U1I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C11	sing	1.49Å	1.46Å
N	C10	sing	1.48Å	1.46Å
C11	C12	sing	1.55Å	1.53Å
C12	C7	sing	1.55Å	1.55Å
C10	C7	sing	1.54Å	1.55Å
C3	C2	doub	1.38Å	1.38Å	Aromatic
C3	C6	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.54Å
C7	C8	sing	1.51Å	1.54Å
C2	C1	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C1	C	sing	1.51Å	1.51Å
C1	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C8	O1	doub	1.21Å	1.20Å
C8	O	sing	1.34Å	1.33Å
O	C9	sing	1.45Å	1.45Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
N	H5	sing	1.01Å	1.00Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.08Å	1.08Å
C3	H15	sing	1.08Å	1.08Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N	C10	104.9°	105.8°
N	C11	C12	105.2°	103.3°
C11	N	H5	110.6°	111.0°
N	C11	H10	110.5°	110.7°
N	C11	H11	110.5°	110.7°
N	C10	C7	109.9°	107.1°
N	C10	H3	109.4°	109.9°
N	C10	H4	109.4°	110.1°
C10	N	H5	110.6°	111.0°
C11	C12	C7	105.3°	102.9°
C12	C11	H10	110.6°	110.5°
C12	C11	H11	110.5°	110.7°
C11	C12	H12	110.5°	110.7°
C11	C12	H13	110.5°	110.7°
C12	C7	C10	101.8°	105.2°
C12	C7	C6	112.7°	110.3°
C12	C7	C8	111.0°	110.3°
C7	C12	H12	110.5°	110.7°
C7	C12	H13	110.5°	110.9°
C10	C7	C6	113.7°	110.3°
C10	C7	C8	107.9°	110.3°
C7	C10	H3	109.3°	109.9°
C7	C10	H4	109.4°	109.9°
C2	C3	C6	120.9°	120.0°
C3	C2	C1	121.2°	120.0°
C3	C2	H14	119.4°	119.9°
C2	C3	H15	119.5°	120.0°
C3	C6	C7	122.4°	120.0°
C3	C6	C5	117.7°	120.0°
C6	C3	H15	119.6°	120.0°
C6	C7	C8	109.5°	110.3°
C7	C6	C5	119.9°	120.0°
C7	C8	O1	124.7°	120.0°
C7	C8	O	111.7°	120.0°
C2	C1	C	121.0°	120.0°
C2	C1	C4	117.9°	120.0°
C1	C2	H14	119.4°	120.1°
C6	C5	C4	121.0°	120.0°
C6	C5	H2	119.5°	120.0°
C	C1	C4	121.1°	120.0°
C1	C	H7	109.5°	109.5°
C1	C	H8	109.5°	109.4°
C1	C	H9	109.5°	109.4°
C1	C4	C5	121.2°	120.0°
C1	C4	H1	119.4°	120.0°
C5	C4	H1	119.4°	119.9°
C4	C5	H2	119.5°	120.0°
O1	C8	O	123.6°	120.0°
C8	O	C9	116.5°	117.0°
O	C9	H16	109.5°	109.5°
O	C9	H17	109.5°	109.4°
O	C9	H18	109.5°	109.4°
H3	C10	H4	109.5°	109.9°
H7	C	H8	109.5°	109.5°
H7	C	H9	109.4°	109.5°
H8	C	H9	109.5°	109.5°
H10	C11	H11	109.5°	110.8°
H12	C12	H13	109.5°	110.8°
H16	C9	H17	109.4°	109.5°
H16	C9	H18	109.5°	109.5°
H17	C9	H18	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	N	C10	H5	119.3°	120.5°
N	C11	C12	H10	119.3°	118.4°
N	C11	C12	H11	119.3°	118.5°
N	C11	C12	C7	33.1°	37.3°
C11	N	C10	C7	26.0°	25.3°
C11	N	C10	H3	146.1°	94.0°
C11	N	C10	H4	94.0°	144.8°
N	C11	H10	H11	122.0°	123.2°
N	C11	C12	H12	152.4°	81.0°
N	C11	C12	H13	86.2°	155.8°
C10	N	C11	C12	36.2°	39.1°
N	C10	C7	C12	5.3°	1.3°
N	C10	C7	H3	120.1°	119.3°
N	C10	C7	H4	120.0°	119.5°
N	C10	C7	C6	116.2°	117.7°
N	C10	C7	C8	122.2°	120.2°
N	C10	H3	H4	119.8°	121.3°
C10	N	C11	H10	83.1°	79.2°
C10	N	C11	H11	155.5°	157.6°
C11	C12	C7	H12	119.3°	118.3°
C11	C12	C7	H13	119.3°	118.4°
C11	C12	C7	C10	16.5°	21.8°
C11	C12	C7	C6	138.7°	140.8°
C11	C12	C7	C8	98.1°	97.1°
C12	C11	N	H5	83.0°	81.3°
C12	C11	H10	H11	122.0°	123.1°
C11	C12	H12	H13	121.9°	123.3°
C12	C7	C10	C6	121.5°	119.0°
C12	C7	C10	C8	116.9°	118.9°
C12	C7	C6	C3	105.6°	64.3°
C12	C7	C6	C8	124.1°	122.0°
C12	C7	C6	C5	74.5°	115.9°
C12	C7	C8	O1	2.3°	1.4°
C12	C7	C8	O	178.3°	178.6°
C12	C7	C10	H3	125.3°	118.0°
C12	C7	C10	H4	114.8°	120.8°
C7	C12	C11	H10	86.2°	81.1°
C7	C12	C11	H11	152.4°	155.8°
C7	C12	H12	H13	122.0°	123.4°
C10	C7	C6	C3	9.7°	51.6°
C10	C7	C6	C8	120.7°	122.1°
C10	C7	C6	C5	170.2°	128.3°
C10	C7	C8	O1	108.5°	117.2°
C10	C7	C8	O	71.0°	62.8°
C7	C10	H3	H4	119.8°	121.1°
C7	C10	N	H5	93.3°	95.1°
C10	C7	C12	H12	135.8°	96.5°
C10	C7	C12	H13	102.8°	140.2°
C2	C3	C6	H15	180.0°	179.8°
C2	C3	C6	C7	178.8°	179.7°
C3	C2	C1	H14	180.0°	180.0°
C2	C3	C6	C5	1.1°	0.1°
C3	C2	C1	C	177.2°	180.0°
C3	C2	C1	C4	0.8°	0.0°
C3	C6	C7	C5	179.9°	179.8°
C3	C6	C7	C8	130.4°	173.7°
C6	C3	C2	C1	0.2°	0.2°
C3	C6	C5	C4	1.0°	0.2°
C3	C6	C5	H2	179.0°	180.0°
C6	C3	C2	H14	179.8°	179.8°
C7	C6	C5	C4	178.9°	180.0°
C6	C7	C8	O1	127.3°	120.6°
C6	C7	C8	O	53.3°	59.3°
C7	C6	C5	H2	1.1°	0.1°
C6	C7	C10	H3	3.8°	123.0°
C6	C7	C10	H4	123.8°	1.9°
C6	C7	C12	H12	102.0°	22.5°
C6	C7	C12	H13	19.4°	100.8°
C7	C6	C3	H15	1.2°	0.1°
C8	C7	C6	C5	49.5°	6.1°
C7	C8	O1	O	179.4°	180.0°
C7	C8	O	C9	159.2°	180.0°
C8	C7	C10	H3	117.8°	0.9°
C8	C7	C10	H4	2.1°	120.3°
C8	C7	C12	H12	21.2°	144.6°
C8	C7	C12	H13	142.6°	21.3°
C2	C1	C	C4	178.0°	179.9°
C2	C1	C4	C5	0.8°	0.3°
C2	C1	C4	H1	179.1°	180.0°
C2	C1	C	H7	89.0°	90.0°
C2	C1	C	H8	151.0°	30.1°
C2	C1	C	H9	31.0°	150.0°
C1	C2	C3	H15	179.8°	180.0°
C6	C5	C4	C1	0.1°	0.4°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	179.9°	179.9°
C5	C6	C3	H15	178.9°	179.9°
C	C1	C4	C5	177.2°	179.7°
C	C1	C4	H1	2.8°	0.1°
C1	C	H7	H8	120.0°	120.0°
C1	C	H7	H9	120.0°	120.0°
C1	C	H8	H9	120.0°	119.9°
C	C1	C2	H14	2.8°	0.0°
C1	C4	C5	H1	180.0°	179.7°
C1	C4	C5	H2	179.9°	179.7°
C4	C1	C	H7	89.0°	90.0°
C4	C1	C	H8	31.0°	150.0°
C4	C1	C	H9	151.0°	30.1°
C4	C1	C2	H14	179.2°	179.9°
O1	C8	O	C9	20.3°	0.0°
C8	O	C9	H16	180.0°	60.0°
C8	O	C9	H17	60.0°	60.0°
C8	O	C9	H18	60.0°	180.0°
O	C9	H16	H17	120.0°	120.0°
O	C9	H16	H18	120.1°	120.0°
O	C9	H17	H18	120.0°	119.9°
H1	C4	C5	H2	0.0°	0.1°
H3	C10	N	H5	26.8°	145.5°
H4	C10	N	H5	146.7°	24.3°
H5	N	C11	H10	157.6°	160.4°
H5	N	C11	H11	36.3°	37.1°
H7	C	H8	H9	120.0°	120.1°
H10	C11	C12	H12	33.1°	160.6°
H10	C11	C12	H13	154.4°	37.4°
H11	C11	C12	H12	88.2°	37.5°
H11	C11	C12	H13	33.1°	85.7°
H14	C2	C3	H15	0.2°	0.1°
H16	C9	H17	H18	120.0°	120.1°

Release date:	2023-11-29
Definition date:	2023-08-29
Last modified:	2023-11-24
Release status:	REL
Processing site:	RCSB
Derived from:	7GPR