A1AM1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.39Å
C1	C2	sing	1.51Å	1.51Å
C2	O	doub	1.21Å	1.18Å
N	C2	sing	1.35Å	1.34Å
C3	N	sing	1.47Å	1.45Å
C4	C3	sing	1.51Å	1.49Å
C4	N1	doub	1.31Å	1.32Å	Aromatic
N1	N2	sing	1.29Å	1.36Å	Aromatic
N2	C5	doub	1.30Å	1.29Å	Aromatic
C5	C6	sing	1.51Å	1.47Å
C6	C7	sing	1.53Å	1.42Å
C7	C8	sing	1.53Å	1.46Å
C8	C9	sing	1.53Å	1.48Å
C9	N3	sing	1.46Å	1.46Å
N3	C4	sing	1.35Å	1.34Å	Aromatic
C5	N3	sing	1.36Å	1.31Å	Aromatic
C6	H9	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
N	H5	sing	0.97Å	1.00Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	116.9°	109.5°
C1	C	H	109.5°	109.4°
C1	C	H2	109.5°	109.5°
C1	C	H1	109.5°	109.4°
C	C1	H4	107.6°	109.5°
C	C1	H3	107.6°	109.4°
C1	C2	O	121.7°	120.0°
C1	C2	N	118.1°	120.0°
C2	C1	H4	107.6°	109.5°
C2	C1	H3	107.6°	109.5°
O	C2	N	120.1°	120.0°
C2	N	C3	115.9°	120.0°
C2	N	H5	122.1°	120.0°
N	C3	C4	107.3°	109.5°
C3	N	H5	122.0°	120.0°
N	C3	H6	110.0°	109.5°
N	C3	H7	110.0°	109.5°
C3	C4	N1	123.2°	126.4°
C3	C4	N3	127.6°	126.5°
C4	C3	H6	110.0°	109.5°
C4	C3	H7	110.0°	109.4°
C4	N1	N2	107.1°	109.7°
N1	C4	N3	109.1°	107.1°
N1	N2	C5	106.2°	109.5°
N2	C5	C6	128.1°	128.5°
N2	C5	N3	112.3°	107.4°
C5	C6	C7	100.6°	108.1°
C6	C5	N3	119.6°	124.1°
C5	C6	H9	111.7°	109.7°
C5	C6	H8	111.6°	109.7°
C6	C7	C8	104.9°	109.3°
C7	C6	H9	111.6°	109.7°
C7	C6	H8	111.7°	109.7°
C6	C7	H10	110.6°	109.5°
C6	C7	H11	110.6°	109.5°
C7	C8	C9	110.4°	109.6°
C8	C7	H10	110.6°	109.5°
C8	C7	H11	110.6°	109.5°
C7	C8	H13	109.2°	109.5°
C7	C8	H12	109.3°	109.5°
C8	C9	N3	112.2°	108.8°
C9	C8	H13	109.2°	109.5°
C9	C8	H12	109.2°	109.4°
C8	C9	H15	108.8°	109.6°
C8	C9	H14	108.8°	109.6°
C9	N3	C4	132.3°	128.9°
C9	N3	C5	121.5°	124.8°
N3	C9	H15	108.8°	109.6°
N3	C9	H14	108.8°	109.6°
C4	N3	C5	105.0°	106.3°
H9	C6	H8	109.4°	109.7°
H10	C7	H11	109.5°	109.6°
H13	C8	H12	109.5°	109.4°
H	C	H2	109.5°	109.5°
H	C	H1	109.5°	109.5°
H2	C	H1	109.5°	109.5°
H4	C1	H3	109.5°	109.5°
H6	C3	H7	109.5°	109.5°
H15	C9	H14	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H4	121.1°	120.0°
C	C1	C2	H3	121.1°	120.0°
C	C1	C2	O	165.9°	0.0°
C	C1	C2	N	16.7°	180.0°
C1	C	H	H2	120.0°	120.0°
C1	C	H	H1	120.0°	119.9°
C1	C	H2	H1	120.0°	120.0°
C	C1	H4	H3	116.6°	120.0°
C1	C2	O	N	177.4°	180.0°
C1	C2	N	C3	178.2°	180.0°
C1	C2	N	H5	1.8°	0.0°
C2	C1	C	H	180.0°	60.0°
C2	C1	C	H2	60.0°	60.0°
C2	C1	C	H1	60.0°	180.0°
C2	C1	H4	H3	116.6°	120.1°
O	C2	N	C3	4.3°	0.0°
O	C2	N	H5	175.7°	180.0°
O	C2	C1	H4	44.8°	120.0°
O	C2	C1	H3	73.0°	120.0°
C2	N	C3	H5	180.0°	180.0°
C2	N	C3	C4	81.9°	180.0°
N	C2	C1	H4	137.8°	60.0°
N	C2	C1	H3	104.4°	60.0°
C2	N	C3	H6	158.5°	60.0°
C2	N	C3	H7	37.8°	60.0°
N	C3	C4	H6	119.7°	120.0°
N	C3	C4	H7	119.7°	120.0°
N	C3	C4	N1	0.4°	90.0°
N	C3	C4	N3	175.7°	90.0°
N	C3	H6	H7	121.0°	120.1°
C3	C4	N1	N3	176.7°	180.0°
C3	C4	N1	N2	171.1°	179.9°
C3	C4	N3	C9	22.0°	0.1°
C3	C4	N3	C5	170.3°	179.9°
C4	C3	N	H5	98.1°	0.0°
C4	C3	H6	H7	121.0°	120.0°
C4	N1	N2	C5	2.8°	0.0°
N1	C4	N3	C9	161.5°	179.9°
N1	C4	N3	C5	6.2°	0.1°
N1	C4	C3	H6	119.3°	30.0°
N1	C4	C3	H7	120.1°	150.0°
N1	N2	C5	C6	179.1°	179.9°
N2	N1	C4	N3	5.6°	0.1°
N1	N2	C5	N3	1.1°	0.1°
N2	C5	C6	N3	179.7°	179.9°
N2	C5	C6	C7	128.3°	164.1°
N2	C5	N3	C9	164.8°	179.9°
N2	C5	N3	C4	4.5°	0.2°
N2	C5	C6	H9	113.1°	76.2°
N2	C5	C6	H8	9.8°	44.5°
C5	C6	C7	H9	118.6°	119.7°
C5	C6	C7	H8	118.5°	119.7°
C5	C6	C7	C8	76.3°	48.7°
C6	C5	N3	C9	14.9°	0.1°
C6	C5	N3	C4	175.7°	179.9°
C5	C6	H9	H8	124.1°	120.7°
C5	C6	C7	H10	164.5°	168.7°
C5	C6	C7	H11	43.0°	71.2°
C6	C7	C8	H10	119.3°	119.9°
C6	C7	C8	H11	119.2°	119.9°
C6	C7	C8	C9	69.1°	69.4°
C7	C6	C5	N3	51.4°	15.9°
C7	C6	H9	H8	124.1°	120.6°
C6	C7	H10	H11	122.1°	120.1°
C6	C7	C8	H13	51.0°	50.6°
C6	C7	C8	H12	170.8°	170.6°
C7	C8	C9	H13	120.1°	120.1°
C7	C8	C9	H12	120.1°	120.0°
C7	C8	C9	N3	28.6°	50.3°
C8	C7	C6	H9	42.3°	71.0°
C8	C7	C6	H8	165.2°	168.4°
C8	C7	H10	H11	122.2°	120.1°
C7	C8	H13	H12	119.6°	120.0°
C7	C8	C9	H15	149.0°	69.5°
C7	C8	C9	H14	91.9°	170.1°
C8	C9	N3	H15	120.4°	119.8°
C8	C9	N3	H14	120.4°	119.8°
C8	C9	N3	C4	168.5°	162.9°
C8	C9	N3	C5	2.5°	17.1°
C9	C8	C7	H10	171.6°	170.7°
C9	C8	C7	H11	50.1°	50.5°
C9	C8	H13	H12	119.6°	119.9°
C8	C9	H15	H14	118.7°	120.4°
C9	N3	C4	C5	167.7°	180.0°
N3	C9	C8	H13	91.6°	69.7°
N3	C9	C8	H12	148.7°	170.4°
N3	C9	H15	H14	118.7°	120.3°
N3	C4	C3	H6	64.7°	150.0°
N3	C4	C3	H7	56.0°	30.0°
C4	N3	C9	H15	71.1°	77.3°
C4	N3	C9	H14	48.1°	43.1°
N3	C5	C6	H9	67.2°	103.8°
N3	C5	C6	H8	169.9°	135.6°
C5	N3	C9	H15	122.9°	102.7°
C5	N3	C9	H14	118.0°	136.9°
H9	C6	C7	H10	77.0°	49.0°
H9	C6	C7	H11	161.6°	169.1°
H8	C6	C7	H10	45.9°	71.7°
H8	C6	C7	H11	75.5°	48.5°
H10	C7	C8	H13	68.3°	69.3°
H10	C7	C8	H12	51.5°	50.6°
H11	C7	C8	H13	170.3°	170.6°
H11	C7	C8	H12	70.0°	69.5°
H13	C8	C9	H15	28.9°	170.4°
H13	C8	C9	H14	148.0°	50.0°
H12	C8	C9	H15	90.9°	50.5°
H12	C8	C9	H14	28.3°	69.9°
H5	N	C3	H6	21.5°	120.0°
H5	N	C3	H7	142.2°	120.0°
H	C	H2	H1	120.0°	120.1°
H	C	C1	H4	58.9°	60.0°
H	C	C1	H3	58.9°	180.0°
H2	C	C1	H4	61.1°	NaN°
H2	C	C1	H3	178.9°	60.0°
H1	C	C1	H4	179.0°	60.0°
H1	C	C1	H3	61.1°	60.0°

Release date:	2024-04-24
Definition date:	2024-04-15
Last modified:	2024-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	7H31