A1I3V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
C1	C2	sing	1.55Å	1.52Å
C2	C3	sing	1.55Å	1.53Å
C3	C4	sing	1.55Å	1.53Å
C4	N	sing	1.49Å	1.47Å
N	C5	sing	1.48Å	1.51Å
C5	C6	sing	1.54Å	1.55Å
C3	C6	sing	1.55Å	1.55Å
C6	N1	sing	1.47Å	1.49Å
C1	N1	sing	1.47Å	1.48Å
N1	C7	sing	1.35Å	1.37Å
C7	O	doub	1.21Å	1.22Å
C8	C7	sing	1.51Å	1.55Å
C9	C8	sing	1.53Å	1.53Å
C10	C8	sing	1.53Å	1.53Å
C11	C8	sing	1.53Å	1.53Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
N	H9	sing	1.01Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	113.8°	110.4°
C	C1	N1	112.2°	110.4°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H2	109.5°	109.5°
C	C1	H3	109.5°	110.4°
C1	C2	C3	100.2°	102.2°
C2	C1	N1	101.7°	104.7°
C2	C1	H3	109.5°	110.4°
C1	C2	H4	111.8°	110.9°
C1	C2	H5	111.7°	110.9°
C2	C3	C4	114.3°	108.7°
C2	C3	C6	105.4°	103.3°
C3	C2	H4	111.7°	110.9°
C3	C2	H5	111.7°	110.7°
C2	C3	H6	110.8°	113.3°
C3	C4	N	106.1°	103.4°
C4	C3	C6	104.5°	103.1°
C3	C4	H7	110.3°	110.8°
C3	C4	H8	110.3°	110.5°
C4	C3	H6	110.9°	113.3°
C4	N	C5	103.5°	105.9°
N	C4	H7	110.3°	110.6°
N	C4	H8	110.3°	110.6°
C4	N	H9	111.0°	110.9°
N	C5	C6	104.3°	107.2°
N	C5	H10	110.7°	110.1°
N	C5	H11	110.8°	109.8°
C5	N	H9	110.9°	111.0°
C5	C6	C3	105.3°	104.9°
C5	C6	N1	117.7°	109.0°
C6	C5	H10	110.8°	109.9°
C6	C5	H11	110.7°	109.9°
C5	C6	H12	109.4°	111.6°
C3	C6	N1	104.4°	107.2°
C3	C6	H12	109.4°	112.3°
C6	C3	H6	110.6°	114.2°
C6	N1	C1	105.2°	108.8°
C6	N1	C7	126.6°	125.6°
N1	C6	H12	110.3°	111.5°
C1	N1	C7	128.3°	125.6°
N1	C1	H3	110.0°	110.4°
N1	C7	O	119.8°	120.0°
N1	C7	C8	122.3°	120.0°
O	C7	C8	117.9°	120.0°
C7	C8	C9	105.5°	109.5°
C7	C8	C10	112.7°	109.5°
C7	C8	C11	115.7°	109.5°
C9	C8	C10	106.8°	109.5°
C9	C8	C11	106.0°	109.5°
C8	C9	H14	109.5°	109.5°
C8	C9	H15	109.5°	109.5°
C8	C9	H13	109.5°	109.5°
C10	C8	C11	109.6°	109.5°
C8	C10	H17	109.5°	109.4°
C8	C10	H16	109.5°	109.5°
C8	C10	H18	109.5°	109.4°
C8	C11	H20	109.5°	109.5°
C8	C11	H21	109.5°	109.5°
C8	C11	H19	109.5°	109.5°
H7	C4	H8	109.5°	110.6°
H10	C5	H11	109.4°	109.9°
H17	C10	H16	109.5°	109.5°
H17	C10	H18	109.5°	109.5°
H16	C10	H18	109.4°	109.5°
H1	C	H	109.5°	109.4°
H1	C	H2	109.4°	109.5°
H	C	H2	109.5°	109.5°
H20	C11	H21	109.5°	109.5°
H20	C11	H19	109.5°	109.5°
H21	C11	H19	109.5°	109.5°
H4	C2	H5	109.5°	110.9°
H14	C9	H15	109.4°	109.5°
H14	C9	H13	109.5°	109.4°
H15	C9	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N1	120.9°	118.8°
C	C1	C2	H3	122.9°	122.4°
C	C1	C2	C3	74.3°	155.6°
C	C1	N1	C6	76.7°	144.8°
C	C1	N1	H3	122.1°	122.4°
C	C1	N1	C7	103.6°	34.9°
C1	C	H1	H	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
C	C1	C2	H4	167.2°	86.1°
C	C1	C2	H5	44.2°	37.5°
C1	C2	C3	H4	118.5°	118.3°
C1	C2	C3	H5	118.5°	118.2°
C1	C2	C3	C4	145.6°	75.7°
C1	C2	C3	C6	31.4°	33.3°
C2	C1	N1	C6	45.2°	25.9°
C2	C1	N1	H3	115.9°	118.8°
C2	C1	N1	C7	134.5°	153.8°
C2	C1	C	H1	180.0°	52.7°
C2	C1	C	H	60.0°	172.7°
C2	C1	C	H2	60.0°	67.3°
C1	C2	H4	H5	124.3°	123.6°
C1	C2	C3	H6	88.3°	157.4°
C2	C3	C4	C6	114.7°	109.1°
C2	C3	C4	H6	126.1°	126.9°
C2	C3	C4	N	89.3°	146.1°
C2	C3	C6	C5	119.5°	134.5°
C2	C3	C6	H6	119.8°	123.5°
C2	C3	C6	N1	5.1°	18.7°
C3	C2	C1	N1	46.6°	36.8°
C2	C3	C4	H7	30.2°	95.3°
C2	C3	C4	H8	151.3°	27.7°
C2	C3	C6	H12	123.0°	104.1°
C3	C2	C1	H3	162.8°	82.1°
C3	C2	H4	H5	124.3°	123.5°
C3	C4	N	H7	119.4°	118.7°
C3	C4	N	H8	119.5°	118.4°
C3	C4	N	C5	39.9°	39.1°
C4	C3	C6	C5	1.3°	21.4°
C4	C3	C6	H6	119.4°	123.4°
C4	C3	C6	N1	125.8°	94.4°
C3	C4	H7	H8	121.6°	123.0°
C4	C3	C6	H12	116.2°	142.8°
C3	C4	N	H9	79.2°	159.5°
C4	C3	C2	H4	27.1°	42.6°
C4	C3	C2	H5	95.9°	166.1°
C4	N	C5	H9	119.1°	120.5°
C4	N	C5	C6	38.4°	25.5°
N	C4	C3	C6	25.4°	37.0°
N	C4	H7	H8	121.6°	122.9°
C4	N	C5	H10	157.6°	145.0°
C4	N	C5	H11	80.8°	93.9°
N	C4	C3	H6	144.6°	87.0°
N	C5	C6	H10	119.2°	119.6°
N	C5	C6	H11	119.2°	119.3°
N	C5	C6	C3	22.3°	1.7°
N	C5	C6	N1	93.4°	116.2°
C5	N	C4	H7	159.3°	157.7°
C5	N	C4	H8	79.6°	79.3°
N	C5	H10	H11	122.4°	121.0°
N	C5	C6	H12	139.8°	120.1°
C5	C6	C3	N1	124.5°	115.8°
C5	C6	C3	H12	117.5°	121.4°
C5	C6	N1	H12	126.4°	123.7°
C5	C6	N1	C1	140.8°	108.6°
C5	C6	N1	C7	38.9°	71.7°
C6	C5	H10	H11	122.4°	121.1°
C6	C5	N	H9	80.7°	145.9°
C5	C6	C3	H6	120.7°	101.9°
C3	C6	N1	H12	117.4°	123.3°
C3	C6	N1	C1	24.6°	4.5°
C3	C6	N1	C7	155.1°	175.3°
C6	C3	C4	H7	144.9°	155.5°
C6	C3	C4	H8	94.0°	81.4°
C3	C6	C5	H10	141.5°	121.3°
C3	C6	C5	H11	96.9°	117.6°
C6	C3	C2	H4	87.1°	151.6°
C6	C3	C2	H5	149.9°	84.9°
C6	N1	C1	C7	179.7°	179.7°
C6	N1	C7	O	18.8°	173.1°
C6	N1	C7	C8	162.1°	6.8°
N1	C6	C5	H10	25.8°	124.2°
N1	C6	C5	H11	147.4°	3.1°
C6	N1	C1	H3	161.1°	92.8°
N1	C6	C3	H6	114.8°	142.2°
C1	N1	C7	O	160.8°	6.6°
C1	N1	C7	C8	18.3°	173.5°
C1	N1	C6	H12	92.9°	127.7°
N1	C1	C	H1	65.3°	168.0°
N1	C1	C	H	54.8°	72.0°
N1	C1	C	H2	174.8°	48.0°
N1	C1	C2	H4	71.9°	155.0°
N1	C1	C2	H5	165.0°	81.3°
N1	C7	O	C8	179.1°	179.9°
N1	C7	C8	C9	172.7°	53.9°
N1	C7	C8	C10	71.2°	173.9°
N1	C7	C8	C11	55.9°	66.1°
C7	N1	C6	H12	87.5°	52.0°
C7	N1	C1	H3	18.6°	87.4°
O	C7	C8	C9	8.2°	126.0°
O	C7	C8	C10	107.9°	6.0°
O	C7	C8	C11	125.0°	114.0°
C7	C8	C9	C10	120.1°	120.0°
C7	C8	C9	C11	123.2°	120.0°
C7	C8	C10	C11	130.3°	120.0°
C7	C8	C10	H17	180.0°	60.0°
C7	C8	C10	H16	60.0°	180.0°
C7	C8	C10	H18	60.0°	60.0°
C7	C8	C11	H20	180.0°	89.3°
C7	C8	C11	H21	60.0°	150.7°
C7	C8	C11	H19	60.0°	30.7°
C7	C8	C9	H14	180.0°	33.0°
C7	C8	C9	H15	60.0°	153.0°
C7	C8	C9	H13	60.0°	87.0°
C9	C8	C10	C11	114.4°	120.0°
C9	C8	C10	H17	64.6°	180.0°
C9	C8	C10	H16	175.3°	60.0°
C9	C8	C10	H18	55.4°	60.0°
C9	C8	C11	H20	63.5°	30.7°
C9	C8	C11	H21	56.5°	89.3°
C9	C8	C11	H19	176.4°	150.7°
C8	C9	H14	H15	120.0°	120.0°
C8	C9	H14	H13	120.0°	120.0°
C8	C9	H15	H13	120.0°	120.0°
C8	C10	H17	H16	120.0°	120.0°
C8	C10	H17	H18	120.0°	120.0°
C8	C10	H16	H18	120.0°	120.0°
C10	C8	C11	H20	51.3°	150.7°
C10	C8	C11	H21	171.3°	30.7°
C10	C8	C11	H19	68.7°	89.3°
C10	C8	C9	H14	59.9°	87.0°
C10	C8	C9	H15	60.1°	33.0°
C10	C8	C9	H13	179.9°	153.0°
C11	C8	C10	H17	49.7°	60.0°
C11	C8	C10	H16	70.3°	60.0°
C11	C8	C10	H18	169.7°	180.0°
C8	C11	H20	H21	120.0°	120.0°
C8	C11	H20	H19	120.0°	120.0°
C8	C11	H21	H19	120.0°	120.0°
C11	C8	C9	H14	56.8°	153.0°
C11	C8	C9	H15	176.8°	87.0°
C11	C8	C9	H13	63.2°	33.0°
H7	C4	N	H9	40.3°	81.8°
H7	C4	C3	H6	95.9°	31.6°
H8	C4	N	H9	161.3°	41.2°
H8	C4	C3	H6	25.2°	154.6°
H10	C5	C6	H12	101.0°	0.5°
H10	C5	N	H9	38.5°	94.6°
H11	C5	C6	H12	20.6°	120.6°
H11	C5	N	H9	160.1°	26.5°
H12	C6	C3	H6	3.2°	19.4°
H17	C10	H16	H18	120.0°	120.1°
H1	C	H	H2	119.9°	120.0°
H1	C	C1	H3	57.1°	69.6°
H	C	C1	H3	177.2°	50.4°
H2	C	C1	H3	62.8°	170.4°
H3	C1	C2	H4	44.4°	36.2°
H3	C1	C2	H5	78.7°	159.9°
H20	C11	H21	H19	120.0°	120.0°
H4	C2	C3	H6	153.2°	84.3°
H5	C2	C3	H6	30.2°	39.2°
H14	C9	H15	H13	120.0°	120.0°

Release date:	2025-11-12
Definition date:	2025-02-18
Last modified:	2025-11-07
Release status:	REL
Processing site:	PDBE
Derived from:	9IFN