CRZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C1	sing	1.34Å	1.22Å
O19	H19	sing	0.97Å	0.95Å
C1	O18	doub	1.21Å	1.33Å
C1	C2	sing	1.51Å	1.51Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.54Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	N5	sing	1.46Å	1.47Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
N5	C6	sing	1.38Å	1.37Å	Aromatic
N5	C9	sing	1.38Å	1.37Å	Aromatic
C6	C17	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.40Å	1.48Å	Aromatic
C17	C16	sing	1.38Å	1.41Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C7	C14	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.47Å	1.45Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	doub	1.39Å	1.40Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
C8	C9	doub	1.40Å	1.48Å	Aromatic
C8	C13	sing	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C13	C12	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C12	C11	sing	1.39Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C11	H11	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O19	H19	118.2°	120.0°
O19	C1	O18	118.2°	120.0°
O19	C1	C2	121.2°	120.0°
O18	C1	C2	120.7°	120.0°
C1	C2	C3	112.2°	109.5°
C1	C2	H21	111.2°	109.5°
C1	C2	H22	111.2°	109.5°
C3	C2	H21	111.2°	109.5°
C3	C2	H22	111.2°	109.5°
C2	C3	C4	113.3°	109.4°
C2	C3	H31	110.8°	109.5°
C2	C3	H32	110.8°	109.5°
H21	C2	H22	99.1°	109.5°
C4	C3	H31	110.8°	109.4°
C4	C3	H32	110.8°	109.4°
C3	C4	N5	113.1°	109.4°
C3	C4	H41	110.9°	109.4°
C3	C4	H42	110.9°	109.4°
H31	C3	H32	99.5°	109.6°
N5	C4	H41	110.8°	109.5°
N5	C4	H42	110.8°	109.5°
C4	N5	C6	124.5°	124.9°
C4	N5	C9	123.1°	124.8°
H41	C4	H42	99.5°	109.5°
C6	N5	C9	112.3°	110.3°
N5	C6	C17	135.7°	132.3°
N5	C6	C7	107.3°	108.4°
N5	C9	C8	107.7°	108.4°
N5	C9	C10	135.1°	132.3°
C17	C6	C7	117.0°	119.3°
C6	C17	C16	119.4°	120.1°
C6	C17	H17	120.0°	120.0°
C6	C7	C14	123.4°	120.1°
C6	C7	C8	106.4°	106.5°
C16	C17	H17	120.7°	119.9°
C17	C16	C15	122.1°	120.6°
C17	C16	H16	118.9°	119.8°
C14	C7	C8	130.3°	133.4°
C7	C14	C15	116.9°	119.8°
C7	C14	H14	121.1°	120.2°
C7	C8	C9	106.2°	106.5°
C7	C8	C13	130.3°	133.5°
C15	C14	H14	122.0°	120.0°
C14	C15	C16	121.2°	120.2°
C14	C15	H15	119.3°	119.9°
C16	C15	H15	119.5°	119.9°
C15	C16	H16	118.9°	119.7°
C9	C8	C13	123.5°	120.1°
C8	C9	C10	117.2°	119.3°
C8	C13	C12	116.5°	119.8°
C8	C13	H13	121.6°	120.1°
C9	C10	C11	118.8°	120.1°
C9	C10	H10	120.6°	120.0°
C11	C10	H10	120.6°	119.9°
C10	C11	C12	122.8°	120.6°
C10	C11	H11	118.5°	119.7°
C12	C13	H13	121.9°	120.1°
C13	C12	C11	121.3°	120.2°
C13	C12	H12	119.3°	119.9°
C11	C12	H12	119.5°	119.9°
C12	C11	H11	118.7°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C1	O18	C2	179.7°	180.0°
O19	C1	C2	C3	176.7°	180.0°
O19	C1	C2	H21	58.1°	60.0°
O19	C1	C2	H22	51.4°	60.0°
H19	O19	C1	O18	180.0°	0.0°
H19	O19	C1	C2	0.3°	180.0°
O18	C1	C2	C3	3.1°	0.0°
O18	C1	C2	H21	122.2°	120.0°
O18	C1	C2	H22	128.3°	120.0°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	117.1°	120.0°
C1	C2	C3	C4	76.7°	180.0°
C1	C2	C3	H31	48.6°	60.1°
C1	C2	C3	H32	158.0°	60.1°
C3	C2	H21	H22	117.1°	120.0°
C2	C3	C4	H31	125.3°	119.9°
C2	C3	C4	H32	125.3°	119.9°
C2	C3	H31	H32	116.6°	120.0°
C2	C3	C4	N5	51.1°	180.0°
C2	C3	C4	H41	74.2°	60.0°
C2	C3	C4	H42	176.3°	60.0°
H21	C2	C3	C4	158.0°	60.0°
H21	C2	C3	H31	76.7°	180.0°
H21	C2	C3	H32	32.7°	59.9°
H22	C2	C3	C4	48.6°	60.0°
H22	C2	C3	H31	173.9°	59.9°
H22	C2	C3	H32	76.7°	179.9°
C4	C3	H31	H32	116.7°	120.0°
C3	C4	N5	H41	125.3°	120.0°
C3	C4	N5	H42	125.2°	120.0°
C3	C4	H41	H42	116.8°	119.9°
C3	C4	N5	C6	97.1°	90.3°
C3	C4	N5	C9	85.8°	90.0°
H31	C3	C4	N5	176.4°	60.1°
H31	C3	C4	H41	51.1°	179.9°
H31	C3	C4	H42	58.4°	60.0°
H32	C3	C4	N5	74.2°	60.1°
H32	C3	C4	H41	160.6°	60.0°
H32	C3	C4	H42	51.1°	179.9°
N5	C4	H41	H42	116.7°	120.1°
C4	N5	C6	C9	177.4°	179.7°
C4	N5	C6	C17	2.8°	0.7°
C4	N5	C6	C7	178.2°	179.9°
C4	N5	C9	C8	178.0°	179.9°
C4	N5	C9	C10	2.6°	0.0°
H41	C4	N5	C6	28.1°	29.7°
H41	C4	N5	C9	148.9°	150.0°
H42	C4	N5	C6	137.6°	149.7°
H42	C4	N5	C9	39.4°	30.0°
N5	C6	C17	C7	178.9°	179.1°
N5	C6	C17	C16	179.2°	179.6°
N5	C6	C17	H17	0.8°	0.7°
N5	C6	C7	C14	179.8°	179.7°
N5	C6	C7	C8	0.8°	0.4°
C6	N5	C9	C8	0.5°	0.2°
C6	N5	C9	C10	180.0°	179.7°
C9	N5	C6	C17	179.8°	179.5°
C9	N5	C6	C7	0.9°	0.4°
N5	C9	C8	C7	0.0°	0.0°
N5	C9	C8	C10	179.5°	179.9°
N5	C9	C8	C13	179.9°	179.9°
N5	C9	C10	C11	180.0°	180.0°
N5	C9	C10	H10	0.0°	0.0°
C6	C17	C16	H17	180.0°	179.7°
C17	C6	C7	C14	0.6°	0.4°
C17	C6	C7	C8	180.0°	179.7°
C6	C17	C16	C15	0.4°	0.3°
C6	C17	C16	H16	179.7°	179.8°
C7	C6	C17	C16	0.3°	0.5°
C7	C6	C17	H17	179.7°	179.8°
C6	C7	C14	C8	179.2°	179.9°
C6	C7	C14	C15	0.9°	0.2°
C6	C7	C14	H14	179.1°	179.8°
C6	C7	C8	C9	0.5°	0.2°
C6	C7	C8	C13	179.6°	179.9°
C17	C16	C15	C14	0.6°	0.0°
C17	C16	C15	H16	180.0°	179.9°
C17	C16	C15	H15	179.4°	180.0°
H17	C17	C16	C15	179.7°	180.0°
H17	C17	C16	H16	0.3°	0.1°
C7	C14	C15	H14	180.0°	180.0°
C7	C14	C15	C16	0.9°	0.1°
C7	C14	C15	H15	179.1°	180.0°
C14	C7	C8	C9	179.9°	179.9°
C14	C7	C8	C13	0.3°	0.0°
C8	C7	C14	C15	179.9°	180.0°
C8	C7	C14	H14	0.1°	0.0°
C7	C8	C9	C13	179.9°	179.9°
C7	C8	C9	C10	179.5°	180.0°
C7	C8	C13	C12	180.0°	180.0°
C7	C8	C13	H13	0.0°	0.1°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	H16	179.4°	179.9°
H14	C14	C15	C16	179.1°	179.9°
H14	C14	C15	H15	0.9°	0.0°
H15	C15	C16	H16	0.6°	0.0°
C8	C9	C10	C11	0.6°	0.1°
C8	C9	C10	H10	179.4°	180.0°
C9	C8	C13	C12	0.2°	0.1°
C9	C8	C13	H13	179.8°	179.9°
C13	C8	C9	C10	0.3°	0.1°
C8	C13	C12	H13	180.0°	179.9°
C8	C13	C12	C11	0.5°	0.2°
C8	C13	C12	H12	179.5°	180.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.4°	0.1°
C9	C10	C11	H11	179.7°	180.0°
C10	C11	C12	C13	0.2°	0.2°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	H12	179.8°	180.0°
H10	C10	C11	C12	179.7°	179.9°
H10	C10	C11	H11	0.3°	0.1°
C13	C12	C11	H12	180.0°	179.8°
C13	C12	C11	H11	179.8°	180.0°
H13	C13	C12	C11	179.6°	179.9°
H13	C13	C12	H12	0.4°	0.1°
H12	C12	C11	H11	0.2°	0.1°

Definition date:	2004-06-22
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1TOW