UWY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	N2	doub	1.31Å	1.35Å	Aromatic
C10	C3	sing	1.40Å	1.43Å	Aromatic
N2	N	sing	1.40Å	1.34Å	Aromatic
N1	C3	sing	1.41Å	1.38Å
N1	C4	sing	1.35Å	1.41Å
C3	C2	doub	1.36Å	1.40Å	Aromatic
C5	C4	sing	1.51Å	1.54Å
C5	C9	sing	1.54Å	1.53Å
C5	C6	sing	1.54Å	1.53Å
N	C2	sing	1.36Å	1.39Å	Aromatic
N	C1	sing	1.47Å	1.46Å
C7	C8	sing	1.55Å	1.55Å
C7	C6	sing	1.55Å	1.54Å
C8	C9	sing	1.54Å	1.53Å
C4	O	doub	1.21Å	1.22Å
C1	C	sing	1.53Å	1.52Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.08Å	1.08Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.08Å	1.08Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C10	C3	110.8°	108.3°
C10	N2	N	105.6°	108.4°
N2	C10	H9	124.6°	125.8°
C10	C3	N1	122.8°	126.1°
C10	C3	C2	105.2°	107.8°
C3	C10	H9	124.6°	125.8°
N2	N	C2	113.4°	107.9°
N2	N	C1	120.1°	126.0°
C3	N1	C4	128.4°	120.0°
N1	C3	C2	131.9°	126.1°
C3	N1	H1	115.8°	120.0°
N1	C4	C5	114.0°	120.0°
N1	C4	O	123.0°	120.0°
C4	N1	H1	115.8°	120.0°
C3	C2	N	105.0°	107.6°
C3	C2	H15	127.5°	126.2°
C4	C5	C9	113.2°	110.1°
C4	C5	C6	110.6°	110.0°
C5	C4	O	122.8°	120.0°
C4	C5	H2	110.0°	110.0°
C9	C5	C6	102.8°	106.6°
C5	C9	C8	104.4°	106.6°
C9	C5	H2	110.0°	110.0°
C5	C9	H16	110.7°	110.1°
C5	C9	H17	110.7°	110.0°
C5	C6	C7	103.6°	104.2°
C6	C5	H2	110.1°	110.1°
C5	C6	H3	110.9°	110.5°
C5	C6	H4	110.9°	110.5°
C2	N	C1	126.5°	126.1°
N	C2	H15	127.5°	126.2°
N	C1	C	108.1°	109.5°
N	C1	H13	109.8°	109.5°
N	C1	H14	109.8°	109.4°
C8	C7	C6	106.0°	102.8°
C7	C8	C9	105.9°	104.2°
C8	C7	H5	110.3°	110.8°
C8	C7	H6	110.3°	110.7°
C7	C8	H7	110.3°	110.5°
C7	C8	H8	110.4°	110.5°
C7	C6	H3	110.9°	110.5°
C7	C6	H4	110.9°	110.6°
C6	C7	H5	110.3°	110.8°
C6	C7	H6	110.3°	110.7°
C9	C8	H7	110.4°	110.5°
C9	C8	H8	110.3°	110.5°
C8	C9	H16	110.7°	110.0°
C8	C9	H17	110.7°	110.0°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C	C1	H13	109.8°	109.5°
C	C1	H14	109.8°	109.5°
H3	C6	H4	109.4°	110.4°
H5	C7	H6	109.5°	110.8°
H7	C8	H8	109.5°	110.5°
H10	C	H11	109.4°	109.5°
H10	C	H12	109.4°	109.5°
H11	C	H12	109.5°	109.5°
H13	C1	H14	109.5°	109.4°
H16	C9	H17	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C10	C3	H9	180.0°	179.7°
N2	C10	C3	N1	178.0°	179.9°
N2	C10	C3	C2	0.7°	0.0°
C10	N2	N	C2	0.5°	0.0°
C10	N2	N	C1	177.9°	180.0°
C3	C10	N2	N	0.2°	0.0°
C10	C3	N1	C2	176.5°	179.9°
C10	C3	N1	C4	167.1°	0.1°
C10	C3	C2	N	1.0°	0.0°
C10	C3	N1	H1	12.9°	179.7°
C10	C3	C2	H15	179.0°	180.0°
N2	N	C2	C3	0.9°	0.0°
N2	N	C2	C1	178.3°	180.0°
N2	N	C1	C	77.4°	55.1°
N	N2	C10	H9	179.8°	179.7°
N2	N	C1	H13	42.4°	65.0°
N2	N	C1	H14	162.8°	175.0°
N2	N	C2	H15	179.0°	180.0°
C3	N1	C4	H1	180.0°	179.8°
C3	N1	C4	C5	179.1°	180.0°
N1	C3	C2	N	177.9°	179.9°
C3	N1	C4	O	5.2°	0.1°
N1	C3	C10	H9	2.0°	0.4°
N1	C3	C2	H15	2.1°	0.1°
C4	N1	C3	C2	9.4°	180.0°
N1	C4	C5	O	175.8°	179.9°
N1	C4	C5	C9	96.2°	180.0°
N1	C4	C5	C6	149.0°	62.8°
N1	C4	C5	H2	27.3°	58.6°
C3	C2	N	H15	180.0°	180.0°
C3	C2	N	C1	177.3°	180.0°
C2	C3	N1	H1	170.6°	0.2°
C2	C3	C10	H9	179.3°	179.7°
C4	C5	C9	C6	119.3°	119.3°
C4	C5	C9	H2	123.5°	121.4°
C4	C5	C6	H2	121.7°	121.4°
C4	C5	C6	C7	161.5°	142.9°
C4	C5	C9	C8	158.6°	119.3°
C5	C4	N1	H1	0.9°	0.2°
C4	C5	C6	H3	42.4°	24.2°
C4	C5	C6	H4	79.5°	98.3°
C4	C5	C9	H16	82.2°	121.4°
C4	C5	C9	H17	39.4°	0.0°
C9	C5	C6	H2	117.2°	119.3°
C5	C9	C8	C7	22.9°	23.6°
C9	C5	C6	C7	40.4°	23.6°
C5	C9	C8	H16	119.2°	119.3°
C5	C9	C8	H17	119.2°	119.3°
C9	C5	C4	O	88.0°	0.0°
C9	C5	C6	H3	78.7°	95.1°
C9	C5	C6	H4	159.4°	142.4°
C5	C9	C8	H7	142.3°	95.1°
C5	C9	C8	H8	96.6°	142.4°
C5	C9	H16	H17	122.3°	121.4°
C5	C6	C7	C8	26.3°	37.9°
C5	C6	C7	H3	119.1°	118.7°
C5	C6	C7	H4	119.1°	118.7°
C6	C5	C9	C8	39.3°	0.0°
C6	C5	C4	O	26.7°	117.2°
C5	C6	H3	H4	122.7°	122.5°
C5	C6	C7	H5	93.2°	156.3°
C5	C6	C7	H6	145.7°	80.4°
C6	C5	C9	H16	158.5°	119.3°
C6	C5	C9	H17	79.9°	119.3°
C2	N	C1	C	100.8°	125.0°
C2	N	C1	H13	139.5°	115.0°
C2	N	C1	H14	19.1°	5.0°
N	C1	C	H13	119.8°	120.1°
N	C1	C	H14	119.8°	120.0°
N	C1	C	H10	180.0°	180.0°
N	C1	C	H11	60.0°	60.0°
N	C1	C	H12	60.0°	60.0°
N	C1	H13	H14	120.6°	119.9°
C1	N	C2	H15	2.7°	0.0°
C8	C7	C6	H5	119.4°	118.4°
C8	C7	C6	H6	119.4°	118.3°
C7	C8	C9	H7	119.4°	118.7°
C7	C8	C9	H8	119.4°	118.7°
C8	C7	C6	H3	92.8°	80.7°
C8	C7	C6	H4	145.3°	156.7°
C8	C7	H5	H6	121.6°	123.3°
C7	C8	H7	H8	121.7°	122.7°
C7	C8	C9	H16	142.1°	95.7°
C7	C8	C9	H17	96.3°	142.9°
C6	C7	C8	C9	2.1°	37.9°
C7	C6	C5	H2	76.8°	95.7°
C7	C6	H3	H4	122.7°	122.7°
C6	C7	H5	H6	121.6°	123.3°
C6	C7	C8	H7	117.4°	80.7°
C6	C7	C8	H8	121.5°	156.6°
C8	C9	C5	H2	77.9°	119.3°
C9	C8	C7	H5	117.4°	156.3°
C9	C8	C7	H6	121.5°	80.4°
C9	C8	H7	H8	121.6°	122.5°
C8	C9	H16	H17	122.4°	121.4°
O	C4	N1	H1	174.8°	179.7°
O	C4	C5	H2	148.5°	121.4°
C1	C	H10	H11	120.0°	120.0°
C1	C	H10	H12	120.0°	120.0°
C1	C	H11	H12	120.0°	120.0°
C	C1	H13	H14	120.6°	120.0°
H2	C5	C6	H3	164.1°	145.6°
H2	C5	C6	H4	42.2°	23.1°
H2	C5	C9	H16	41.3°	0.0°
H2	C5	C9	H17	162.9°	121.4°
H3	C6	C7	H5	147.7°	37.6°
H3	C6	C7	H6	26.6°	160.9°
H4	C6	C7	H5	25.9°	85.0°
H4	C6	C7	H6	95.2°	38.3°
H5	C7	C8	H7	123.2°	37.6°
H5	C7	C8	H8	2.1°	85.0°
H6	C7	C8	H7	2.1°	161.0°
H6	C7	C8	H8	119.1°	38.3°
H7	C8	C9	H16	98.5°	145.6°
H7	C8	C9	H17	23.1°	24.2°
H8	C8	C9	H16	22.6°	23.0°
H8	C8	C9	H17	144.3°	98.4°
H10	C	H11	H12	119.9°	120.0°
H10	C	C1	H13	60.2°	59.9°
H10	C	C1	H14	60.2°	60.0°
H11	C	C1	H13	179.8°	180.0°
H11	C	C1	H14	59.8°	60.0°
H12	C	C1	H13	59.8°	60.0°
H12	C	C1	H14	179.8°	180.0°

Release date:	2020-06-17
Definition date:	2020-06-03
Last modified:	2020-06-12
Release status:	REL
Processing site:	RCSB
Derived from:	5RKJ