Z0A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.49Å
N1	H1	sing	1.01Å	1.00Å
C1	C2	sing	1.53Å	1.56Å
C1	C4	sing	1.53Å	1.55Å
C1	H2	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.55Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	C5	sing	1.51Å	1.46Å
C3	C7	sing	1.55Å	1.56Å
C3	H5	sing	1.09Å	1.10Å
C4	C8	sing	1.53Å	1.55Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	O1	doub	1.21Å	1.25Å
C5	N2	sing	1.34Å	1.42Å
N2	C6	sing	1.47Å	1.49Å
N2	H8	sing	0.97Å	1.00Å
C6	C7	sing	1.54Å	1.55Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C8	C9	sing	1.51Å	1.53Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C9	C10	sing	1.51Å	1.52Å
C9	O2	doub	1.21Å	1.24Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
N1	H18	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	109.5°	111.0°
N1	C1	C2	109.7°	109.5°
N1	C1	C4	109.2°	109.5°
N1	C1	H2	110.3°	109.4°
C1	N1	H18	109.5°	111.0°
H1	N1	H18	109.5°	111.0°
C2	C1	C4	111.8°	109.5°
C2	C1	H2	107.6°	109.5°
C1	C2	C3	116.8°	109.5°
C1	C2	H3	107.1°	109.5°
C1	C2	H4	107.1°	109.5°
C4	C1	H2	108.2°	109.5°
C1	C4	C8	110.3°	109.5°
C1	C4	H6	109.2°	109.5°
C1	C4	H7	109.2°	109.5°
C3	C2	H3	107.1°	109.4°
C3	C2	H4	107.1°	109.5°
C2	C3	C5	112.5°	110.5°
C2	C3	C7	120.0°	110.5°
C2	C3	H5	97.1°	110.4°
H3	C2	H4	111.7°	109.5°
C5	C3	C7	99.5°	104.2°
C5	C3	H5	118.4°	110.5°
C3	C5	O1	124.7°	125.0°
C3	C5	N2	110.6°	110.1°
C7	C3	H5	110.6°	110.6°
C3	C7	C6	101.1°	101.8°
C3	C7	H11	112.4°	110.9°
C3	C7	H12	112.4°	110.9°
C8	C4	H6	109.2°	109.5°
C8	C4	H7	109.2°	109.4°
C4	C8	C9	112.1°	109.5°
C4	C8	H13	108.6°	109.5°
C4	C8	H14	108.6°	109.5°
H6	C4	H7	109.7°	109.4°
O1	C5	N2	124.7°	125.0°
C5	N2	C6	108.1°	111.3°
C5	N2	H8	126.0°	124.3°
C6	N2	H8	126.0°	124.4°
N2	C6	C7	100.0°	105.5°
N2	C6	H9	112.8°	110.2°
N2	C6	H10	112.8°	110.2°
C7	C6	H9	112.8°	110.3°
C7	C6	H10	112.7°	110.3°
C6	C7	H11	112.4°	111.0°
C6	C7	H12	112.4°	111.0°
H9	C6	H10	106.0°	110.2°
H11	C7	H12	106.4°	110.9°
C9	C8	H13	108.6°	109.5°
C9	C8	H14	108.6°	109.5°
C8	C9	C10	120.2°	120.0°
C8	C9	O2	120.5°	120.0°
H13	C8	H14	110.3°	109.5°
C10	C9	O2	119.3°	120.0°
C9	C10	H15	109.5°	109.5°
C9	C10	H16	109.5°	109.5°
C9	C10	H17	109.5°	109.5°
H15	C10	H16	109.5°	109.5°
H15	C10	H17	109.4°	109.5°
H16	C10	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H18	120.0°	124.0°
N1	C1	C2	C4	121.3°	120.0°
N1	C1	C2	H2	120.1°	120.0°
N1	C1	C4	H2	120.1°	120.0°
N1	C1	C2	C3	69.3°	65.0°
N1	C1	C2	H3	50.8°	55.0°
N1	C1	C2	H4	170.7°	175.0°
N1	C1	C4	C8	60.0°	65.0°
N1	C1	C4	H6	180.0°	175.0°
N1	C1	C4	H7	60.0°	55.0°
H1	N1	C1	C2	180.0°	176.1°
H1	N1	C1	C4	57.1°	63.9°
H1	N1	C1	H2	61.6°	56.1°
C2	C1	C4	H2	118.3°	120.0°
C1	C2	C3	H3	120.0°	120.0°
C1	C2	C3	H4	120.0°	120.1°
C1	C2	H3	H4	117.0°	120.0°
C1	C2	C3	C5	169.4°	66.4°
C1	C2	C3	C7	52.9°	178.8°
C1	C2	C3	H5	65.8°	56.1°
C2	C1	C4	C8	178.4°	175.0°
C2	C1	C4	H6	58.4°	55.0°
C2	C1	C4	H7	61.6°	65.0°
C2	C1	N1	H18	60.0°	60.0°
C4	C1	C2	C3	169.5°	175.0°
C4	C1	C2	H3	70.5°	65.0°
C4	C1	C2	H4	49.5°	55.0°
C1	C4	C8	H6	120.0°	120.0°
C1	C4	C8	H7	120.0°	120.0°
C1	C4	H6	H7	119.6°	120.0°
C1	C4	C8	C9	88.4°	180.0°
C1	C4	C8	H13	151.6°	60.0°
C1	C4	C8	H14	31.6°	60.0°
C4	C1	N1	H18	62.8°	60.0°
H2	C1	C2	C3	50.8°	55.0°
H2	C1	C2	H3	170.8°	174.9°
H2	C1	C2	H4	69.2°	65.1°
H2	C1	C4	C8	60.1°	55.0°
H2	C1	C4	H6	59.9°	65.1°
H2	C1	C4	H7	179.9°	175.0°
H2	C1	N1	H18	178.4°	180.0°
C3	C2	H3	H4	117.0°	120.0°
C2	C3	C5	C7	128.2°	118.7°
C2	C3	C5	H5	112.1°	122.5°
C2	C3	C7	H5	111.6°	122.5°
C2	C3	C5	O1	24.7°	77.5°
C2	C3	C5	N2	155.3°	102.5°
C2	C3	C7	C6	165.4°	93.9°
C2	C3	C7	H11	45.4°	24.2°
C2	C3	C7	H12	74.6°	148.0°
H3	C2	C3	C5	70.6°	53.5°
H3	C2	C3	C7	172.9°	61.3°
H3	C2	C3	H5	54.2°	176.1°
H4	C2	C3	C5	49.4°	173.5°
H4	C2	C3	C7	67.1°	58.7°
H4	C2	C3	H5	174.2°	63.9°
C5	C3	C7	H5	125.3°	118.8°
C3	C5	O1	N2	180.0°	180.0°
C3	C5	N2	C6	0.2°	0.4°
C3	C5	N2	H8	179.9°	179.6°
C5	C3	C7	C6	42.4°	24.8°
C5	C3	C7	H11	77.6°	142.9°
C5	C3	C7	H12	162.4°	93.3°
C7	C3	C5	O1	152.9°	163.8°
C7	C3	C5	N2	27.1°	16.2°
C3	C7	C6	N2	42.5°	25.4°
C3	C7	C6	H11	120.0°	118.1°
C3	C7	C6	H12	120.0°	118.0°
C3	C7	C6	H9	77.5°	144.4°
C3	C7	C6	H10	162.5°	93.6°
C3	C7	H11	H12	123.4°	123.7°
H5	C3	C5	O1	87.3°	44.9°
H5	C3	C5	N2	92.6°	135.1°
H5	C3	C7	C6	83.0°	143.6°
H5	C3	C7	H11	157.0°	98.3°
H5	C3	C7	H12	37.1°	25.5°
C8	C4	H6	H7	119.7°	120.0°
C4	C8	C9	H13	120.0°	120.0°
C4	C8	C9	H14	120.0°	120.0°
C4	C8	H13	H14	118.9°	120.0°
C4	C8	C9	C10	159.0°	180.0°
C4	C8	C9	O2	21.3°	0.0°
H6	C4	C8	C9	31.6°	60.0°
H6	C4	C8	H13	88.4°	180.0°
H6	C4	C8	H14	151.6°	60.1°
H7	C4	C8	C9	151.6°	60.0°
H7	C4	C8	H13	31.6°	60.0°
H7	C4	C8	H14	88.4°	180.0°
O1	C5	N2	C6	179.9°	179.6°
O1	C5	N2	H8	0.1°	0.4°
C5	N2	C6	H8	180.0°	180.0°
C5	N2	C6	C7	26.9°	17.0°
C5	N2	C6	H9	93.1°	136.0°
C5	N2	C6	H10	146.9°	102.0°
N2	C6	C7	H9	120.0°	119.0°
N2	C6	C7	H10	120.0°	119.0°
N2	C6	H9	H10	123.8°	121.9°
N2	C6	C7	H11	77.5°	143.5°
N2	C6	C7	H12	162.5°	92.7°
H8	N2	C6	C7	153.0°	163.0°
H8	N2	C6	H9	87.0°	44.0°
H8	N2	C6	H10	33.0°	77.9°
C7	C6	H9	H10	123.8°	122.0°
C6	C7	H11	H12	123.4°	123.9°
H9	C6	C7	H11	162.5°	97.5°
H9	C6	C7	H12	42.5°	26.3°
H10	C6	C7	H11	42.5°	24.5°
H10	C6	C7	H12	77.5°	148.3°
C9	C8	H13	H14	118.9°	120.0°
C8	C9	C10	O2	179.8°	180.0°
C8	C9	C10	H15	179.8°	0.0°
C8	C9	C10	H16	59.7°	120.0°
C8	C9	C10	H17	60.3°	120.0°
H13	C8	C9	C10	81.0°	60.0°
H13	C8	C9	O2	98.7°	120.0°
H14	C8	C9	C10	38.9°	60.0°
H14	C8	C9	O2	141.3°	120.0°
C9	C10	H15	H16	120.0°	120.0°
C9	C10	H15	H17	120.0°	120.1°
C9	C10	H16	H17	120.0°	120.0°
O2	C9	C10	H15	0.0°	180.0°
O2	C9	C10	H16	120.0°	60.0°
O2	C9	C10	H17	120.0°	59.9°
H15	C10	H16	H17	120.0°	120.0°

Definition date:	2010-11-17
Last modified:	2012-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	2ZU3