NW4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.51Å	1.51Å
C2	C3	sing	1.53Å	1.54Å
C4	C9	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.52Å
C9	C8	sing	1.53Å	1.53Å
C13	N1	sing	1.47Å	1.47Å
C13	C12	sing	1.53Å	1.51Å
C1	O1	doub	1.21Å	1.23Å
C1	N1	sing	1.35Å	1.35Å
C5	C6	sing	1.53Å	1.53Å
N1	C10	sing	1.47Å	1.47Å
C6	C7	sing	1.53Å	1.51Å
C12	O2	sing	1.43Å	1.43Å
C8	C7	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.51Å
O2	C11	sing	1.43Å	1.42Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C2	H19	sing	1.09Å	1.10Å
C3	H20	sing	1.09Å	1.10Å
C3	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å
C9	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.2°	109.5°
C2	C1	O1	120.9°	120.0°
C2	C1	N1	117.7°	120.0°
C1	C2	H18	109.0°	109.5°
C1	C2	H19	109.0°	109.4°
C2	C3	C4	115.9°	109.5°
C3	C2	H18	109.0°	109.5°
C3	C2	H19	109.1°	109.5°
C2	C3	H20	107.8°	109.5°
C2	C3	H21	107.8°	109.5°
C9	C4	C3	112.0°	109.5°
C9	C4	C5	110.3°	109.5°
C4	C9	C8	113.0°	109.4°
C9	C4	H1	107.6°	109.5°
C4	C9	H22	108.6°	109.4°
C4	C9	H23	108.6°	109.5°
C3	C4	C5	111.5°	109.5°
C3	C4	H1	107.6°	109.5°
C4	C3	H20	107.9°	109.5°
C4	C3	H21	107.8°	109.5°
C4	C5	C6	112.8°	109.5°
C5	C4	H1	107.6°	109.4°
C4	C5	H2	108.7°	109.4°
C4	C5	H3	108.6°	109.4°
C9	C8	C7	112.1°	109.5°
C9	C8	H8	108.8°	109.4°
C9	C8	H9	108.8°	109.5°
C8	C9	H22	108.6°	109.5°
C8	C9	H23	108.6°	109.5°
N1	C13	C12	109.8°	108.3°
C13	N1	C1	125.8°	121.0°
C13	N1	C10	113.1°	118.0°
N1	C13	H12	109.4°	109.7°
N1	C13	H13	109.4°	109.7°
C13	C12	O2	113.3°	109.3°
C12	C13	H12	109.4°	109.7°
C12	C13	H13	109.4°	109.6°
C13	C12	H16	108.5°	109.5°
C13	C12	H17	108.5°	109.5°
O1	C1	N1	121.1°	120.0°
C1	N1	C10	121.0°	121.0°
C5	C6	C7	110.6°	109.5°
C6	C5	H2	108.7°	109.5°
C6	C5	H3	108.6°	109.5°
C5	C6	H4	109.2°	109.5°
C5	C6	H5	109.2°	109.5°
N1	C10	C11	110.1°	108.4°
N1	C10	H10	109.4°	109.7°
N1	C10	H11	109.3°	109.7°
C6	C7	C8	112.0°	109.4°
C7	C6	H4	109.2°	109.4°
C7	C6	H5	109.2°	109.5°
C6	C7	H6	108.8°	109.5°
C6	C7	H7	108.8°	109.4°
C12	O2	C11	112.1°	114.2°
O2	C12	H16	108.5°	109.5°
O2	C12	H17	108.5°	109.5°
C8	C7	H6	108.8°	109.5°
C8	C7	H7	108.8°	109.5°
C7	C8	H8	108.8°	109.5°
C7	C8	H9	108.8°	109.5°
C10	C11	O2	111.7°	109.2°
C11	C10	H10	109.3°	109.7°
C11	C10	H11	109.3°	109.7°
C10	C11	H14	108.9°	109.5°
C10	C11	H15	108.9°	109.6°
O2	C11	H14	108.9°	109.5°
O2	C11	H15	108.9°	109.5°
H2	C5	H3	109.5°	109.5°
H4	C6	H5	109.5°	109.5°
H6	C7	H7	109.5°	109.5°
H8	C8	H9	109.5°	109.5°
H10	C10	H11	109.4°	109.7°
H12	C13	H13	109.5°	109.7°
H14	C11	H15	109.5°	109.5°
H16	C12	H17	109.5°	109.5°
H18	C2	H19	109.5°	109.5°
H20	C3	H21	109.5°	109.5°
H22	C9	H23	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H18	120.2°	120.0°
C1	C2	C3	H19	120.2°	119.9°
C1	C2	C3	C4	148.9°	180.0°
C2	C1	N1	C13	41.4°	0.3°
C2	C1	O1	N1	174.4°	179.9°
C2	C1	N1	C10	140.9°	180.0°
C1	C2	H18	H19	119.2°	119.9°
C1	C2	C3	H20	28.0°	60.0°
C1	C2	C3	H21	90.2°	59.9°
C2	C3	C4	C9	66.9°	175.0°
C2	C3	C4	H20	120.9°	120.0°
C2	C3	C4	H21	120.9°	120.0°
C2	C3	C4	C5	168.9°	65.0°
C3	C2	C1	O1	106.7°	0.1°
C3	C2	C1	N1	67.9°	180.0°
C2	C3	C4	H1	51.2°	55.0°
C3	C2	H18	H19	119.3°	120.1°
C2	C3	H20	H21	117.1°	120.0°
C9	C4	C3	C5	124.2°	120.0°
C9	C4	C3	H1	118.1°	120.0°
C9	C4	C5	H1	117.1°	120.0°
C4	C9	C8	H22	120.5°	119.9°
C4	C9	C8	H23	120.6°	120.0°
C9	C4	C5	C6	19.1°	60.0°
C4	C9	C8	C7	59.5°	60.1°
C9	C4	C5	H2	101.4°	60.0°
C9	C4	C5	H3	139.5°	180.0°
C4	C9	C8	H8	179.8°	180.0°
C4	C9	C8	H9	61.0°	60.0°
C9	C4	C3	H20	54.0°	65.0°
C9	C4	C3	H21	172.2°	55.0°
C4	C9	H22	H23	118.4°	120.0°
C3	C4	C5	H1	117.8°	120.0°
C3	C4	C9	C8	84.8°	180.0°
C3	C4	C5	C6	144.2°	180.0°
C3	C4	C5	H2	23.7°	60.0°
C3	C4	C5	H3	95.3°	60.0°
C4	C3	C2	H18	90.9°	60.0°
C4	C3	C2	H19	28.7°	60.1°
C4	C3	H20	H21	117.1°	120.0°
C3	C4	C9	H22	154.6°	60.0°
C3	C4	C9	H23	35.7°	60.0°
C5	C4	C9	C8	40.1°	60.0°
C4	C5	C6	H2	120.5°	120.0°
C4	C5	C6	H3	120.5°	120.0°
C4	C5	C6	C7	63.3°	60.0°
C4	C5	H2	H3	118.5°	120.0°
C4	C5	C6	H4	176.6°	180.0°
C4	C5	C6	H5	56.9°	60.0°
C5	C4	C3	H20	70.1°	55.0°
C5	C4	C3	H21	48.0°	175.0°
C5	C4	C9	H22	80.5°	180.0°
C5	C4	C9	H23	160.6°	60.0°
C9	C8	C7	C6	14.6°	60.1°
C9	C8	C7	H8	120.4°	119.9°
C9	C8	C7	H9	120.4°	120.0°
C8	C9	C4	H1	157.1°	60.0°
C9	C8	C7	H6	135.0°	60.0°
C9	C8	C7	H7	105.8°	180.0°
C9	C8	H8	H9	118.8°	120.0°
C8	C9	H22	H23	118.4°	120.1°
N1	C13	C12	H12	120.1°	119.7°
N1	C13	C12	H13	120.1°	119.7°
C13	N1	C1	O1	144.1°	179.8°
C13	N1	C1	C10	177.8°	179.7°
N1	C13	C12	O2	56.5°	52.3°
C13	N1	C10	C11	7.3°	50.6°
C13	N1	C10	H10	112.8°	69.2°
C13	N1	C10	H11	127.4°	170.3°
N1	C13	H12	H13	119.8°	120.6°
N1	C13	C12	H16	177.0°	67.6°
N1	C13	C12	H17	64.1°	172.3°
C12	C13	N1	C1	135.2°	129.2°
C12	C13	N1	C10	46.9°	50.5°
C13	C12	O2	H16	120.5°	119.9°
C13	C12	O2	H17	120.6°	119.9°
C13	C12	O2	C11	6.2°	62.6°
C12	C13	H12	H13	119.8°	120.5°
C13	C12	H16	H17	118.3°	120.1°
O1	C1	N1	C10	33.7°	0.1°
O1	C1	C2	H18	133.1°	120.0°
O1	C1	C2	H19	13.6°	120.0°
C1	N1	C10	C11	170.7°	129.2°
C1	N1	C10	H10	69.2°	111.1°
C1	N1	C10	H11	50.6°	9.4°
C1	N1	C13	H12	104.8°	9.5°
C1	N1	C13	H13	15.1°	111.1°
N1	C1	C2	H18	52.3°	59.9°
N1	C1	C2	H19	171.8°	60.0°
C5	C6	C7	H4	120.2°	120.0°
C5	C6	C7	H5	120.2°	120.0°
C5	C6	C7	C8	43.5°	60.0°
C6	C5	C4	H1	98.0°	60.0°
C6	C5	H2	H3	118.5°	120.0°
C5	C6	H4	H5	119.5°	120.0°
C5	C6	C7	H6	76.9°	60.0°
C5	C6	C7	H7	163.9°	180.0°
N1	C10	C11	H10	120.1°	119.7°
N1	C10	C11	H11	120.1°	119.7°
N1	C10	C11	O2	59.4°	52.3°
N1	C10	H10	H11	119.7°	120.5°
C10	N1	C13	H12	73.2°	170.2°
C10	N1	C13	H13	166.9°	69.1°
N1	C10	C11	H14	179.7°	172.2°
N1	C10	C11	H15	61.0°	67.7°
C6	C7	C8	H6	120.4°	120.0°
C6	C7	C8	H7	120.4°	119.9°
C7	C6	C5	H2	57.2°	60.0°
C7	C6	C5	H3	176.2°	180.0°
C7	C6	H4	H5	119.5°	120.0°
C6	C7	H6	H7	118.8°	120.0°
C6	C7	C8	H8	135.0°	180.0°
C6	C7	C8	H9	105.8°	60.0°
C12	O2	C11	C10	51.1°	62.6°
O2	C12	C13	H12	63.6°	172.0°
O2	C12	C13	H13	176.5°	67.4°
C12	O2	C11	H14	171.4°	177.5°
C12	O2	C11	H15	69.3°	57.4°
O2	C12	H16	H17	118.3°	120.1°
C8	C7	C6	H4	163.7°	180.0°
C8	C7	C6	H5	76.7°	60.0°
C8	C7	H6	H7	118.8°	120.0°
C7	C8	H8	H9	118.8°	120.0°
C7	C8	C9	H22	61.1°	180.0°
C7	C8	C9	H23	180.0°	59.9°
C10	C11	O2	H14	120.3°	119.9°
C10	C11	O2	H15	120.3°	120.0°
C11	C10	H10	H11	119.7°	120.6°
C10	C11	H14	H15	119.0°	120.2°
O2	C11	C10	H10	60.8°	67.4°
O2	C11	C10	H11	179.4°	172.1°
O2	C11	H14	H15	119.0°	120.1°
C11	O2	C12	H16	126.7°	57.3°
C11	O2	C12	H17	114.4°	177.5°
H1	C4	C5	H2	141.5°	NaN°
H1	C4	C5	H3	22.5°	60.0°
H1	C4	C3	H20	172.1°	175.0°
H1	C4	C3	H21	69.7°	65.0°
H1	C4	C9	H22	36.6°	60.0°
H1	C4	C9	H23	82.3°	179.9°
H2	C5	C6	H4	62.9°	60.0°
H2	C5	C6	H5	177.4°	180.0°
H3	C5	C6	H4	56.1°	60.0°
H3	C5	C6	H5	63.6°	60.0°
H4	C6	C7	H6	43.3°	60.0°
H4	C6	C7	H7	76.0°	60.0°
H5	C6	C7	H6	162.9°	180.0°
H5	C6	C7	H7	43.7°	60.0°
H6	C7	C8	H8	104.6°	60.0°
H6	C7	C8	H9	14.6°	180.0°
H7	C7	C8	H8	14.6°	60.1°
H7	C7	C8	H9	133.8°	60.0°
H8	C8	C9	H22	59.3°	60.1°
H8	C8	C9	H23	59.6°	60.0°
H9	C8	C9	H22	178.5°	59.9°
H9	C8	C9	H23	59.6°	180.0°
H10	C10	C11	H14	59.5°	52.5°
H10	C10	C11	H15	178.9°	172.6°
H11	C10	C11	H14	60.2°	68.1°
H11	C10	C11	H15	59.1°	52.1°
H12	C13	C12	H16	56.9°	52.1°
H12	C13	C12	H17	175.8°	68.0°
H13	C13	C12	H16	62.9°	172.7°
H13	C13	C12	H17	55.9°	52.6°
H18	C2	C3	H20	148.2°	60.0°
H18	C2	C3	H21	30.1°	180.0°
H19	C2	C3	H20	92.3°	179.9°
H19	C2	C3	H21	149.6°	60.0°

Release date:	2019-08-07
Definition date:	2019-05-28
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	5QRC