19Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C21	sing	1.53Å	1.51Å
O20	C19	doub	1.21Å	1.23Å
C21	C1	sing	1.51Å	1.51Å
C19	C5	sing	1.42Å	1.49Å
C1	C5	doub	1.37Å	1.47Å	Aromatic
C1	N2	sing	1.36Å	1.36Å	Aromatic
C5	C4	sing	1.47Å	1.48Å	Aromatic
N2	C3	sing	1.37Å	1.35Å	Aromatic
C4	C3	doub	1.40Å	1.48Å	Aromatic
C4	C6	sing	1.40Å	1.48Å	Aromatic
O17	C6	sing	1.35Å	1.37Å
O17	C18	sing	1.43Å	1.44Å
C3	N9	sing	1.33Å	1.36Å	Aromatic
C6	N7	doub	1.33Å	1.36Å	Aromatic
N9	C8	doub	1.32Å	1.37Å	Aromatic
N7	C8	sing	1.33Å	1.37Å	Aromatic
C8	S10	sing	1.76Å	1.72Å
C12	N13	doub	1.32Å	1.35Å	Aromatic
C12	C11	sing	1.39Å	1.41Å	Aromatic
S10	C11	sing	1.76Å	1.71Å
N13	C14	sing	1.32Å	1.34Å	Aromatic
C11	C16	doub	1.39Å	1.40Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
C19	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.09Å	1.10Å
C21	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.09Å	1.10Å
C22	H5	sing	1.09Å	1.10Å
C22	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
N2	H10	sing	0.97Å	1.00Å
C16	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C21	C1	110.9°	109.4°
C22	C21	H2	109.1°	109.4°
C22	C21	H3	109.1°	109.5°
C21	C22	H4	109.5°	109.5°
C21	C22	H5	109.4°	109.5°
C21	C22	H6	109.5°	109.5°
O20	C19	C5	121.5°	120.0°
O20	C19	H1	119.3°	120.1°
C21	C1	C5	127.0°	125.2°
C21	C1	N2	127.2°	125.2°
C1	C21	H2	109.1°	109.5°
C1	C21	H3	109.1°	109.5°
C19	C5	C1	130.1°	126.9°
C19	C5	C4	122.2°	126.9°
C5	C19	H1	119.2°	119.9°
C5	C1	N2	105.8°	109.6°
C1	C5	C4	107.7°	106.2°
C1	N2	C3	114.3°	110.6°
C1	N2	H10	122.9°	124.7°
C5	C4	C3	103.9°	106.0°
C5	C4	C6	138.6°	135.0°
N2	C3	C4	108.3°	107.5°
N2	C3	N9	132.8°	133.9°
C3	N2	H10	122.9°	124.7°
C3	C4	C6	117.4°	119.0°
C4	C3	N9	118.9°	118.6°
C4	C6	O17	122.1°	120.7°
C4	C6	N7	117.3°	118.5°
C6	O17	C18	116.8°	117.0°
O17	C6	N7	120.5°	120.7°
O17	C18	H7	109.5°	109.5°
O17	C18	H8	109.4°	109.4°
O17	C18	H9	109.5°	109.4°
C3	N9	C8	122.2°	120.6°
C6	N7	C8	124.0°	120.9°
N9	C8	N7	120.1°	122.5°
N9	C8	S10	121.8°	118.8°
N7	C8	S10	118.1°	118.8°
C8	S10	C11	108.5°	100.0°
N13	C12	C11	122.5°	120.7°
C12	N13	C14	120.1°	121.8°
N13	C12	H14	118.8°	119.7°
C12	C11	S10	121.2°	120.5°
C12	C11	C16	117.9°	119.0°
C11	C12	H14	118.8°	119.6°
S10	C11	C16	120.9°	120.5°
N13	C14	C15	120.1°	121.0°
N13	C14	H13	120.0°	119.5°
C11	C16	C15	118.4°	118.4°
C11	C16	H11	120.8°	120.8°
C14	C15	C16	121.0°	119.2°
C14	C15	H12	119.5°	120.4°
C15	C14	H13	120.0°	119.5°
C15	C16	H11	120.7°	120.8°
C16	C15	H12	119.5°	120.4°
H2	C21	H3	109.4°	109.5°
H4	C22	H5	109.5°	109.5°
H4	C22	H6	109.4°	109.4°
H5	C22	H6	109.5°	109.4°
H7	C18	H8	109.5°	109.5°
H7	C18	H9	109.5°	109.5°
H8	C18	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C21	C1	H2	120.2°	120.0°
C22	C21	C1	H3	120.2°	120.0°
C22	C21	C1	C5	149.7°	85.0°
C22	C21	C1	N2	31.4°	95.0°
C22	C21	H2	H3	119.4°	120.0°
C21	C22	H4	H5	120.0°	120.0°
C21	C22	H4	H6	120.0°	120.0°
C21	C22	H5	H6	120.0°	120.0°
O20	C19	C5	H1	180.0°	179.7°
O20	C19	C5	C1	0.9°	179.7°
O20	C19	C5	C4	179.6°	0.0°
C21	C1	C5	C19	0.3°	0.1°
C21	C1	C5	N2	179.1°	180.0°
C21	C1	C5	C4	179.2°	179.8°
C21	C1	N2	C3	179.4°	179.8°
C1	C21	H2	H3	119.3°	120.0°
C1	C21	C22	H4	180.0°	60.0°
C1	C21	C22	H5	60.0°	60.0°
C1	C21	C22	H6	60.0°	180.0°
C21	C1	N2	H10	0.6°	0.0°
C19	C5	C1	C4	179.5°	179.7°
C19	C5	C1	N2	179.5°	180.0°
C19	C5	C4	C3	179.7°	179.9°
C19	C5	C4	C6	0.4°	0.0°
C5	C1	N2	C3	0.3°	0.2°
C1	C5	C4	C3	0.2°	0.2°
C1	C5	C4	C6	180.0°	179.7°
C1	C5	C19	H1	179.1°	0.6°
C5	C1	C21	H2	90.1°	155.0°
C5	C1	C21	H3	29.4°	34.9°
C5	C1	N2	H10	179.7°	180.0°
N2	C1	C5	C4	0.1°	0.3°
C1	N2	C3	H10	180.0°	179.8°
C1	N2	C3	C4	0.4°	0.0°
C1	N2	C3	N9	180.0°	179.8°
N2	C1	C21	H2	88.9°	25.0°
N2	C1	C21	H3	151.6°	145.0°
C5	C4	C3	N2	0.3°	0.1°
C5	C4	C3	C6	179.9°	179.9°
C5	C4	C6	O17	0.3°	0.1°
C5	C4	C3	N9	180.0°	180.0°
C5	C4	C6	N7	179.9°	180.0°
C4	C5	C19	H1	0.4°	179.8°
N2	C3	C4	N9	179.6°	179.9°
N2	C3	C4	C6	179.8°	179.8°
N2	C3	N9	C8	179.8°	179.8°
C3	C4	C6	O17	179.8°	180.0°
C3	C4	C6	N7	0.3°	0.1°
C4	C3	N9	C8	0.3°	0.0°
C4	C3	N2	H10	179.6°	179.9°
C4	C6	O17	N7	179.5°	179.9°
C4	C6	O17	C18	146.0°	180.0°
C6	C4	C3	N9	0.1°	0.1°
C4	C6	N7	C8	0.7°	0.1°
O17	C6	N7	C8	179.8°	180.0°
C6	O17	C18	H7	180.0°	180.0°
C6	O17	C18	H8	60.0°	60.1°
C6	O17	C18	H9	60.0°	59.9°
C18	O17	C6	N7	33.5°	0.1°
O17	C18	H7	H8	120.0°	119.9°
O17	C18	H7	H9	120.0°	120.0°
O17	C18	H8	H9	120.0°	120.0°
C3	N9	C8	N7	0.7°	0.0°
C3	N9	C8	S10	179.7°	180.0°
N9	C3	N2	H10	0.0°	0.0°
C6	N7	C8	N9	0.9°	0.0°
C6	N7	C8	S10	179.9°	180.0°
N9	C8	N7	S10	179.1°	180.0°
N9	C8	S10	C11	166.1°	174.8°
N7	C8	S10	C11	13.0°	5.2°
C8	S10	C11	C12	140.1°	85.4°
C8	S10	C11	C16	38.8°	95.0°
N13	C12	C11	H14	180.0°	179.3°
N13	C12	C11	S10	179.6°	179.7°
N13	C12	C11	C16	0.8°	0.6°
C12	N13	C14	C15	0.1°	0.3°
C12	N13	C14	H13	179.8°	179.7°
C12	C11	S10	C16	178.9°	179.6°
C11	C12	N13	C14	0.5°	0.6°
C12	C11	C16	C15	0.6°	0.3°
C12	C11	C16	H11	179.4°	179.8°
S10	C11	C16	C15	179.5°	180.0°
S10	C11	C16	H11	0.5°	0.2°
S10	C11	C12	H14	0.3°	0.4°
N13	C14	C15	H13	180.0°	180.0°
N13	C14	C15	C16	0.0°	0.0°
N13	C14	C15	H12	179.9°	179.9°
C14	N13	C12	H14	179.5°	179.9°
C11	C16	C15	C14	0.3°	0.0°
C11	C16	C15	H11	180.0°	179.9°
C11	C16	C15	H12	179.7°	179.9°
C16	C11	C12	H14	179.2°	179.9°
C14	C15	C16	H12	180.0°	180.0°
C14	C15	C16	H11	179.7°	179.9°
C16	C15	C14	H13	180.0°	180.0°
H2	C21	C22	H4	59.8°	180.0°
H2	C21	C22	H5	60.2°	60.0°
H2	C21	C22	H6	179.7°	60.0°
H3	C21	C22	H4	59.8°	60.0°
H3	C21	C22	H5	179.8°	180.0°
H3	C21	C22	H6	60.2°	60.0°
H4	C22	H5	H6	120.0°	119.9°
H7	C18	H8	H9	120.0°	120.1°
H11	C16	C15	H12	0.3°	0.1°
H12	C15	C14	H13	0.1°	0.1°

Release date:	2013-02-08
Definition date:	2012-11-13
Last modified:	2013-02-08
Release status:	REL
Processing site:	RCSB
Derived from:	4HXZ