26K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.45Å
N1	C2	sing	1.47Å	1.46Å
N1	C3	sing	1.47Å	1.45Å
C4	C3	sing	1.53Å	1.54Å
C4	N2	sing	1.46Å	1.46Å
N2	C5	sing	1.38Å	1.36Å
C5	C6	sing	1.41Å	1.41Å	Aromatic
C5	N7	doub	1.32Å	1.37Å	Aromatic
C6	C7	doub	1.35Å	1.39Å	Aromatic
N7	C8	sing	1.34Å	1.36Å	Aromatic
C7	N3	sing	1.37Å	1.34Å	Aromatic
C8	N3	sing	1.37Å	1.34Å	Aromatic
C8	C9	doub	1.40Å	1.39Å	Aromatic
N3	N6	sing	1.40Å	1.41Å	Aromatic
C12	C10	doub	1.36Å	1.40Å	Aromatic
C12	N5	sing	1.35Å	1.35Å	Aromatic
N6	C13	doub	1.31Å	1.39Å	Aromatic
C9	C10	sing	1.49Å	1.41Å
C9	C13	sing	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.41Å	1.39Å	Aromatic
N5	N4	sing	1.40Å	1.40Å	Aromatic
C11	N4	doub	1.31Å	1.36Å	Aromatic
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
N2	H15	sing	0.97Å	1.00Å
C12	H16	sing	1.08Å	1.08Å
N5	H17	sing	0.97Å	1.00Å
C11	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	109.3°	111.0°
C1	N1	C3	109.8°	111.0°
N1	C1	H10	109.5°	109.5°
N1	C1	H11	109.5°	109.5°
N1	C1	H12	109.5°	109.5°
C2	N1	C3	110.9°	111.0°
N1	C2	H7	109.5°	109.5°
N1	C2	H8	109.4°	109.5°
N1	C2	H9	109.5°	109.4°
N1	C3	C4	112.0°	109.5°
N1	C3	H13	108.8°	109.5°
N1	C3	H14	108.8°	109.5°
C3	C4	N2	110.2°	109.5°
C3	C4	H2	109.3°	109.5°
C3	C4	H3	109.3°	109.5°
C4	C3	H13	108.8°	109.5°
C4	C3	H14	108.8°	109.4°
C4	N2	C5	124.6°	120.0°
N2	C4	H2	109.3°	109.5°
N2	C4	H3	109.3°	109.4°
C4	N2	H15	105.6°	120.0°
N2	C5	C6	119.6°	120.0°
N2	C5	N7	121.5°	120.0°
C5	N2	H15	105.6°	120.0°
C6	C5	N7	119.0°	120.1°
C5	C6	C7	120.8°	119.4°
C5	C6	H4	119.6°	120.3°
C5	N7	C8	117.4°	120.7°
C6	C7	N3	118.2°	119.3°
C7	C6	H4	119.6°	120.3°
C6	C7	H5	120.9°	120.3°
N7	C8	N3	124.0°	120.7°
N7	C8	C9	132.0°	132.5°
C7	N3	C8	120.6°	119.9°
C7	N3	N6	125.8°	132.3°
N3	C7	H5	120.9°	120.4°
N3	C8	C9	104.0°	106.8°
C8	N3	N6	113.5°	107.9°
C8	C9	C10	125.9°	126.3°
C8	C9	C13	110.6°	107.3°
N3	N6	C13	104.5°	109.2°
C10	C12	N5	106.5°	107.5°
C12	C10	C9	125.3°	126.2°
C12	C10	C11	111.5°	107.6°
C10	C12	H16	126.7°	126.2°
C12	N5	N4	107.1°	108.2°
N5	C12	H16	126.8°	126.2°
C12	N5	H17	126.5°	125.9°
N6	C13	C9	107.4°	108.8°
N6	C13	H6	126.3°	125.6°
C10	C9	C13	123.5°	126.3°
C9	C10	C11	123.3°	126.2°
C9	C13	H6	126.3°	125.6°
C10	C11	N4	103.2°	108.1°
C10	C11	H18	128.4°	125.9°
N5	N4	C11	111.8°	108.5°
N4	N5	H17	126.4°	125.9°
N4	C11	H18	128.4°	126.0°
H2	C4	H3	109.5°	109.5°
H7	C2	H8	109.5°	109.5°
H7	C2	H9	109.4°	109.5°
H8	C2	H9	109.5°	109.5°
H10	C1	H11	109.4°	109.5°
H10	C1	H12	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H13	C3	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C3	121.1°	123.9°
C1	N1	C3	C4	2.1°	170.0°
C1	N1	C2	H7	180.0°	63.9°
C1	N1	C2	H8	60.0°	56.1°
C1	N1	C2	H9	60.0°	176.1°
N1	C1	H10	H11	120.0°	120.0°
N1	C1	H10	H12	120.0°	120.0°
N1	C1	H11	H12	120.0°	120.0°
C1	N1	C3	H13	118.3°	50.0°
C1	N1	C3	H14	122.5°	70.0°
C2	N1	C3	C4	122.9°	66.1°
N1	C2	H7	H8	120.0°	120.0°
N1	C2	H7	H9	120.0°	119.9°
N1	C2	H8	H9	120.0°	119.9°
C2	N1	C1	H10	180.0°	63.9°
C2	N1	C1	H11	60.0°	176.1°
C2	N1	C1	H12	60.0°	56.0°
C2	N1	C3	H13	2.5°	173.9°
C2	N1	C3	H14	116.7°	53.9°
N1	C3	C4	H13	120.4°	120.0°
N1	C3	C4	H14	120.4°	120.0°
N1	C3	C4	N2	136.3°	180.0°
N1	C3	C4	H2	16.2°	60.0°
N1	C3	C4	H3	103.6°	60.0°
C3	N1	C2	H7	58.9°	60.0°
C3	N1	C2	H8	61.1°	180.0°
C3	N1	C2	H9	178.9°	60.0°
C3	N1	C1	H10	58.2°	60.0°
C3	N1	C1	H11	178.2°	60.0°
C3	N1	C1	H12	61.8°	180.0°
N1	C3	H13	H14	118.8°	120.1°
C3	C4	N2	H2	120.1°	120.0°
C3	C4	N2	H3	120.1°	120.0°
C3	C4	N2	C5	72.5°	180.0°
C3	C4	H2	H3	119.6°	120.0°
C4	C3	H13	H14	118.9°	119.9°
C3	C4	N2	H15	49.6°	0.0°
C4	N2	C5	H15	122.0°	180.0°
C4	N2	C5	C6	171.4°	180.0°
C4	N2	C5	N7	7.7°	0.1°
N2	C4	H2	H3	119.7°	119.9°
N2	C4	C3	H13	103.4°	60.0°
N2	C4	C3	H14	15.9°	60.0°
N2	C5	C6	N7	179.1°	179.9°
N2	C5	C6	C7	178.4°	180.0°
N2	C5	N7	C8	180.0°	179.9°
C5	N2	C4	H2	167.4°	60.0°
C5	N2	C4	H3	47.6°	60.0°
N2	C5	C6	H4	1.6°	0.1°
C5	C6	C7	H4	180.0°	179.9°
C6	C5	N7	C8	0.9°	0.1°
C5	C6	C7	N3	1.5°	0.2°
C5	C6	C7	H5	178.5°	179.9°
C6	C5	N2	H15	49.3°	0.0°
N7	C5	C6	C7	0.7°	0.1°
C5	N7	C8	N3	1.9°	0.0°
C5	N7	C8	C9	179.6°	180.0°
N7	C5	C6	H4	179.3°	180.0°
N7	C5	N2	H15	129.8°	179.9°
C6	C7	N3	H5	180.0°	179.9°
C6	C7	N3	C8	0.7°	0.4°
C6	C7	N3	N6	179.7°	180.0°
N7	C8	N3	C7	1.1°	0.3°
N7	C8	N3	C9	178.3°	180.0°
N7	C8	N3	N6	178.1°	180.0°
N7	C8	C9	C10	1.5°	0.1°
N7	C8	C9	C13	178.1°	180.0°
C7	N3	C8	N6	179.1°	179.7°
C7	N3	C8	C9	179.3°	179.7°
C7	N3	N6	C13	179.5°	179.7°
N3	C7	C6	H4	178.5°	179.7°
C8	N3	N6	C13	0.4°	0.0°
N3	C8	C9	C10	179.5°	180.0°
N3	C8	C9	C13	0.1°	0.0°
C8	N3	C7	H5	179.4°	179.7°
C9	C8	N3	N6	0.2°	0.0°
C8	C9	C10	C12	0.3°	130.3°
C8	C9	C13	N6	0.4°	0.0°
C8	C9	C10	C13	179.6°	179.9°
C8	C9	C10	C11	179.3°	50.0°
C8	C9	C13	H6	179.6°	180.0°
N3	N6	C13	C9	0.4°	0.0°
N6	N3	C7	H5	0.4°	0.1°
N3	N6	C13	H6	179.6°	180.0°
C10	C12	N5	H16	180.0°	179.9°
C12	C10	C9	C11	179.6°	179.7°
C12	C10	C9	C13	179.3°	49.6°
C10	C12	N5	N4	0.2°	0.0°
C12	C10	C11	N4	0.3°	0.0°
C10	C12	N5	H17	179.8°	180.0°
C12	C10	C11	H18	179.8°	179.7°
N5	C12	C10	C9	179.4°	179.7°
N5	C12	C10	C11	0.3°	0.0°
C12	N5	N4	H17	180.0°	180.0°
C12	N5	N4	C11	0.1°	0.0°
N6	C13	C9	C10	179.3°	179.9°
N6	C13	C9	H6	180.0°	180.0°
C9	C10	C11	N4	179.4°	179.7°
C10	C9	C13	H6	0.7°	0.1°
C9	C10	C12	H16	0.7°	0.3°
C9	C10	C11	H18	0.6°	0.0°
C13	C9	C10	C11	1.1°	130.0°
C10	C11	N4	N5	0.1°	0.0°
C10	C11	N4	H18	180.0°	179.7°
C11	C10	C12	H16	179.7°	179.9°
N4	N5	C12	H16	179.8°	179.9°
N5	N4	C11	H18	179.9°	179.7°
C11	N4	N5	H17	180.0°	180.0°
H2	C4	C3	H13	136.6°	180.0°
H2	C4	C3	H14	104.2°	60.1°
H2	C4	N2	H15	70.5°	120.0°
H3	C4	C3	H13	16.8°	60.0°
H3	C4	C3	H14	136.1°	179.9°
H3	C4	N2	H15	169.7°	120.0°
H4	C6	C7	H5	1.5°	0.2°
H7	C2	H8	H9	120.0°	120.0°
H10	C1	H11	H12	120.0°	119.9°
H16	C12	N5	H17	0.2°	0.0°

Release date:	2013-09-18
Definition date:	2013-09-02
Last modified:	2013-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	4MBI