14N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.53Å
C2	N1	sing	1.47Å	1.45Å
C3	N2	sing	1.47Å	1.44Å
C5	C4	sing	1.53Å	1.47Å
C5	N1	sing	1.47Å	1.48Å
C4	N2	sing	1.47Å	1.47Å
N1	C1	sing	1.47Å	1.44Å
N2	C6	sing	1.39Å	1.46Å
C6	C11	doub	1.39Å	1.50Å	Aromatic
C6	C7	sing	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.37Å	1.38Å	Aromatic
C7	C8	doub	1.37Å	1.51Å	Aromatic
C10	C9	doub	1.40Å	1.53Å	Aromatic
C8	C9	sing	1.40Å	1.37Å	Aromatic
C9	C12	sing	1.47Å	1.46Å
C12	O2	doub	1.22Å	1.25Å
C12	O1	sing	1.35Å	1.25Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.08Å	1.08Å
C8	H14	sing	1.08Å	1.08Å
O1	H15	sing	0.97Å	0.95Å
C10	H16	sing	1.08Å	1.08Å
C11	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N1	113.3°	109.4°
C2	C3	N2	104.4°	109.4°
C2	C3	H1	110.7°	109.5°
C2	C3	H2	110.7°	109.5°
C3	C2	H3	108.5°	109.5°
C3	C2	H4	108.5°	109.5°
C2	N1	C5	112.7°	110.9°
C2	N1	C1	122.7°	111.0°
N1	C2	H3	108.5°	109.5°
N1	C2	H4	108.5°	109.5°
C3	N2	C4	119.5°	110.9°
C3	N2	C6	116.4°	111.0°
N2	C3	H1	110.7°	109.5°
N2	C3	H2	110.7°	109.5°
C4	C5	N1	109.7°	109.4°
C5	C4	N2	109.6°	109.4°
C4	C5	H9	109.4°	109.4°
C4	C5	H10	109.4°	109.5°
C5	C4	H11	109.4°	109.5°
C5	C4	H12	109.4°	109.5°
C5	N1	C1	117.9°	111.0°
N1	C5	H9	109.4°	109.5°
N1	C5	H10	109.4°	109.5°
C4	N2	C6	124.0°	111.0°
N2	C4	H11	109.4°	109.5°
N2	C4	H12	109.4°	109.4°
N1	C1	H6	109.5°	109.5°
N1	C1	H7	109.4°	109.5°
N1	C1	H8	109.5°	109.5°
N2	C6	C11	120.5°	119.9°
N2	C6	C7	118.3°	119.9°
C11	C6	C7	121.2°	120.2°
C6	C11	C10	118.8°	120.1°
C6	C11	H17	120.6°	120.0°
C6	C7	C8	119.7°	120.1°
C6	C7	H13	120.2°	120.0°
C11	C10	C9	120.6°	119.9°
C11	C10	H16	119.7°	120.1°
C10	C11	H17	120.6°	120.0°
C7	C8	C9	119.4°	119.9°
C8	C7	H13	120.1°	120.0°
C7	C8	H14	120.3°	120.0°
C10	C9	C8	120.3°	119.9°
C10	C9	C12	120.1°	120.1°
C9	C10	H16	119.7°	120.0°
C8	C9	C12	119.6°	120.0°
C9	C8	H14	120.3°	120.0°
C9	C12	O2	120.0°	120.0°
C9	C12	O1	119.7°	120.0°
O2	C12	O1	120.3°	120.0°
C12	O1	H15	109.5°	117.0°
H1	C3	H2	109.5°	109.5°
H3	C2	H4	109.5°	109.5°
H6	C1	H7	109.5°	109.4°
H6	C1	H8	109.4°	109.4°
H7	C1	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.5°
H11	C4	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	H3	120.6°	119.9°
C3	C2	N1	H4	120.6°	120.0°
C2	C3	N2	H1	119.2°	120.0°
C2	C3	N2	H2	119.2°	120.0°
C3	C2	N1	C5	58.3°	59.3°
C2	C3	N2	C4	53.4°	59.3°
C3	C2	N1	C1	151.2°	176.8°
C2	C3	N2	C6	123.6°	176.8°
C2	C3	H1	H2	122.3°	120.0°
C3	C2	H3	H4	118.2°	120.1°
N1	C2	C3	N2	4.8°	58.4°
C2	N1	C5	C4	55.1°	59.3°
C2	N1	C5	C1	152.0°	123.9°
N1	C2	C3	H1	114.4°	61.6°
N1	C2	C3	H2	124.0°	178.4°
N1	C2	H3	H4	118.3°	120.0°
C2	N1	C1	H6	180.0°	60.0°
C2	N1	C1	H7	60.0°	180.0°
C2	N1	C1	H8	60.0°	60.0°
C2	N1	C5	H9	175.1°	60.6°
C2	N1	C5	H10	64.9°	179.3°
C3	N2	C4	C5	57.0°	59.3°
C3	N2	C4	C6	176.7°	123.9°
C3	N2	C6	C11	18.0°	180.0°
C3	N2	C6	C7	162.2°	0.3°
N2	C3	H1	H2	122.3°	120.1°
N2	C3	C2	H3	115.8°	61.6°
N2	C3	C2	H4	125.4°	178.4°
C3	N2	C4	H11	63.0°	179.3°
C3	N2	C4	H12	177.0°	60.7°
C4	C5	N1	H9	120.0°	119.9°
C4	C5	N1	H10	120.0°	120.0°
C5	C4	N2	H11	120.0°	120.0°
C5	C4	N2	H12	120.0°	120.0°
C4	C5	N1	C1	152.9°	176.8°
C5	C4	N2	C6	119.8°	176.8°
C4	C5	H9	H10	119.9°	120.0°
C5	C4	H11	H12	119.9°	120.1°
N1	C5	C4	N2	1.5°	58.4°
C5	N1	C2	H3	62.3°	60.6°
C5	N1	C2	H4	178.9°	179.3°
C5	N1	C1	H6	31.0°	176.2°
C5	N1	C1	H7	89.0°	56.2°
C5	N1	C1	H8	150.9°	63.8°
N1	C5	H9	H10	119.9°	120.1°
N1	C5	C4	H11	121.5°	178.4°
N1	C5	C4	H12	118.5°	61.5°
C4	N2	C6	C11	165.1°	56.2°
C4	N2	C6	C7	14.7°	124.1°
C4	N2	C3	H1	172.6°	60.7°
C4	N2	C3	H2	65.7°	179.3°
N2	C4	C5	H9	121.6°	61.6°
N2	C4	C5	H10	118.5°	178.4°
N2	C4	H11	H12	120.0°	120.0°
C1	N1	C2	H3	88.2°	63.2°
C1	N1	C2	H4	30.6°	56.9°
N1	C1	H6	H7	120.0°	120.0°
N1	C1	H6	H8	120.0°	120.0°
N1	C1	H7	H8	120.0°	120.1°
C1	N1	C5	H9	32.9°	63.2°
C1	N1	C5	H10	87.1°	56.9°
N2	C6	C11	C7	179.8°	179.7°
N2	C6	C11	C10	179.2°	179.7°
N2	C6	C7	C8	179.7°	180.0°
C6	N2	C3	H1	4.3°	63.2°
C6	N2	C3	H2	117.3°	56.8°
C6	N2	C4	H11	120.2°	56.8°
C6	N2	C4	H12	0.2°	63.2°
N2	C6	C7	H13	0.3°	0.0°
N2	C6	C11	H17	0.8°	0.1°
C6	C11	C10	H17	180.0°	179.8°
C11	C6	C7	C8	0.0°	0.3°
C6	C11	C10	C9	0.3°	0.5°
C11	C6	C7	H13	179.9°	179.8°
C6	C11	C10	H16	179.7°	179.8°
C7	C6	C11	C10	0.6°	0.5°
C6	C7	C8	H13	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.0°
C6	C7	C8	H14	179.3°	180.0°
C7	C6	C11	H17	179.4°	179.7°
C11	C10	C9	H16	180.0°	179.7°
C11	C10	C9	C8	0.5°	0.3°
C11	C10	C9	C12	180.0°	179.7°
C7	C8	C9	C10	1.0°	0.0°
C7	C8	C9	H14	180.0°	180.0°
C7	C8	C9	C12	179.5°	180.0°
C10	C9	C8	C12	179.6°	180.0°
C10	C9	C12	O2	31.6°	180.0°
C10	C9	C12	O1	149.3°	0.1°
C10	C9	C8	H14	179.0°	180.0°
C9	C10	C11	H17	179.7°	179.7°
C8	C9	C12	O2	148.9°	0.0°
C8	C9	C12	O1	30.2°	180.0°
C9	C8	C7	H13	179.3°	180.0°
C8	C9	C10	H16	179.5°	180.0°
C9	C12	O2	O1	179.1°	179.9°
C12	C9	C8	H14	0.5°	0.0°
C9	C12	O1	H15	179.1°	180.0°
C12	C9	C10	H16	0.0°	0.0°
O2	C12	O1	H15	0.0°	0.1°
H1	C3	C2	H3	125.0°	178.4°
H1	C3	C2	H4	6.2°	58.4°
H2	C3	C2	H3	3.4°	58.4°
H2	C3	C2	H4	115.4°	61.6°
H6	C1	H7	H8	120.0°	119.9°
H9	C5	C4	H11	118.4°	58.4°
H9	C5	C4	H12	1.6°	178.5°
H10	C5	C4	H11	1.5°	61.6°
H10	C5	C4	H12	121.5°	58.5°
H13	C7	C8	H14	0.7°	0.0°
H16	C10	C11	H17	0.3°	0.0°

Release date:	2013-02-01
Definition date:	2013-01-15
Last modified:	2013-02-01
Release status:	REL
Processing site:	RCSB
Derived from:	4ICL