4W6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N21	C20	trip	1.14Å	1.16Å
C16	C15	sing	1.55Å	1.51Å
C16	C17	sing	1.55Å	1.52Å
C20	C19	sing	1.43Å	1.42Å
C15	N14	sing	1.47Å	1.44Å
C17	C18	sing	1.54Å	1.50Å
C2	C1	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.52Å
O13	C12	doub	1.21Å	1.24Å
N14	C18	sing	1.47Å	1.45Å
N14	C12	sing	1.35Å	1.37Å
C19	C22	doub	1.39Å	1.37Å	Aromatic
C19	C10	sing	1.41Å	1.42Å	Aromatic
N23	C22	sing	1.37Å	1.37Å
N23	C4	sing	1.36Å	1.40Å
C12	C11	sing	1.51Å	1.52Å
C22	N8	sing	1.36Å	1.36Å	Aromatic
C3	C4	sing	1.51Å	1.48Å
C11	C10	sing	1.51Å	1.48Å
C10	N9	doub	1.30Å	1.34Å	Aromatic
C4	C5	doub	1.35Å	1.34Å
N8	N9	sing	1.40Å	1.35Å	Aromatic
N8	C6	sing	1.35Å	1.41Å
C5	C6	sing	1.41Å	1.44Å
C6	O7	doub	1.22Å	1.23Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	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
C3	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C18	H19	sing	1.09Å	1.10Å
N23	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N21	C20	C19	175.2°	180.0°
C15	C16	C17	105.7°	101.6°
C16	C15	N14	105.6°	104.8°
C16	C15	H12	110.4°	110.4°
C16	C15	H13	110.4°	110.4°
C15	C16	H14	110.4°	111.0°
C15	C16	H15	110.4°	111.0°
C16	C17	C18	106.7°	102.9°
C17	C16	H14	110.4°	111.0°
C17	C16	H15	110.4°	111.0°
C16	C17	H16	110.1°	110.7°
C16	C17	H17	110.2°	110.7°
C20	C19	C22	124.3°	126.5°
C20	C19	C10	129.0°	126.5°
C15	N14	C18	112.0°	108.7°
C15	N14	C12	121.9°	125.6°
N14	C15	H12	110.4°	110.4°
N14	C15	H13	110.4°	110.3°
C17	C18	N14	106.0°	107.3°
C18	C17	H16	110.1°	110.8°
C18	C17	H17	110.1°	110.7°
C17	C18	H18	110.3°	109.7°
C17	C18	H19	110.3°	110.0°
C1	C2	C3	113.1°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.6°	109.5°
C1	C2	H5	108.6°	109.4°
C2	C3	C4	112.2°	109.5°
C3	C2	H4	108.6°	109.5°
C3	C2	H5	108.6°	109.4°
C2	C3	H6	108.8°	109.5°
C2	C3	H7	108.8°	109.5°
O13	C12	N14	121.3°	120.0°
O13	C12	C11	123.3°	120.0°
C18	N14	C12	125.6°	125.6°
N14	C18	H18	110.3°	109.9°
N14	C18	H19	110.3°	109.9°
N14	C12	C11	115.4°	120.0°
C22	C19	C10	106.7°	107.0°
C19	C22	N23	134.1°	132.4°
C19	C22	N8	105.4°	107.0°
C19	C10	C11	129.3°	125.7°
C19	C10	N9	109.9°	108.5°
C22	N23	C4	117.9°	120.2°
N23	C22	N8	120.5°	120.5°
C22	N23	H9	121.0°	119.9°
N23	C4	C3	116.6°	120.0°
N23	C4	C5	120.9°	119.9°
C4	N23	H9	121.0°	120.0°
C12	C11	C10	111.3°	109.5°
C12	C11	H10	109.0°	109.5°
C12	C11	H11	109.0°	109.4°
C22	N8	N9	113.2°	108.1°
C22	N8	C6	125.1°	119.9°
C3	C4	C5	122.5°	120.1°
C4	C3	H6	108.8°	109.5°
C4	C3	H7	108.8°	109.5°
C11	C10	N9	120.8°	125.8°
C10	C11	H10	109.0°	109.5°
C10	C11	H11	109.0°	109.5°
C10	N9	N8	104.9°	109.3°
C4	C5	C6	124.2°	119.7°
C4	C5	H8	117.9°	120.1°
N9	N8	C6	121.7°	132.0°
N8	C6	C5	111.4°	119.8°
N8	C6	O7	122.0°	120.1°
C5	C6	O7	126.6°	120.1°
C6	C5	H8	117.9°	120.1°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H4	C2	H5	109.5°	109.5°
H6	C3	H7	109.5°	109.4°
H10	C11	H11	109.5°	109.5°
H12	C15	H13	109.5°	110.3°
H14	C16	H15	109.5°	110.9°
H16	C17	H17	109.5°	110.8°
H18	C18	H19	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N21	C20	C19	C22	118.8°	76.2°
N21	C20	C19	C10	61.4°	103.8°
C15	C16	C17	H14	119.4°	118.0°
C15	C16	C17	H15	119.4°	118.1°
C16	C15	N14	H12	119.4°	118.9°
C16	C15	N14	H13	119.4°	118.9°
C15	C16	C17	C18	18.8°	35.5°
C16	C15	N14	C18	13.4°	24.2°
C16	C15	N14	C12	159.4°	155.6°
C16	C15	H12	H13	121.8°	122.4°
C15	C16	H14	H15	121.8°	123.9°
C15	C16	C17	H16	100.8°	82.8°
C15	C16	C17	H17	138.3°	153.9°
C17	C16	C15	N14	19.5°	37.1°
C16	C17	C18	H16	119.6°	118.4°
C16	C17	C18	H17	119.6°	118.3°
C16	C17	C18	N14	10.9°	22.2°
C17	C16	C15	H12	138.8°	81.8°
C17	C16	C15	H13	99.9°	155.9°
C17	C16	H14	H15	121.8°	123.9°
C16	C17	H16	H17	121.3°	123.2°
C16	C17	C18	H18	130.3°	97.1°
C16	C17	C18	H19	108.6°	141.7°
C20	C19	C22	C10	179.9°	180.0°
C20	C19	C22	N23	0.5°	0.3°
C20	C19	C22	N8	179.8°	180.0°
C20	C19	C10	C11	0.4°	0.0°
C20	C19	C10	N9	179.8°	180.0°
C15	N14	C18	C17	1.6°	1.1°
C15	N14	C12	O13	6.1°	179.7°
C15	N14	C18	C12	172.5°	179.8°
C15	N14	C12	C11	173.9°	0.3°
N14	C15	H12	H13	121.8°	122.2°
N14	C15	C16	H14	138.9°	155.1°
N14	C15	C16	H15	99.9°	81.1°
C15	N14	C18	H18	117.9°	120.2°
C15	N14	C18	H19	121.0°	118.5°
C17	C18	N14	H18	119.4°	119.2°
C17	C18	N14	H19	119.4°	119.6°
C17	C18	N14	C12	170.9°	178.7°
C18	C17	C16	H14	138.2°	153.6°
C18	C17	C16	H15	100.6°	82.6°
C18	C17	H16	H17	121.2°	123.3°
C17	C18	H18	H19	121.6°	121.1°
C1	C2	C3	H4	120.5°	120.0°
C1	C2	C3	H5	120.5°	120.0°
C1	C2	C3	C4	59.2°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	H4	H5	118.4°	120.0°
C1	C2	C3	H6	179.6°	60.0°
C1	C2	C3	H7	61.2°	60.0°
C2	C3	C4	N23	72.0°	85.3°
C2	C3	C4	H6	120.4°	120.0°
C2	C3	C4	H7	120.4°	120.0°
C2	C3	C4	C5	108.6°	95.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	H4	H5	118.4°	120.0°
C2	C3	H6	H7	118.7°	120.0°
O13	C12	N14	C18	177.8°	0.0°
O13	C12	N14	C11	180.0°	180.0°
O13	C12	C11	C10	7.0°	0.0°
O13	C12	C11	H10	113.3°	120.0°
O13	C12	C11	H11	127.3°	120.0°
C18	N14	C12	C11	2.2°	180.0°
C18	N14	C15	H12	132.8°	94.7°
C18	N14	C15	H13	106.0°	143.0°
N14	C18	C17	H16	108.7°	96.1°
N14	C18	C17	H17	130.5°	140.6°
N14	C18	H18	H19	121.6°	121.2°
N14	C12	C11	C10	173.0°	180.0°
N14	C12	C11	H10	66.7°	60.0°
N14	C12	C11	H11	52.8°	60.0°
C12	N14	C15	H12	40.0°	85.5°
C12	N14	C15	H13	81.2°	36.7°
C12	N14	C18	H18	69.7°	59.5°
C12	N14	C18	H19	51.4°	61.7°
C19	C22	N23	N8	179.6°	179.6°
C19	C22	N23	C4	179.9°	179.8°
C22	C19	C10	C11	179.4°	180.0°
C22	C19	C10	N9	0.3°	0.0°
C19	C22	N8	N9	0.3°	0.0°
C19	C22	N8	C6	179.5°	180.0°
C19	C22	N23	H9	0.1°	0.0°
C10	C19	C22	N23	179.6°	179.7°
C19	C10	C11	C12	78.4°	90.1°
C10	C19	C22	N8	0.0°	0.0°
C19	C10	C11	N9	179.7°	179.9°
C19	C10	N9	N8	0.5°	0.0°
C19	C10	C11	H10	161.3°	29.9°
C19	C10	C11	H11	41.9°	150.0°
C22	N23	C4	H9	180.0°	179.8°
C22	N23	C4	C3	179.6°	179.7°
C22	N23	C4	C5	0.9°	0.5°
N23	C22	N8	N9	179.3°	179.7°
N23	C22	N8	C6	0.2°	0.3°
C4	N23	C22	N8	0.3°	0.6°
N23	C4	C3	C5	179.5°	179.7°
N23	C4	C5	C6	1.0°	0.3°
N23	C4	C3	H6	48.5°	154.7°
N23	C4	C3	H7	167.6°	34.8°
N23	C4	C5	H8	179.0°	179.8°
C12	C11	C10	H10	120.3°	120.0°
C12	C11	C10	H11	120.3°	120.0°
C12	C11	C10	N9	101.3°	90.0°
C12	C11	H10	H11	119.2°	120.0°
C22	N8	N9	C10	0.5°	0.0°
C22	N8	N9	C6	179.2°	179.9°
C22	N8	C6	C5	0.2°	0.0°
C22	N8	C6	O7	179.6°	180.0°
N8	C22	N23	H9	179.6°	179.6°
C3	C4	C5	C6	179.6°	180.0°
C4	C3	C2	H4	61.4°	60.0°
C4	C3	C2	H5	179.7°	60.0°
C4	C3	H6	H7	118.7°	120.0°
C3	C4	C5	H8	0.4°	0.0°
C3	C4	N23	H9	0.4°	0.1°
C11	C10	N9	N8	179.3°	180.0°
C10	C11	H10	H11	119.2°	120.0°
C10	N9	N8	C6	179.7°	180.0°
N9	C10	C11	H10	19.0°	150.0°
N9	C10	C11	H11	138.4°	30.0°
C4	C5	C6	N8	0.4°	0.0°
C4	C5	C6	H8	180.0°	180.0°
C4	C5	C6	O7	179.8°	180.0°
C5	C4	C3	H6	131.0°	25.0°
C5	C4	C3	H7	11.8°	145.0°
C5	C4	N23	H9	179.1°	179.7°
N9	N8	C6	C5	179.2°	180.0°
N9	N8	C6	O7	0.5°	0.1°
N8	C6	C5	O7	179.7°	180.0°
N8	C6	C5	H8	179.6°	180.0°
O7	C6	C5	H8	0.1°	0.1°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	59.5°	60.0°
H1	C1	C2	H5	59.5°	180.0°
H2	C1	C2	H4	60.6°	180.0°
H2	C1	C2	H5	179.5°	60.0°
H3	C1	C2	H4	179.5°	60.0°
H3	C1	C2	H5	60.5°	60.0°
H4	C2	C3	H6	59.1°	180.0°
H4	C2	C3	H7	178.2°	60.1°
H5	C2	C3	H6	59.9°	60.0°
H5	C2	C3	H7	59.3°	179.9°
H12	C15	C16	H14	101.8°	36.2°
H12	C15	C16	H15	19.5°	160.1°
H13	C15	C16	H14	19.5°	86.1°
H13	C15	C16	H15	140.7°	37.8°
H14	C16	C17	H16	18.6°	35.2°
H14	C16	C17	H17	102.3°	88.1°
H15	C16	C17	H16	139.9°	159.0°
H15	C16	C17	H17	19.0°	35.7°
H16	C17	C18	H18	10.8°	144.5°
H16	C17	C18	H19	131.8°	23.4°
H17	C17	C18	H18	110.1°	21.2°
H17	C17	C18	H19	11.0°	99.9°

Release date:	2015-07-01
Definition date:	2015-06-09
Last modified:	2015-06-26
Release status:	REL
Processing site:	EBI
Derived from:	5BWW