value 109
Angle siga 1.44
Number of observations  128
Approximation level 1
Finally the angle value is 109
It sig value is 1.44
Target angle value : 109

%=========================================%
Angle between CBP(center) and CEP and CDP

Center Atom : CBP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main sec C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom2 : CEP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom3: CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main section C(CC3)(H)3
Its atom type full C(CC3)(H)3

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 490
Found 0:SP3_SP3_SP3
Found C
Found C
Found C
Found 4:4:4:4:
Found 4:1:1:1:
Found 4:1:1:1:
Found C-4:C-4:C-4:C-4:
Found C-4:H-1:H-1:H-1:
Found C-4:H-1:H-1:H-1:
Angle value 109
Angle siga 1.39
Number of observations  2161
Approximation level 1
Finally the angle value is 109
It sig value is 1.39
Target angle value : 109

%=========================================%
Angle between CCP(center) and CBP and O6A

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main section O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP3_SP3
Find ha1 490
Find ha2 490
Find ha3 960
Found 0:SP3_SP3_SP3
Found C
Found C
Found O
Found 4:2:1:1:
Found 4:4:4:4:
Angle value 109
Angle siga 3.04
Number of observations  14800
Approximation level 3
Finally the angle value is 109
It sig value is 3.04
Target angle value : 109

%=========================================%
Angle between CCP(center) and HCP and O6A

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : HCP
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

Atom3: O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main section O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 960
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found O
Found 4:2:1:1:
Found 4:
Found 4:3:
Found C-4:O-2:H-1:H-1:
Found C-4:
Angle value 109
Angle siga 0.973
Number of observations  151
Approximation level 2
Finally the angle value is 109
It sig value is 0.973
Target angle value : 109

%=========================================%
Angle between CCP(center) and HCPA and O6A

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : HCPA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

Atom3: O6A
Its Hashing code  960
Its root atom symbol O
Its codNB2Symb 4:3:
Its codNBSymb C-4:P-3:
Its atom type main section O(CCHH)(POO)
Its atom type full O(CCHH)(POO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 690
Find ha3 960
Found 0:SP3_SP-NON_SP3
Found C
Found H
Found O
Found 4:2:1:1:
Found 4:
Found 4:3:
Found C-4:O-2:H-1:H-1:
Found C-4:
Angle value 109
Angle siga 0.973
Number of observations  151
Approximation level 2
Finally the angle value is 109
It sig value is 0.973
Target angle value : 109

%=========================================%
Angle between CCP(center) and CBP and HCP

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HCP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:2:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:O-2:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(OP)(H)2
Angle value 109
Angle siga 0.873
Number of observations  127
Approximation level 1
Finally the angle value is 109
It sig value is 0.873
Target angle value : 109

%=========================================%
Angle between CCP(center) and CBP and HCPA

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HCPA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:2:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:O-2:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(OP)(H)2
Angle value 109
Angle siga 0.873
Number of observations  127
Approximation level 1
Finally the angle value is 109
It sig value is 0.873
Target angle value : 109

%=========================================%
Angle between CCP(center) and HCPA and HCP

Center Atom : CCP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:2:1:1:
Its codNBSymb C-4:O-2:H-1:H-1:
Its atom type main sec C(CC3)(OP)(H)2
Its atom type full C(CC3)(OP)(H)2

Atom2 : HCPA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

Atom3: HCP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHO)
Its atom type full H(CCHO)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:2:1:1:
Found 4:
Found 4:
Found C-4:O-2:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(OP)(H)2
Found H(CCHO)
Found H(CCHO)
Angle value 108
Angle siga 0.097
Number of observations  5
Approximation level 0
Finally the angle value is 108
It sig value is 0.097
Target angle value : 108

%=========================================%
Angle between CDP(center) and CBP and HDP

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HDP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CDP(center) and CBP and HDPA

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HDPA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CDP(center) and CBP and HDPB

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HDPB
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CDP(center) and HDPA and HDP

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HDPA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HDP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CDP(center) and HDPB and HDP

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HDPB
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HDP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CDP(center) and HDPB and HDPA

Center Atom : CDP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HDPB
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HDPA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CEP(center) and CBP and HEP

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HEP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CEP(center) and CBP and HEPA

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HEPA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CEP(center) and CBP and HEPB

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : CBP
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:4:
Its codNBSymb C-4:C-4:C-4:C-4:
Its atom type main section C(CCHO)(CHHO)(CH3)2
Its atom type full C(CCHO)(CHHO)(CH3)2

Atom3: HEPB
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:C-4:
Found C-4:
Found C(CC3)(H)3
Angle value 110
Angle siga 0.744
Number of observations  5670
Approximation level 1
Finally the angle value is 110
It sig value is 0.744
Target angle value : 110

%=========================================%
Angle between CEP(center) and HEPA and HEP

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HEPA
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HEP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CEP(center) and HEPB and HEP

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HEPB
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HEP
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CEP(center) and HEPB and HEPA

Center Atom : CEP
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CC3)(H)3
Its atom type full C(CC3)(H)3

Atom2 : HEPB
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HEPA
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CC3)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 1.03
Number of observations  12862
Approximation level 0
Finally the angle value is 109
It sig value is 1.03
Target angle value : 109

%=========================================%
Angle between CG1(center) and CB and HG1

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG1(center) and CB and HG1A

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG1A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG1(center) and CB and HG1B

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG1B
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG1(center) and HG1A and HG1

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG1A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109

%=========================================%
Angle between CG1(center) and HG1B and HG1

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG1B
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG1
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109

%=========================================%
Angle between CG1(center) and HG1B and HG1A

Center Atom : CG1
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG1B
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG1A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109

%=========================================%
Angle between CG2(center) and CB and HG2

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG2(center) and CB and HG2A

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG2A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG2(center) and CB and HG2B

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : CB
Its Hashing code 490
Its root atom symbol C
Its codNB2Symb 4:4:4:1:
Its codNBSymb C-4:C-4:C-4:H-1:
Its atom type main section C(CCHN)(CH3)2(H)
Its atom type full C(CCHN)(CH3)2(H)

Atom3: HG2B
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP3
Find ha1 490
Find ha2 490
Find ha3 690
Found 0:SP3_SP-NON_SP3
Found C
Found C
Found H
Found 4:1:1:1:
Found 4:4:4:1:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:C-4:C-4:H-1:
Found C-4:
Found C(CCCH)(H)3
Found C(CCHN)(CH3)2(H)
Found H(CCHH)
Angle value 110
Angle siga 0.545
Number of observations  1155
Approximation level 0
Finally the angle value is 110
It sig value is 0.545
Target angle value : 110

%=========================================%
Angle between CG2(center) and HG2A and HG2

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG2A
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109

%=========================================%
Angle between CG2(center) and HG2B and HG2

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG2B
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG2
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109

%=========================================%
Angle between CG2(center) and HG2B and HG2A

Center Atom : CG2
Its Hashing code  490
Its root atom symbol C
Its codNB2Symb 4:1:1:1:
Its codNBSymb C-4:H-1:H-1:H-1:
Its atom type main sec C(CCCH)(H)3
Its atom type full C(CCCH)(H)3

Atom2 : HG2B
Its Hashing code 690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

Atom3: HG2A
Its Hashing code  690
Its root atom symbol H
Its codNB2Symb 4:
Its codNBSymb C-4:
Its atom type main section H(CCHH)
Its atom type full H(CCHH)

These 3 atoms are in a ring of size 0
The hybridization on three atoms is 0:SP3_SP-NON_SP-NON
Find ha1 490
Find ha2 690
Find ha3 690
Found 0:SP3_SP-NON_SP-NON
Found C
Found H
Found H
Found 4:1:1:1:
Found 4:
Found 4:
Found C-4:H-1:H-1:H-1:
Found C-4:
Found C-4:
Found C(CCCH)(H)3
Found H(CCHH)
Found H(CCHH)
Angle value 109
Angle siga 0.939
Number of observations  8515
Approximation level 0
Finally the angle value is 109
It sig value is 0.939
Target angle value : 109
There are 3 rings 
These are: 
Ring 10_12_13_14_4_6.
Ring size:  6
Atom N1
Atom C2
Atom N3
Atom C4
Atom C5
Atom C6
Angle between N1(center) and C2 and C6 value: 119
Angle between C2(center) and N1 and N3 value: 129
Angle between N3(center) and C2 and C4 value: 111
Angle between C4(center) and N3 and C5 value: 126
Angle between C5(center) and C4 and C6 value: 117
Angle between C6(center) and N1 and C5 value: 117
Sum for the values of all internal angles 720
Ring 12_13_16_17_18.
Ring size:  5
Atom C4
Atom C5
Atom N7
Atom C8
Atom N9
Ring 21_23_27_30_31.
Ring size:  5
Atom C1'
Atom C2'
Atom C3'
Atom C4'
Atom O4'
Search target angles finished at Wed Mar 30 21:42:52 2022
it takes 0 to search for all target angles 
Finish searching angles 
Number of torsions is 9
Number of torsions is 3
Number of torsions is 9
Number of torsions is 2
Number of torsions is 4
Number of torsions is 4
Number of torsions is 4
Number of torsions is 2
Number of torsions is 4
Number of torsions is 2
Number of torsions is 4
Number of torsions is 6
Number of torsions is 9
Number of torsions is 6
Number of torsions is 6
Number of torsions is 9
Number of torsions is 9
Number of torsions is 9
Number of torsions is 3
Number of torsions is 3
Number of torsions is 9
Number of torsions is 2
Number of torsions is 9
Number of torsions is 9
Number of torsions is 6
Number of torsions is 9
Number of torsions is 3
Number of torsions is 4
Number of torsions is 6
Number of torsions is 3
Number of torsions is 9
Number of torsions is 6
Number of torsions is 4
Number of torsions is 6
Number of torsions is 3
Number of torsions is 9
Number of torsions is 9
Number of torsions is 9
Number of torsions is 9
Number of torsions is 2
Number of torsions is 2
Number of torsions is 3
Number of torsions is 2
Number of torsions is 6
Number of torsions is 3
Number of torsions is 9
Total number of torsions is 258
Number of torsions in the mini-set 46
The torsion selected for the bond of atom C and CA
 is 180
The other two atoms are atom C1 and N2
The torsion selected for the bond of atom C and S1P
 is 180
The other two atoms are atom C1 and C2P
The torsion selected for the bond of atom C and C1
 is 180
The other two atoms are atom CA and S
The torsion selected for the bond of atom C4 and N3
 is 0
The other two atoms are atom C5 and C2
The torsion selected for the bond of atom C4 and C5
 is 0
The other two atoms are atom N3 and C6
The torsion selected for the bond of atom C4 and N9
 is 180
The other two atoms are atom N3 and C8
The torsion selected for the bond of atom C5 and C6
 is 180
The other two atoms are atom C4 and N6
The torsion selected for the bond of atom C5 and N7
 is 0
The other two atoms are atom C4 and C8
The torsion selected for the bond of atom C6 and N6
 is 0
The other two atoms are atom N1 and HN6
The torsion selected for the bond of atom C8 and N7
 is 0
The other two atoms are atom N9 and C5
The torsion selected for the bond of atom C8 and N9
 is 0
The other two atoms are atom N7 and C4
The torsion selected for the bond of atom N9 and C1'
 is 150
The other two atoms are atom C4 and C2'
The torsion selected for the bond of atom CA and CB
 is -60
The other two atoms are atom C and CG1
The torsion selected for the bond of atom N and S
 is -60
The other two atoms are atom C3 and C1
The torsion selected for the bond of atom C3 and N
 is 180
The other two atoms are atom C4' and S
The torsion selected for the bond of atom CB and CG1
 is 180
The other two atoms are atom CA and HG1
The torsion selected for the bond of atom CB and CG2
 is 60
The other two atoms are atom CA and HG2
The torsion selected for the bond of atom C1' and C2'
 is 60
The other two atoms are atom N9 and O2
The torsion selected for the bond of atom C1' and O4'
 is 60
The other two atoms are atom N9 and C4'
The torsion selected for the bond of atom C2P and S1P
 is 180
The other two atoms are atom C3P and C
The torsion selected for the bond of atom C2' and C3'
 is -60
The other two atoms are atom O2 and O1
The torsion selected for the bond of atom O6A and P2A
 is 180
The other two atoms are atom CCP and O3
The torsion selected for the bond of atom C2P and C3P
 is 180
The other two atoms are atom S1P and N4P
The torsion selected for the bond of atom C3' and C4'
 is 60
The other two atoms are atom O1 and C3
The torsion selected for the bond of atom N4P and C3P
 is 120
The other two atoms are atom C5P and C2P
The torsion selected for the bond of atom C1 and S
 is 60
The other two atoms are atom C and N
The torsion selected for the bond of atom C4' and O4'
 is 180
The other two atoms are atom C3 and C1'
The torsion selected for the bond of atom C5P and N4P
 is 0
The other two atoms are atom O5P and C3P
The torsion selected for the bond of atom C5P and C6P
 is 120
The other two atoms are atom N4P and C7P
The torsion selected for the bond of atom CCP and O6A
 is 180
The other two atoms are atom CBP and P2A
The torsion selected for the bond of atom C6P and C7P
 is 180
The other two atoms are atom C5P and N8P
The torsion selected for the bond of atom N8P and C7P
 is 120
The other two atoms are atom C9P and C6P
The torsion selected for the bond of atom C9P and N8P
 is 0
The other two atoms are atom O9P and C7P
The torsion selected for the bond of atom C9P and CAP
 is 0
The other two atoms are atom N8P and OAP
The torsion selected for the bond of atom CAP and OAP
 is 180
The other two atoms are atom C9P and HOAP
The torsion selected for the bond of atom CAP and CBP
 is -60
The other two atoms are atom C9P and CCP
The torsion selected for the bond of atom CBP and CCP
 is 180
The other two atoms are atom CAP and O6A
The torsion selected for the bond of atom CBP and CDP
 is 60
The other two atoms are atom CAP and HDP
The torsion selected for the bond of atom CBP and CEP
 is 180
The other two atoms are atom CAP and HEP
The torsion selected for the bond of atom C6 and N1
 is 180
The other two atoms are atom N6 and C2
The torsion selected for the bond of atom C2 and N1
 is 0
The other two atoms are atom N3 and C6
The torsion selected for the bond of atom C3' and O1
 is 180
The other two atoms are atom C2' and HO1
The torsion selected for the bond of atom C2 and N3
 is 0
The other two atoms are atom N1 and C4
The torsion selected for the bond of atom CA and N2
 is 180
The other two atoms are atom C and HN2
The torsion selected for the bond of atom C2' and O2
 is 180
The other two atoms are atom C1' and HO2
The torsion selected for the bond of atom C3 and C4'
 is 180
The other two atoms are atom N and C3'
Originally the system has 258
Number of torsions from cod section 258
The ring consist of : 
atom C1'
atom C2'
atom C3'
atom C4'
atom O4'
Atom O4' is done 
atom O4' is done
atom O4' is done
(OC2) is added 
For atom C1'
Its connected atom are 
atom N9
atom C2'
atom O4'
atom H1'
For atom C4'
Its connected atom are 
atom C3
atom C3'
atom O4'
atom H4'
ASrStr is (OC2)
One Planar Ring! It contains 6 atoms. They are : 
Atom N1 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N1
bond idx 2
Atom N1 its charge 0
 add 1 pi atoms
Atom C2 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C2
bond idx 2
Atom C2 its charge 0
 add 1 pi atoms
Atom N3 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N3
bond idx 2
Atom N3 its charge 0
 add 1 pi atoms
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom C6 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C6
bond idx 2
Atom C6 its charge 0
 add 1 pi atoms
One Planar Ring! It contains 5 atoms. They are : 
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom N7 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N7
bond idx 2
Atom N7 its charge 0
 add 1 pi atoms
Atom C8 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C8
bond idx 2
Atom C8 its charge 0
 add 1 pi atoms
Atom N9 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N9
bond idx 3
Atom N9 its charge 0
 add 2 pi atoms
number of Merged planar rings : 1
A merged system contains 2 rings. They are:  
The Ring with atoms 
N1
C2
N3
C4
C5
C6
The Ring with atoms 
C4
C5
N7
C8
N9
Atom N1 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N1
bond idx 2
Atom N1 its charge 0
 add 1 pi atoms
Atom C2 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C2
bond idx 2
Atom C2 its charge 0
 add 1 pi atoms
Atom N3 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N3
bond idx 2
Atom N3 its charge 0
 add 1 pi atoms
Atom C4 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C4
bond idx 2
Atom C4 its charge 0
 add 1 pi atoms
Atom C5 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C5
bond idx 2
Atom C5 its charge 0
 add 1 pi atoms
Atom C6 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C6
bond idx 2
Atom C6 its charge 0
 add 1 pi atoms
Atom N7 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N7
bond idx 2
Atom N7 its charge 0
 add 1 pi atoms
Atom C8 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom C8
bond idx 2
Atom C8 its charge 0
 add 1 pi atoms
Atom N9 its charge 0
 add 0 pi atoms
Here charge is 0
formalCharge is 0
atom N9
bond idx 3
Atom N9 its charge 0
 add 2 pi atoms
It is an aromatic system
Add a plane from merged ring system 
It includes ring 0
added atom N1
add atom C2
add atom C6
added atom C2
add atom N3
add atom H2
added atom N3
add atom C4
added atom C4
add atom C5
add atom N9
added atom C5
add atom N7
added atom C6
add atom N6
It includes ring 1
added atom C4
added atom C5
added atom N7
add atom C8
added atom C8
add atom H8
added atom N9
add atom C1'
HERE 
Bond between atom C and C1
Bond between atom C and CA
Bond between atom C and S1P
Bond between atom N and S
Bond between atom N and C3
Bond between atom S and C1
Bond between atom S and O2P
Bond between atom S and O3P
Bond between atom N1 and C2
Bond between atom N1 and C6
Bond between atom O1 and C3'
Bond between atom C2 and N3
Bond between atom N2 and CA
Bond between atom O2 and C2'
Bond between atom C3 and C4'
Bond between atom N3 and C4
Bond between atom O3 and P2A
Bond between atom C4 and C5
Bond between atom C4 and N9
Bond between atom C5 and C6
Bond between atom C5 and N7
Bond between atom C6 and N6
Bond between atom N7 and C8
Bond between atom C8 and N9
Bond between atom N9 and C1'
Bond between atom CA and CB
Bond between atom CB and CG1
Bond between atom CB and CG2
Bond between atom C1' and C2'
Bond between atom C1' and O4'
Bond between atom S1P and C2P
Bond between atom C2' and C3'
Bond between atom P2A and O4A
Bond between atom P2A and O6A
Bond between atom C2P and C3P
Bond between atom C3' and C4'
Bond between atom C3P and N4P
Bond between atom C4' and O4'
Bond between atom N4P and C5P
Bond between atom C5P and O5P
Bond between atom C5P and C6P
Bond between atom O6A and CCP
Bond between atom C6P and C7P
Bond between atom C7P and N8P
Bond between atom N8P and C9P
Bond between atom C9P and O9P
Bond between atom C9P and CAP
Bond between atom CAP and OAP
Bond between atom CAP and CBP
Bond between atom CBP and CCP
Bond between atom CBP and CDP
Bond between atom CBP and CEP
Bond between atom C and H
Bond between atom N and HN
Bond between atom C1 and H1
Bond between atom C1 and H1A
Bond between atom O1 and HO1
Bond between atom C2 and H2
Bond between atom N2 and HN2
Bond between atom N2 and HN2A
Bond between atom O2 and HO2
Bond between atom C3 and H3
Bond between atom C3 and H3A
Bond between atom N6 and HN6
Bond between atom N6 and HN6A
Bond between atom C8 and H8
Bond between atom CA and HA
Bond between atom CB and HB
Bond between atom C1' and H1'
Bond between atom C2' and H2'
Bond between atom C2P and H2P
Bond between atom C2P and H2PA
Bond between atom C3' and H3'
Bond between atom C3P and H3P
Bond between atom C3P and H3PA
Bond between atom C4' and H4'
Bond between atom N4P and HN4P
Bond between atom C6P and H6P
Bond between atom C6P and H6PA
Bond between atom C7P and H7P
Bond between atom C7P and H7PA
Bond between atom N8P and HN8P
Bond between atom CAP and HAP
Bond between atom OAP and HOAP
Bond between atom CCP and HCP
Bond between atom CCP and HCPA
Bond between atom CDP and HDP
Bond between atom CDP and HDPA
Bond between atom CDP and HDPB
Bond between atom CEP and HEP
Bond between atom CEP and HEPA
Bond between atom CEP and HEPB
Bond between atom CG1 and HG1
Bond between atom CG1 and HG1A
Bond between atom CG1 and HG1B
Bond between atom CG2 and HG2
Bond between atom CG2 and HG2A
Bond between atom CG2 and HG2B
atom C has charge of 0
atom N has charge of 0
atom S has charge of 0
atom C1 has charge of 0
atom N1 has charge of 0
atom O1 has charge of 0
atom C2 has charge of 0
atom N2 has charge of 0
atom O2 has charge of 0
atom C3 has charge of 0
atom N3 has charge of 0
atom O3 has charge of -1
atom C4 has charge of 0
atom C5 has charge of 0
atom C6 has charge of 0
atom N6 has charge of 0
atom N7 has charge of 0
atom C8 has charge of 0
atom N9 has charge of 0
atom CA has charge of 0
atom CB has charge of 0
atom C1' has charge of 0
atom S1P has charge of 0
atom C2' has charge of 0
atom P2A has charge of 1
atom C2P has charge of 0
atom O2P has charge of 0
atom C3' has charge of 0
atom C3P has charge of 0
atom O3P has charge of 0
atom C4' has charge of 0
atom O4' has charge of 0
atom O4A has charge of 0
atom N4P has charge of 0
atom C5P has charge of 0
atom O5P has charge of 0
atom O6A has charge of 0
atom C6P has charge of 0
atom C7P has charge of 0
atom N8P has charge of 0
atom C9P has charge of 0
atom O9P has charge of 0
atom CAP has charge of 0
atom OAP has charge of 0
atom CBP has charge of 0
atom CCP has charge of 0
atom CDP has charge of 0
atom CEP has charge of 0
atom CG1 has charge of 0
atom CG2 has charge of 0
atom H has charge of 0
atom HN has charge of 0
atom H1 has charge of 0
atom H1A has charge of 0
atom HO1 has charge of 0
atom H2 has charge of 0
atom HN2 has charge of 0
atom HN2A has charge of 0
atom HO2 has charge of 0
atom H3 has charge of 0
atom H3A has charge of 0
atom HN6 has charge of 0
atom HN6A has charge of 0
atom H8 has charge of 0
atom HA has charge of 0
atom HB has charge of 0
atom H1' has charge of 0
atom H2' has charge of 0
atom H2P has charge of 0
atom H2PA has charge of 0
atom H3' has charge of 0
atom H3P has charge of 0
atom H3PA has charge of 0
atom H4' has charge of 0
atom HN4P has charge of 0
atom H6P has charge of 0
atom H6PA has charge of 0
atom H7P has charge of 0
atom H7PA has charge of 0
atom HN8P has charge of 0
atom HAP has charge of 0
atom HOAP has charge of 0
atom HCP has charge of 0
atom HCPA has charge of 0
atom HDP has charge of 0
atom HDPA has charge of 0
atom HDPB has charge of 0
atom HEP has charge of 0
atom HEPA has charge of 0
atom HEPB has charge of 0
atom HG1 has charge of 0
atom HG1A has charge of 0
atom HG1B has charge of 0
atom HG2 has charge of 0
atom HG2A has charge of 0
atom HG2B has charge of 0
a all SP2 ring C2C4C5C6N1N3
Atom 0 of C is  a C atom 
Atom 1 of N is  a N atom 
Atom 2 of S is  a S atom 
Atom 3 of C1 is  a C atom 
Atom 4 of N1 is  a N atom 
Atom 5 of O1 is  a O atom 
Atom 6 of C2 is  a C atom 
Atom 7 of N2 is  a N atom 
Atom 8 of O2 is  a O atom 
Atom 9 of C3 is  a C atom 
Atom 10 of N3 is  a N atom 
Atom 11 of O3 is  a O atom 
Atom 12 of C4 is  a C atom 
Atom 13 of C5 is  a C atom 
Atom 14 of C6 is  a C atom 
Atom 15 of N6 is  a N atom 
Atom 16 of N7 is  a N atom 
Atom 17 of C8 is  a C atom 
Atom 18 of N9 is  a N atom 
Atom 19 of CA is  a C atom 
Atom 20 of CB is  a C atom 
Atom 21 of C1' is  a C atom 
Atom 22 of S1P is  a S atom 
Atom 23 of C2' is  a C atom 
Atom 24 of P2A is  a P atom 
Atom 25 of C2P is  a C atom 
Atom 26 of O2P is  a O atom 
Atom 27 of C3' is  a C atom 
Atom 28 of C3P is  a C atom 
Atom 29 of O3P is  a O atom 
Atom 30 of C4' is  a C atom 
Atom 31 of O4' is  a O atom 
Atom 32 of O4A is  a O atom 
Atom 33 of N4P is  a N atom 
Atom 34 of C5P is  a C atom 
Atom 35 of O5P is  a O atom 
Atom 36 of O6A is  a O atom 
Atom 37 of C6P is  a C atom 
Atom 38 of C7P is  a C atom 
Atom 39 of N8P is  a N atom 
Atom 40 of C9P is  a C atom 
Atom 41 of O9P is  a O atom 
Atom 42 of CAP is  a C atom 
Atom 43 of OAP is  a O atom 
Atom 44 of CBP is  a C atom 
Atom 45 of CCP is  a C atom 
Atom 46 of CDP is  a C atom 
Atom 47 of CEP is  a C atom 
Atom 48 of CG1 is  a C atom 
Atom 49 of CG2 is  a C atom 
Atom 50 of H is  a H atom 
Atom 51 of HN is  a H atom 
Atom 52 of H1 is  a H atom 
Atom 53 of H1A is  a H atom 
Atom 54 of HO1 is  a H atom 
Atom 55 of H2 is  a H atom 
Atom 56 of HN2 is  a H atom 
Atom 57 of HN2A is  a H atom 
Atom 58 of HO2 is  a H atom 
Atom 59 of H3 is  a H atom 
Atom 60 of H3A is  a H atom 
Atom 61 of HN6 is  a H atom 
Atom 62 of HN6A is  a H atom 
Atom 63 of H8 is  a H atom 
Atom 64 of HA is  a H atom 
Atom 65 of HB is  a H atom 
Atom 66 of H1' is  a H atom 
Atom 67 of H2' is  a H atom 
Atom 68 of H2P is  a H atom 
Atom 69 of H2PA is  a H atom 
Atom 70 of H3' is  a H atom 
Atom 71 of H3P is  a H atom 
Atom 72 of H3PA is  a H atom 
Atom 73 of H4' is  a H atom 
Atom 74 of HN4P is  a H atom 
Atom 75 of H6P is  a H atom 
Atom 76 of H6PA is  a H atom 
Atom 77 of H7P is  a H atom 
Atom 78 of H7PA is  a H atom 
Atom 79 of HN8P is  a H atom 
Atom 80 of HAP is  a H atom 
Atom 81 of HOAP is  a H atom 
Atom 82 of HCP is  a H atom 
Atom 83 of HCPA is  a H atom 
Atom 84 of HDP is  a H atom 
Atom 85 of HDPA is  a H atom 
Atom 86 of HDPB is  a H atom 
Atom 87 of HEP is  a H atom 
Atom 88 of HEPA is  a H atom 
Atom 89 of HEPB is  a H atom 
Atom 90 of HG1 is  a H atom 
Atom 91 of HG1A is  a H atom 
Atom 92 of HG1B is  a H atom 
Atom 93 of HG2 is  a H atom 
Atom 94 of HG2A is  a H atom 
Atom 95 of HG2B is  a H atom 
For atom C : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom N : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom S : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 2
For atom C1 : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom N1 : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom O1 : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C2 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom N2 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom O2 : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C3 : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom N3 : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom O3 : 
it connects 1 atom(s) 
its formal charge is -1
its number of EX electrons is 0
For atom C4 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom C5 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom C6 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom N6 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom N7 : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom C8 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom N9 : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 2
For atom CA : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CB : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C1' : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom S1P : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C2' : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom P2A : 
it connects 3 atom(s) 
its formal charge is 1
its number of EX electrons is 3
For atom C2P : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom O2P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom C3' : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C3P : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom O3P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom C4' : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom O4' : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom O4A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom N4P : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C5P : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom O5P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom O6A : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C6P : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C7P : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom N8P : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom C9P : 
it connects 3 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom O9P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 1
For atom CAP : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom OAP : 
it connects 2 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CBP : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CCP : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CDP : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CEP : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CG1 : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom CG2 : 
it connects 4 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H1 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H1A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HO1 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H2 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN2 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN2A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HO2 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H3 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H3A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN6 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN6A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H8 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HB : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H1' : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H2' : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H2P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H2PA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H3' : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H3P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H3PA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H4' : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN4P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H6P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H6PA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H7P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom H7PA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HN8P : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HAP : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HOAP : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HCP : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HCPA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HDP : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HDPA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HDPB : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HEP : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HEPA : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HEPB : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG1 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG1A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG1B : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG2 : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG2A : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
For atom HG2B : 
it connects 1 atom(s) 
its formal charge is 0
its number of EX electrons is 0
Atom C   0     0
Atom N   1     0
Atom S   2     2
Atom C1   3     0
Atom N1   4     1
Atom O1   5     0
Atom C2   6     1
Atom N2   7     0
Atom O2   8     0
Atom C3   9     0
Atom N3   10     1
Atom O3   11     0
Atom C4   12     1
Atom C5   13     1
Atom C6   14     1
Atom N6   15     0
Atom N7   16     1
Atom C8   17     1
Atom N9   18     2
Atom CA   19     0
Atom CB   20     0
Atom C1'   21     0
Atom S1P   22     0
Atom C2'   23     0
Atom P2A   24     3
Atom C2P   25     0
Atom O2P   26     1
Atom C3'   27     0
Atom C3P   28     0
Atom O3P   29     1
Atom C4'   30     0
Atom O4'   31     0
Atom O4A   32     1
Atom N4P   33     0
Atom C5P   34     1
Atom O5P   35     1
Atom O6A   36     0
Atom C6P   37     0
Atom C7P   38     0
Atom N8P   39     0
Atom C9P   40     1
Atom O9P   41     1
Atom CAP   42     0
Atom OAP   43     0
Atom CBP   44     0
Atom CCP   45     0
Atom CDP   46     0
Atom CEP   47     0
Atom CG1   48     0
Atom CG2   49     0
Atom H   50     0
Atom HN   51     0
Atom H1   52     0
Atom H1A   53     0
Atom HO1   54     0
Atom H2   55     0
Atom HN2   56     0
Atom HN2A   57     0
Atom HO2   58     0
Atom H3   59     0
Atom H3A   60     0
Atom HN6   61     0
Atom HN6A   62     0
Atom H8   63     0
Atom HA   64     0
Atom HB   65     0
Atom H1'   66     0
Atom H2'   67     0
Atom H2P   68     0
Atom H2PA   69     0
Atom H3'   70     0
Atom H3P   71     0
Atom H3PA   72     0
Atom H4'   73     0
Atom HN4P   74     0
Atom H6P   75     0
Atom H6PA   76     0
Atom H7P   77     0
Atom H7PA   78     0
Atom HN8P   79     0
Atom HAP   80     0
Atom HOAP   81     0
Atom HCP   82     0
Atom HCPA   83     0
Atom HDP   84     0
Atom HDPA   85     0
Atom HDPB   86     0
Atom HEP   87     0
Atom HEPA   88     0
Atom HEPB   89     0
Atom HG1   90     0
Atom HG1A   91     0
Atom HG1B   92     0
Atom HG2   93     0
Atom HG2A   94     0
Atom HG2B   95     0
Now those atoms are considered to be with pi electrons 
Atom S of serial number 2
Atom N1 of serial number 4
Atom C2 of serial number 6
Atom N3 of serial number 10
Atom C4 of serial number 12
Atom C5 of serial number 13
Atom C6 of serial number 14
Atom N7 of serial number 16
Atom C8 of serial number 17
Atom N9 of serial number 18
Atom P2A of serial number 24
Atom O2P of serial number 26
Atom O3P of serial number 29
Atom O4A of serial number 32
Atom C5P of serial number 34
Atom O5P of serial number 35
Atom C9P of serial number 40
Atom O9P of serial number 41
Now there exist Only irreducible sets of bonds with undecided bond-orders
Bond-orders of All bonds are the following 
Bond 0 of atom C and C1
The bond order is 1
Bond 1 of atom C and CA
The bond order is 1
Bond 2 of atom C and S1P
The bond order is 1
Bond 3 of atom N and S
The bond order is 1
Bond 4 of atom N and C3
The bond order is 1
Bond 5 of atom S and C1
The bond order is 1
Bond 6 of atom S and O2P
The bond order is 2
Bond 7 of atom S and O3P
The bond order is 2
Bond 8 of atom N1 and C2
The bond order is 1
Bond 9 of atom N1 and C6
The bond order is 1
Bond 10 of atom O1 and C3'
The bond order is 1
Bond 11 of atom C2 and N3
The bond order is 1
Bond 12 of atom N2 and CA
The bond order is 1
Bond 13 of atom O2 and C2'
The bond order is 1
Bond 14 of atom C3 and C4'
The bond order is 1
Bond 15 of atom N3 and C4
The bond order is 1
Bond 16 of atom O3 and P2A
The bond order is 1
Bond 17 of atom C4 and C5
The bond order is 1
Bond 18 of atom C4 and N9
The bond order is 1
Bond 19 of atom C5 and C6
The bond order is 1
Bond 20 of atom C5 and N7
The bond order is 1
Bond 21 of atom C6 and N6
The bond order is 1
Bond 22 of atom N7 and C8
The bond order is 1
Bond 23 of atom C8 and N9
The bond order is 1
Bond 24 of atom N9 and C1'
The bond order is 1
Bond 25 of atom CA and CB
The bond order is 1
Bond 26 of atom CB and CG1
The bond order is 1
Bond 27 of atom CB and CG2
The bond order is 1
Bond 28 of atom C1' and C2'
The bond order is 1
Bond 29 of atom C1' and O4'
The bond order is 1
Bond 30 of atom S1P and C2P
The bond order is 1
Bond 31 of atom C2' and C3'
The bond order is 1
Bond 32 of atom P2A and O4A
The bond order is 2
Bond 33 of atom P2A and O6A
The bond order is 1
Bond 34 of atom C2P and C3P
The bond order is 1
Bond 35 of atom C3' and C4'
The bond order is 1
Bond 36 of atom C3P and N4P
The bond order is 1
Bond 37 of atom C4' and O4'
The bond order is 1
Bond 38 of atom N4P and C5P
The bond order is 1
Bond 39 of atom C5P and O5P
The bond order is 2
Bond 40 of atom C5P and C6P
The bond order is 1
Bond 41 of atom O6A and CCP
The bond order is 1
Bond 42 of atom C6P and C7P
The bond order is 1
Bond 43 of atom C7P and N8P
The bond order is 1
Bond 44 of atom N8P and C9P
The bond order is 1
Bond 45 of atom C9P and O9P
The bond order is 2
Bond 46 of atom C9P and CAP
The bond order is 1
Bond 47 of atom CAP and OAP
The bond order is 1
Bond 48 of atom CAP and CBP
The bond order is 1
Bond 49 of atom CBP and CCP
The bond order is 1
Bond 50 of atom CBP and CDP
The bond order is 1
Bond 51 of atom CBP and CEP
The bond order is 1
Bond 52 of atom C and H
The bond order is 1
Bond 53 of atom N and HN
The bond order is 1
Bond 54 of atom C1 and H1
The bond order is 1
Bond 55 of atom C1 and H1A
The bond order is 1
Bond 56 of atom O1 and HO1
The bond order is 1
Bond 57 of atom C2 and H2
The bond order is 1
Bond 58 of atom N2 and HN2
The bond order is 1
Bond 59 of atom N2 and HN2A
The bond order is 1
Bond 60 of atom O2 and HO2
The bond order is 1
Bond 61 of atom C3 and H3
The bond order is 1
Bond 62 of atom C3 and H3A
The bond order is 1
Bond 63 of atom N6 and HN6
The bond order is 1
Bond 64 of atom N6 and HN6A
The bond order is 1
Bond 65 of atom C8 and H8
The bond order is 1
Bond 66 of atom CA and HA
The bond order is 1
Bond 67 of atom CB and HB
The bond order is 1
Bond 68 of atom C1' and H1'
The bond order is 1
Bond 69 of atom C2' and H2'
The bond order is 1
Bond 70 of atom C2P and H2P
The bond order is 1
Bond 71 of atom C2P and H2PA
The bond order is 1
Bond 72 of atom C3' and H3'
The bond order is 1
Bond 73 of atom C3P and H3P
The bond order is 1
Bond 74 of atom C3P and H3PA
The bond order is 1
Bond 75 of atom C4' and H4'
The bond order is 1
Bond 76 of atom N4P and HN4P
The bond order is 1
Bond 77 of atom C6P and H6P
The bond order is 1
Bond 78 of atom C6P and H6PA
The bond order is 1
Bond 79 of atom C7P and H7P
The bond order is 1
Bond 80 of atom C7P and H7PA
The bond order is 1
Bond 81 of atom N8P and HN8P
The bond order is 1
Bond 82 of atom CAP and HAP
The bond order is 1
Bond 83 of atom OAP and HOAP
The bond order is 1
Bond 84 of atom CCP and HCP
The bond order is 1
Bond 85 of atom CCP and HCPA
The bond order is 1
Bond 86 of atom CDP and HDP
The bond order is 1
Bond 87 of atom CDP and HDPA
The bond order is 1
Bond 88 of atom CDP and HDPB
The bond order is 1
Bond 89 of atom CEP and HEP
The bond order is 1
Bond 90 of atom CEP and HEPA
The bond order is 1
Bond 91 of atom CEP and HEPB
The bond order is 1
Bond 92 of atom CG1 and HG1
The bond order is 1
Bond 93 of atom CG1 and HG1A
The bond order is 1
Bond 94 of atom CG1 and HG1B
The bond order is 1
Bond 95 of atom CG2 and HG2
The bond order is 1
Bond 96 of atom CG2 and HG2A
The bond order is 1
Bond 97 of atom CG2 and HG2B
The bond order is 1
nDone in this round : 0
Number of atoms with free pi electrons are 9
input number of atoms to the graph partition is 9
There are 1 subgraphs.
For subgraph 1, it contains the following atoms 
Atom N1
Atom C2
Atom N3
Atom C4
Atom C5
Atom C6
Atom N7
Atom C8
Atom N9
Assigned charges to atoms in subgraphs 
Check subgraph 1
The sum of excess electrons is 10
Ring 0 of C2C4C5C6N1N3 need kekulization
Ring 1 of C4C5C8N7N9 need kekulization
all atoms in subgraphs are in the rings 
Kekulize C2C4C5C6N1N3
Kekulize C4C5C8N7N9
=========END OF PROCESS INFORMATION
 ==========
