A1AMX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.72Å
C1	C2	sing	1.53Å	1.23Å
C2	C3	sing	1.53Å	1.55Å
C3	N	sing	1.47Å	1.45Å
C4	N	sing	1.47Å	1.48Å
C5	C4	sing	1.53Å	1.52Å
O	C5	sing	1.43Å	1.41Å
C2	O	sing	1.43Å	1.40Å
N	S	sing	1.66Å	1.69Å
O1	S	doub	1.42Å	1.34Å
S	O2	doub	1.42Å	1.50Å
N1	S	sing	1.66Å	1.30Å
C6	N1	sing	1.47Å	1.40Å
C7	N1	sing	1.47Å	1.40Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C7	H17	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	125.4°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H1	109.5°	109.4°
C	C1	H3	105.4°	109.5°
C	C1	H4	105.4°	109.5°
C1	C2	C3	136.3°	109.5°
C1	C2	O	100.9°	109.5°
C2	C1	H3	105.3°	109.4°
C2	C1	H4	105.4°	109.4°
C1	C2	H5	101.5°	109.5°
C2	C3	N	108.9°	108.4°
C3	C2	O	112.8°	109.2°
C3	C2	H5	99.1°	109.5°
C2	C3	H7	109.6°	109.7°
C2	C3	H6	109.6°	109.7°
C3	N	C4	114.5°	118.0°
C3	N	S	115.2°	121.0°
N	C3	H7	109.6°	109.6°
N	C3	H6	109.6°	109.7°
N	C4	C5	111.8°	108.4°
C4	N	S	118.9°	121.0°
N	C4	H8	108.9°	109.7°
N	C4	H9	108.9°	109.7°
C4	C5	O	111.4°	109.2°
C5	C4	H8	108.9°	109.7°
C5	C4	H9	108.9°	109.7°
C4	C5	H11	109.0°	109.6°
C4	C5	H10	109.0°	109.5°
C5	O	C2	120.5°	114.2°
O	C5	H11	109.0°	109.5°
O	C5	H10	109.0°	109.5°
O	C2	H5	100.1°	109.5°
N	S	O1	107.0°	106.4°
N	S	O2	111.5°	106.4°
N	S	N1	116.4°	107.2°
O1	S	O2	106.5°	123.1°
O1	S	N1	112.1°	106.4°
O2	S	N1	102.9°	106.4°
S	N1	C6	110.7°	120.0°
S	N1	C7	120.8°	120.0°
C6	N1	C7	111.8°	120.0°
N1	C6	H12	109.5°	109.4°
N1	C6	H14	109.5°	109.5°
N1	C6	H13	109.5°	109.4°
N1	C7	H15	109.5°	109.5°
N1	C7	H16	109.5°	109.5°
N1	C7	H17	109.5°	109.5°
H8	C4	H9	109.5°	109.7°
H11	C5	H10	109.5°	109.5°
H12	C6	H14	109.5°	109.5°
H12	C6	H13	109.5°	109.5°
H14	C6	H13	109.5°	109.5°
H15	C7	H16	109.4°	109.5°
H15	C7	H17	109.5°	109.5°
H16	C7	H17	109.4°	109.5°
H2	C	H	109.5°	109.5°
H2	C	H1	109.5°	109.4°
H	C	H1	109.5°	109.5°
H3	C1	H4	109.5°	109.5°
H7	C3	H6	109.4°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H3	122.1°	120.0°
C	C1	C2	H4	122.1°	120.0°
C	C1	C2	C3	130.6°	175.0°
C	C1	C2	O	10.1°	65.2°
C1	C	H2	H	120.0°	120.1°
C1	C	H2	H1	120.0°	120.0°
C1	C	H	H1	120.0°	120.0°
C	C1	H3	H4	112.9°	120.1°
C	C1	C2	H5	112.9°	54.9°
C1	C2	C3	O	137.5°	119.9°
C1	C2	C3	H5	117.3°	120.1°
C1	C2	C3	N	173.7°	172.3°
C1	C2	O	C5	161.3°	177.5°
C1	C2	O	H5	103.9°	120.1°
C2	C1	C	H2	180.0°	60.0°
C2	C1	C	H	60.0°	60.0°
C2	C1	C	H1	60.0°	180.0°
C2	C1	H3	H4	112.9°	119.9°
C1	C2	C3	H7	66.4°	68.1°
C1	C2	C3	H6	53.8°	52.5°
C2	C3	N	H7	119.9°	119.7°
C2	C3	N	H6	119.9°	119.8°
C2	C3	N	C4	54.1°	50.6°
C3	C2	O	C5	47.1°	62.6°
C3	C2	O	H5	104.5°	120.0°
C2	C3	N	S	162.6°	129.4°
C3	C2	C1	H3	8.5°	65.0°
C3	C2	C1	H4	107.2°	55.0°
C2	C3	H7	H6	120.3°	120.6°
C3	N	C4	S	141.9°	180.0°
C3	N	C4	C5	53.7°	50.6°
N	C3	C2	O	48.7°	52.3°
C3	N	S	O1	164.6°	156.4°
C3	N	S	O2	79.3°	23.5°
C3	N	S	N1	38.3°	90.0°
C3	N	C4	H8	66.7°	170.3°
C3	N	C4	H9	174.0°	69.2°
N	C3	C2	H5	56.4°	67.6°
N	C3	H7	H6	120.2°	120.5°
N	C4	C5	H8	120.4°	119.7°
N	C4	C5	H9	120.3°	119.8°
N	C4	C5	O	44.8°	52.3°
C4	N	S	O1	53.8°	23.5°
C4	N	S	O2	62.4°	156.5°
C4	N	S	N1	179.9°	90.0°
N	C4	H8	H9	119.0°	120.5°
N	C4	C5	H11	165.1°	172.2°
N	C4	C5	H10	75.5°	67.6°
C4	N	C3	H7	65.9°	170.3°
C4	N	C3	H6	174.0°	69.2°
C4	C5	O	H11	120.3°	120.0°
C4	C5	O	H10	120.3°	119.9°
C4	C5	O	C2	44.6°	62.6°
C5	C4	N	S	164.4°	129.4°
C5	C4	H8	H9	118.9°	120.6°
C4	C5	H11	H10	119.1°	120.2°
O	C5	C4	H8	75.6°	172.0°
O	C5	C4	H9	165.1°	67.4°
O	C5	H11	H10	119.1°	120.1°
C5	O	C2	H5	57.4°	57.4°
C2	O	C5	H11	164.9°	177.5°
C2	O	C5	H10	75.6°	57.4°
O	C2	C1	H3	132.2°	54.8°
O	C2	C1	H4	112.1°	174.8°
O	C2	C3	H7	71.2°	172.0°
O	C2	C3	H6	168.7°	67.4°
N	S	O1	O2	119.4°	123.0°
N	S	O1	N1	128.8°	114.1°
N	S	O2	N1	125.5°	114.1°
N	S	N1	C6	76.8°	90.0°
N	S	N1	C7	56.6°	90.2°
S	N	C4	H8	75.2°	9.7°
S	N	C4	H9	44.1°	110.8°
S	N	C3	H7	77.5°	9.7°
S	N	C3	H6	42.6°	110.8°
O1	S	O2	N1	118.1°	122.9°
O1	S	N1	C6	159.5°	156.5°
O1	S	N1	C7	67.1°	23.3°
O2	S	N1	C6	45.4°	23.6°
O2	S	N1	C7	178.8°	156.2°
S	N1	C6	C7	137.8°	179.8°
S	N1	C6	H12	180.0°	90.0°
S	N1	C6	H14	60.0°	150.0°
S	N1	C6	H13	60.0°	29.9°
S	N1	C7	H15	180.0°	0.1°
S	N1	C7	H16	60.0°	119.9°
S	N1	C7	H17	60.0°	120.0°
N1	C6	H12	H14	120.0°	120.0°
N1	C6	H12	H13	120.0°	119.9°
N1	C6	H14	H13	120.0°	120.0°
C6	N1	C7	H15	47.1°	179.7°
C6	N1	C7	H16	72.9°	60.2°
C6	N1	C7	H17	167.1°	59.8°
C7	N1	C6	H12	42.2°	89.8°
C7	N1	C6	H14	162.2°	30.2°
C7	N1	C6	H13	77.8°	150.3°
N1	C7	H15	H16	120.0°	120.0°
N1	C7	H15	H17	120.0°	120.0°
N1	C7	H16	H17	120.0°	120.0°
H8	C4	C5	H11	44.7°	68.1°
H8	C4	C5	H10	164.2°	52.1°
H9	C4	C5	H11	74.6°	52.5°
H9	C4	C5	H10	44.8°	172.6°
H12	C6	H14	H13	120.0°	120.0°
H15	C7	H16	H17	120.0°	120.0°
H2	C	H	H1	120.0°	120.0°
H2	C	C1	H3	57.9°	60.0°
H2	C	C1	H4	57.9°	180.0°
H	C	C1	H3	62.1°	180.0°
H	C	C1	H4	177.8°	60.0°
H1	C	C1	H3	177.9°	60.0°
H1	C	C1	H4	62.2°	60.0°
H3	C1	C2	H5	125.0°	174.9°
H4	C1	C2	H5	9.2°	65.1°
H5	C2	C3	H7	176.3°	52.0°
H5	C2	C3	H6	63.5°	172.6°

Release date:	2024-04-24
Definition date:	2024-04-15
Last modified:	2024-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	7H2U