SYX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.47Å
N	C1	sing	1.47Å	1.46Å
N	C4	sing	1.47Å	1.46Å
C1	C2	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.47Å
C2	N1	sing	1.47Å	1.46Å
N1	C5	sing	1.35Å	1.34Å
C5	C6	sing	1.51Å	1.53Å
C5	O	doub	1.21Å	1.22Å
C6	C7	sing	1.54Å	1.49Å
C6	O1	sing	1.44Å	1.43Å
C7	C8	sing	1.55Å	1.51Å
O1	C9	sing	1.44Å	1.43Å
C9	C8	sing	1.55Å	1.48Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	111.0°	111.0°
C	N	C4	110.9°	111.2°
N	C	H9	109.5°	109.4°
N	C	H10	109.5°	109.4°
N	C	H11	109.5°	109.4°
C1	N	C4	110.2°	111.4°
N	C1	C2	110.9°	109.3°
N	C1	H12	109.1°	109.5°
N	C1	H13	109.1°	109.5°
N	C4	C3	111.1°	109.3°
N	C4	H1	109.1°	109.4°
N	C4	H2	109.1°	109.5°
C1	C2	N1	109.4°	108.5°
C2	C1	H12	109.1°	109.7°
C2	C1	H13	109.1°	109.3°
C1	C2	H14	109.5°	109.6°
C1	C2	H15	109.5°	109.6°
C4	C3	N1	110.0°	108.5°
C3	C4	H1	109.1°	109.5°
C3	C4	H2	109.0°	109.5°
C4	C3	H16	109.3°	109.7°
C4	C3	H17	109.4°	109.6°
C3	N1	C2	111.5°	118.2°
C3	N1	C5	125.2°	120.9°
N1	C3	H16	109.3°	109.6°
N1	C3	H17	109.3°	109.6°
C2	N1	C5	123.3°	120.9°
N1	C2	H14	109.5°	109.7°
N1	C2	H15	109.5°	109.7°
N1	C5	C6	117.5°	120.0°
N1	C5	O	121.7°	120.0°
C6	C5	O	120.8°	120.0°
C5	C6	C7	112.3°	109.9°
C5	C6	O1	110.2°	109.9°
C5	C6	H3	108.1°	109.8°
C7	C6	O1	108.0°	107.3°
C6	C7	C8	105.1°	104.1°
C7	C6	H3	108.7°	109.9°
C6	C7	H4	110.5°	110.5°
C6	C7	H5	110.5°	110.5°
C6	O1	C9	107.0°	107.0°
O1	C6	H3	109.4°	110.0°
C7	C8	C9	102.7°	102.1°
C8	C7	H4	110.6°	110.5°
C8	C7	H5	110.6°	110.5°
C7	C8	H6	111.1°	110.9°
C7	C8	H7	111.1°	110.9°
O1	C9	C8	106.3°	103.5°
O1	C9	H18	110.2°	110.6°
O1	C9	H19	110.2°	110.8°
C9	C8	H6	111.1°	110.9°
C9	C8	H7	111.1°	111.0°
C8	C9	H18	110.3°	110.6°
C8	C9	H19	110.2°	110.6°
H1	C4	H2	109.5°	109.5°
H4	C7	H5	109.5°	110.6°
H6	C8	H7	109.5°	110.8°
H9	C	H10	109.5°	109.5°
H9	C	H11	109.5°	109.5°
H10	C	H11	109.5°	109.5°
H12	C1	H13	109.5°	109.5°
H14	C2	H15	109.5°	109.8°
H16	C3	H17	109.5°	109.8°
H18	C9	H19	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	C4	123.2°	124.5°
C	N	C1	C2	148.8°	172.7°
C	N	C4	C3	85.8°	172.8°
C	N	C4	H1	34.5°	67.2°
C	N	C4	H2	154.0°	52.8°
N	C	H9	H10	120.0°	120.0°
N	C	H9	H11	120.0°	120.0°
N	C	H10	H11	120.0°	120.0°
C	N	C1	H12	91.0°	52.5°
C	N	C1	H13	28.6°	67.5°
N	C1	C2	H12	120.2°	120.1°
N	C1	C2	H13	120.2°	119.8°
C1	N	C4	C3	37.5°	62.8°
N	C1	C2	N1	68.6°	53.7°
C1	N	C4	H1	157.7°	57.1°
C1	N	C4	H2	82.8°	177.2°
C1	N	C	H9	180.0°	60.0°
C1	N	C	H10	60.0°	180.0°
C1	N	C	H11	60.0°	60.0°
N	C1	H12	H13	119.4°	120.0°
N	C1	C2	H14	51.3°	173.5°
N	C1	C2	H15	171.4°	66.0°
C4	N	C1	C2	25.5°	62.8°
N	C4	C3	H1	120.3°	119.9°
N	C4	C3	H2	120.3°	120.0°
N	C4	C3	N1	65.5°	53.8°
N	C4	H1	H2	119.3°	120.1°
C4	N	C	H9	57.2°	175.4°
C4	N	C	H10	62.8°	55.4°
C4	N	C	H11	177.2°	64.6°
C4	N	C1	H12	145.8°	176.9°
C4	N	C1	H13	94.7°	56.9°
N	C4	C3	H16	54.6°	65.9°
N	C4	C3	H17	174.4°	173.5°
C1	C2	N1	C3	39.7°	51.5°
C1	C2	N1	H14	120.0°	119.7°
C1	C2	N1	H15	120.0°	119.7°
C1	C2	N1	C5	138.8°	128.9°
C2	C1	H12	H13	119.4°	120.0°
C1	C2	H14	H15	120.1°	120.4°
C4	C3	N1	H16	120.1°	119.8°
C4	C3	N1	H17	120.1°	119.7°
C4	C3	N1	C2	22.2°	51.5°
C4	C3	N1	C5	159.3°	128.9°
C3	C4	H1	H2	119.2°	120.1°
C4	C3	H16	H17	119.8°	120.4°
C3	N1	C2	C5	178.5°	179.7°
C3	N1	C5	C6	158.4°	0.3°
C3	N1	C5	O	21.0°	179.7°
N1	C3	C4	H1	174.2°	66.1°
N1	C3	C4	H2	54.7°	173.8°
C3	N1	C2	H14	80.2°	171.1°
C3	N1	C2	H15	159.7°	68.2°
N1	C3	H16	H17	119.7°	120.5°
C2	N1	C5	C6	19.9°	180.0°
C2	N1	C5	O	160.7°	0.1°
N1	C2	C1	H12	171.2°	173.8°
N1	C2	C1	H13	51.6°	66.1°
N1	C2	H14	H15	120.0°	120.6°
C2	N1	C3	H16	97.9°	68.3°
C2	N1	C3	H17	142.3°	171.1°
N1	C5	C6	O	179.4°	180.0°
N1	C5	C6	C7	143.2°	65.0°
N1	C5	C6	O1	96.3°	177.1°
N1	C5	C6	H3	23.3°	56.0°
C5	N1	C2	H14	101.3°	9.2°
C5	N1	C2	H15	18.8°	111.4°
C5	N1	C3	H16	80.6°	111.4°
C5	N1	C3	H17	39.2°	9.2°
C5	C6	C7	O1	121.8°	119.5°
C5	C6	C7	H3	119.6°	120.9°
C5	C6	O1	H3	118.8°	121.0°
C5	C6	C7	C8	115.9°	121.5°
C5	C6	O1	C9	137.8°	145.9°
C5	C6	C7	H4	124.8°	119.9°
C5	C6	C7	H5	3.4°	2.8°
O	C5	C6	C7	36.3°	115.1°
O	C5	C6	O1	84.3°	2.9°
O	C5	C6	H3	156.2°	124.0°
C7	C6	O1	H3	118.2°	119.5°
C6	C7	C8	H4	119.3°	118.7°
C6	C7	C8	H5	119.3°	118.7°
C7	C6	O1	C9	14.8°	26.5°
C6	C7	C8	C9	23.3°	20.9°
C6	C7	H4	H5	122.0°	122.7°
C6	C7	C8	H6	142.2°	139.1°
C6	C7	C8	H7	95.6°	97.4°
O1	C6	C7	C8	5.9°	2.0°
C6	O1	C9	C8	30.3°	40.0°
O1	C6	C7	H4	113.4°	120.6°
O1	C6	C7	H5	125.2°	116.7°
C6	O1	C9	H18	149.9°	78.5°
C6	O1	C9	H19	89.2°	158.5°
C7	C8	C9	O1	33.0°	37.0°
C7	C8	C9	H6	118.9°	118.2°
C7	C8	C9	H7	118.9°	118.2°
C8	C7	C6	H3	124.5°	117.6°
C8	C7	H4	H5	122.0°	122.6°
C7	C8	H6	H7	123.1°	123.6°
C7	C8	C9	H18	152.5°	81.5°
C7	C8	C9	H19	86.5°	155.7°
O1	C9	C8	H18	119.5°	118.5°
O1	C9	C8	H19	119.5°	118.7°
C9	O1	C6	H3	103.4°	93.0°
O1	C9	C8	H6	151.9°	155.2°
O1	C9	C8	H7	85.9°	81.2°
O1	C9	H18	H19	121.4°	123.1°
C9	C8	C7	H4	96.0°	97.8°
C9	C8	C7	H5	142.6°	139.5°
C9	C8	H6	H7	123.1°	123.7°
C8	C9	H18	H19	121.5°	122.8°
H1	C4	C3	H16	65.7°	174.2°
H1	C4	C3	H17	54.1°	53.6°
H2	C4	C3	H16	174.8°	54.1°
H2	C4	C3	H17	65.4°	66.5°
H3	C6	C7	H4	5.2°	1.1°
H3	C6	C7	H5	116.2°	123.8°
H4	C7	C8	H6	22.9°	20.4°
H4	C7	C8	H7	145.1°	143.9°
H5	C7	C8	H6	98.5°	102.2°
H5	C7	C8	H7	23.7°	21.3°
H6	C8	C9	H18	88.6°	36.7°
H6	C8	C9	H19	32.4°	86.1°
H7	C8	C9	H18	33.6°	160.3°
H7	C8	C9	H19	154.6°	37.5°
H9	C	H10	H11	120.0°	120.1°
H12	C1	C2	H14	68.9°	66.4°
H12	C1	C2	H15	51.2°	54.1°
H13	C1	C2	H14	171.6°	53.7°
H13	C1	C2	H15	68.4°	174.2°

Release date:	2023-11-29
Definition date:	2023-08-28
Last modified:	2023-11-24
Release status:	REL
Processing site:	RCSB
Derived from:	7GOW