C7P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	doub	0.00Å	1.34Å	Aromatic
N1	C5	sing	0.00Å	1.34Å	Aromatic
C1	C2	sing	0.00Å	1.39Å	Aromatic
C1	H2	sing	0.00Å	1.08Å
C2	C3	doub	0.00Å	1.39Å	Aromatic
C2	H3	sing	0.00Å	1.08Å
C3	C4	sing	0.00Å	1.39Å	Aromatic
C3	H4	sing	0.00Å	1.08Å
C4	C5	doub	0.00Å	1.39Å	Aromatic
C4	H5	sing	0.00Å	1.08Å
C5	H6	sing	0.00Å	1.08Å
N1	PT1	sing	0.00Å	1.91Å
PT1	CL1	sing	0.00Å	2.30Å
PT1	N3	sing	0.00Å	1.92Å
PT1	N2	sing	0.00Å	1.94Å
N2	HN	sing	0.00Å	1.00Å
N2	HNA	sing	0.00Å	1.00Å
N3	HNB	sing	0.00Å	1.00Å
N3	HNC	sing	0.00Å	1.00Å
N2	HND	sing	0.00Å	1.00Å
N3	HNE	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C5	121.5°	90.0°
N1	C1	C2	120.7°	90.0°
N1	C1	H2	119.6°	90.0°
C1	N1	PT1	119.4°	90.0°
N1	C5	C4	120.1°	90.0°
N1	C5	H6	119.9°	90.0°
C5	N1	PT1	119.1°	90.0°
C2	C1	H2	119.6°	90.0°
C1	C2	C3	119.0°	90.0°
C1	C2	H3	120.5°	90.0°
C3	C2	H3	120.5°	90.0°
C2	C3	C4	119.2°	90.0°
C2	C3	H4	120.4°	90.0°
C4	C3	H4	120.4°	90.0°
C3	C4	C5	119.5°	90.0°
C3	C4	H5	120.2°	90.0°
C5	C4	H5	120.3°	90.0°
C4	C5	H6	120.0°	90.0°
N1	PT1	CL1	84.8°	90.0°
N1	PT1	N3	170.9°	90.0°
N1	PT1	N2	86.6°	90.0°
CL1	PT1	N3	104.0°	90.0°
CL1	PT1	N2	169.3°	90.0°
N3	PT1	N2	84.3°	90.0°
PT1	N3	HNB	109.5°	90.0°
PT1	N3	HNC	109.5°	90.0°
PT1	N3	HNE	109.5°	90.0°
PT1	N2	HN	109.5°	90.0°
PT1	N2	HNA	109.5°	90.0°
PT1	N2	HND	109.4°	90.0°
HN	N2	HNA	109.4°	90.0°
HN	N2	HND	109.5°	90.0°
HNA	N2	HND	109.5°	90.0°
HNB	N3	HNC	109.5°	90.0°
HNB	N3	HNE	109.4°	90.0°
HNC	N3	HNE	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C5	PT1	179.1°	90.0°
N1	C1	C2	H2	180.0°	90.0°
N1	C1	C2	C3	0.0°	90.0°
N1	C1	C2	H3	180.0°	90.0°
C1	N1	C5	C4	0.1°	90.0°
C1	N1	C5	H6	179.9°	90.0°
C1	N1	PT1	CL1	104.8°	90.0°
C1	N1	PT1	N3	62.5°	90.0°
C1	N1	PT1	N2	68.7°	90.0°
C5	N1	C1	C2	0.0°	90.0°
C5	N1	C1	H2	180.0°	90.0°
N1	C5	C4	C3	0.4°	90.0°
N1	C5	C4	H6	180.0°	90.0°
N1	C5	C4	H5	179.6°	90.0°
C5	N1	PT1	CL1	76.0°	90.0°
C5	N1	PT1	N3	116.6°	90.0°
C5	N1	PT1	N2	110.5°	90.0°
C1	C2	C3	H3	180.0°	90.0°
C1	C2	C3	C4	0.3°	90.0°
C1	C2	C3	H4	179.7°	90.0°
C2	C1	N1	PT1	179.1°	90.0°
H2	C1	C2	C3	180.0°	90.0°
H2	C1	C2	H3	0.0°	90.0°
H2	C1	N1	PT1	0.9°	90.0°
C2	C3	C4	H4	180.0°	90.0°
C2	C3	C4	C5	0.4°	90.0°
C2	C3	C4	H5	179.6°	90.0°
H3	C2	C3	C4	179.8°	90.0°
H3	C2	C3	H4	0.2°	90.0°
C3	C4	C5	H5	180.0°	90.0°
C3	C4	C5	H6	179.6°	90.0°
H4	C3	C4	C5	179.6°	90.0°
H4	C3	C4	H5	0.4°	90.0°
C4	C5	N1	PT1	179.3°	90.0°
H5	C4	C5	H6	0.4°	90.0°
H6	C5	N1	PT1	0.7°	90.0°
N1	PT1	CL1	N3	178.0°	90.0°
N1	PT1	CL1	N2	37.3°	90.0°
N1	PT1	N3	N2	6.2°	90.0°
N1	PT1	N2	HN	180.0°	90.0°
N1	PT1	N2	HNA	60.0°	90.0°
N1	PT1	N3	HNB	180.0°	90.0°
N1	PT1	N3	HNC	60.0°	90.0°
N1	PT1	N2	HND	60.0°	90.0°
N1	PT1	N3	HNE	60.0°	90.0°
CL1	PT1	N3	N2	173.2°	90.0°
CL1	PT1	N2	HN	142.8°	90.0°
CL1	PT1	N2	HNA	22.8°	90.0°
CL1	PT1	N3	HNB	13.0°	90.0°
CL1	PT1	N3	HNC	107.0°	90.0°
CL1	PT1	N2	HND	97.2°	90.0°
CL1	PT1	N3	HNE	133.0°	90.0°
N3	PT1	N2	HN	1.0°	90.0°
N3	PT1	N2	HNA	119.0°	90.0°
PT1	N3	HNB	HNC	120.0°	90.0°
PT1	N3	HNB	HNE	120.0°	90.0°
PT1	N3	HNC	HNE	120.0°	90.0°
N3	PT1	N2	HND	121.0°	90.0°
PT1	N2	HN	HNA	120.0°	90.0°
PT1	N2	HN	HND	120.0°	90.0°
PT1	N2	HNA	HND	120.0°	90.0°
N2	PT1	N3	HNB	173.8°	90.0°
N2	PT1	N3	HNC	66.2°	90.0°
N2	PT1	N3	HNE	53.8°	90.0°
HN	N2	HNA	HND	120.0°	90.0°
HNB	N3	HNC	HNE	120.0°	90.0°

Definition date:	2008-04-03
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	3CO3