1W1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N16	C14	sing	1.37Å	1.37Å
N15	C14	doub	1.30Å	1.31Å
N15	C10	sing	1.49Å	1.45Å
C19	C18	doub	1.38Å	1.39Å	Aromatic
C19	C20	sing	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C14	O13	sing	1.35Å	1.37Å
F24	C20	sing	1.35Å	1.35Å
N26	C25	trip	1.14Å	1.14Å
C20	C21	doub	1.38Å	1.38Å	Aromatic
C10	C17	sing	1.51Å	1.52Å
C10	C9	sing	1.51Å	1.52Å
C10	C11	sing	1.53Å	1.58Å
C17	C22	doub	1.38Å	1.40Å	Aromatic
O13	C11	sing	1.44Å	1.42Å
C9	C8	sing	1.51Å	1.55Å
C8	N7	sing	1.47Å	1.46Å
C25	C3	sing	1.43Å	1.44Å
C11	C12	sing	1.51Å	1.51Å
C21	C22	sing	1.38Å	1.39Å	Aromatic
C22	F23	sing	1.35Å	1.35Å
N7	C12	sing	1.47Å	1.48Å
N7	C4	sing	1.38Å	1.39Å
C3	C4	doub	1.41Å	1.42Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C4	N5	sing	1.32Å	1.33Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
N5	C6	doub	1.32Å	1.32Å	Aromatic
C1	C6	sing	1.38Å	1.38Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
N16	H12	sing	0.97Å	1.00Å
N16	H13	sing	0.97Å	1.00Å
C18	H14	sing	1.08Å	1.08Å
C19	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N16	C14	N15	123.0°	123.3°
N16	C14	O13	122.6°	123.2°
C14	N16	H12	120.0°	120.0°
C14	N16	H13	120.0°	120.0°
C14	N15	C10	109.7°	108.0°
N15	C14	O13	114.4°	113.5°
N15	C10	C17	109.4°	111.2°
N15	C10	C9	115.4°	107.5°
N15	C10	C11	102.9°	100.7°
C18	C19	C20	120.3°	120.0°
C19	C18	C17	120.5°	120.1°
C19	C18	H14	119.7°	120.0°
C18	C19	H15	119.8°	120.0°
C19	C20	F24	120.5°	120.0°
C19	C20	C21	119.6°	120.0°
C20	C19	H15	119.8°	120.0°
C18	C17	C10	119.1°	120.0°
C18	C17	C22	118.9°	120.0°
C17	C18	H14	119.8°	120.0°
C14	O13	C11	108.9°	106.3°
F24	C20	C21	119.9°	120.0°
N26	C25	C3	179.3°	180.0°
C20	C21	C22	120.1°	119.9°
C20	C21	H4	119.9°	120.0°
C17	C10	C9	106.9°	111.0°
C17	C10	C11	111.8°	111.6°
C10	C17	C22	122.0°	120.0°
C9	C10	C11	110.6°	114.2°
C10	C9	C8	110.3°	115.1°
C10	C9	H7	109.3°	108.4°
C10	C9	H8	109.3°	108.3°
C10	C11	O13	104.1°	101.9°
C10	C11	C12	109.3°	114.2°
C10	C11	H9	107.9°	109.5°
C17	C22	C21	120.5°	120.0°
C17	C22	F23	121.8°	120.0°
O13	C11	C12	116.4°	113.0°
O13	C11	H9	110.0°	108.7°
C9	C8	N7	112.3°	110.9°
C9	C8	H2	108.8°	109.2°
C9	C8	H3	108.8°	109.2°
C8	C9	H7	109.3°	108.4°
C8	C9	H8	109.3°	108.3°
C8	N7	C12	112.2°	109.5°
C8	N7	C4	117.2°	111.0°
N7	C8	H2	108.8°	109.2°
N7	C8	H3	108.8°	109.2°
C25	C3	C4	124.9°	120.7°
C25	C3	C2	117.2°	120.6°
C11	C12	N7	106.1°	110.6°
C12	C11	H9	108.8°	109.3°
C11	C12	H10	110.3°	109.2°
C11	C12	H11	110.3°	109.2°
C21	C22	F23	117.7°	120.0°
C22	C21	H4	119.9°	120.0°
C12	N7	C4	110.1°	111.0°
N7	C12	H10	110.3°	109.3°
N7	C12	H11	110.3°	109.3°
N7	C4	C3	125.0°	119.8°
N7	C4	N5	115.7°	119.8°
C4	C3	C2	117.9°	118.7°
C3	C4	N5	119.2°	120.4°
C3	C2	C1	119.8°	118.4°
C3	C2	H6	120.1°	120.8°
C4	N5	C6	123.2°	121.8°
C2	C1	C6	119.1°	119.5°
C2	C1	H5	120.5°	120.2°
C1	C2	H6	120.1°	120.8°
N5	C6	C1	120.8°	121.2°
N5	C6	H1	119.6°	119.4°
C1	C6	H1	119.6°	119.4°
C6	C1	H5	120.5°	120.3°
H2	C8	H3	109.5°	109.2°
H7	C9	H8	109.5°	108.2°
H10	C12	H11	109.4°	109.2°
H12	N16	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N16	C14	N15	O13	179.9°	179.8°
N16	C14	N15	C10	179.2°	179.9°
N16	C14	O13	C11	178.1°	160.1°
C14	N16	H12	H13	180.0°	179.9°
C14	N15	C10	C17	121.8°	136.6°
C14	N15	C10	C9	117.7°	101.7°
C14	N15	C10	C11	2.9°	18.2°
N15	C14	O13	C11	1.8°	20.1°
N15	C14	N16	H12	0.0°	179.6°
N15	C14	N16	H13	180.0°	0.3°
N15	C10	C17	C18	6.9°	121.5°
C10	N15	C14	O13	0.9°	0.1°
N15	C10	C17	C9	125.5°	119.6°
N15	C10	C17	C11	113.3°	111.6°
N15	C10	C9	C11	116.2°	110.8°
N15	C10	C17	C22	174.3°	58.8°
N15	C10	C11	O13	3.8°	28.4°
N15	C10	C9	C8	66.1°	145.6°
N15	C10	C11	C12	128.8°	150.5°
N15	C10	C9	H7	173.8°	24.1°
N15	C10	C9	H8	54.0°	93.0°
N15	C10	C11	H9	113.1°	86.6°
C18	C19	C20	H15	180.0°	180.0°
C19	C18	C17	H14	180.0°	180.0°
C18	C19	C20	F24	179.9°	180.0°
C18	C19	C20	C21	0.2°	0.3°
C19	C18	C17	C10	179.4°	180.0°
C19	C18	C17	C22	0.6°	0.3°
C20	C19	C18	C17	0.4°	0.0°
C19	C20	F24	C21	179.8°	179.7°
C19	C20	C21	C22	0.1°	0.3°
C19	C20	C21	H4	179.9°	180.0°
C20	C19	C18	H14	179.6°	180.0°
C18	C17	C10	C22	178.8°	179.7°
C18	C17	C10	C9	118.6°	118.9°
C18	C17	C10	C11	120.2°	9.8°
C18	C17	C22	C21	0.5°	0.3°
C18	C17	C22	F23	179.9°	179.8°
C17	C18	C19	H15	179.6°	180.0°
C14	O13	C11	C10	3.4°	29.8°
C14	O13	C11	C12	123.8°	152.8°
C14	O13	C11	H9	112.0°	85.7°
O13	C14	N16	H12	179.9°	0.1°
O13	C14	N16	H13	0.1°	180.0°
F24	C20	C21	C22	179.9°	180.0°
F24	C20	C21	H4	0.1°	0.3°
F24	C20	C19	H15	0.1°	0.0°
N26	C25	C3	C4	155.4°	21.8°
N26	C25	C3	C2	24.2°	158.2°
C20	C21	C22	C17	0.3°	0.0°
C20	C21	C22	H4	180.0°	179.8°
C20	C21	C22	F23	179.9°	180.0°
C21	C20	C19	H15	179.9°	179.7°
C17	C10	C9	C11	121.9°	127.3°
C17	C10	C11	O13	121.0°	146.5°
C17	C10	C9	C8	172.1°	92.6°
C17	C10	C11	C12	114.0°	91.3°
C10	C17	C22	C21	179.3°	180.0°
C10	C17	C22	F23	1.1°	0.0°
C17	C10	C9	H7	52.0°	146.0°
C17	C10	C9	H8	67.8°	28.8°
C17	C10	C11	H9	4.2°	31.6°
C10	C17	C18	H14	0.6°	0.0°
C9	C10	C17	C22	60.2°	60.9°
C9	C10	C11	O13	120.0°	86.5°
C10	C9	C8	H7	120.1°	121.5°
C10	C9	C8	H8	120.1°	121.4°
C10	C9	C8	N7	49.8°	48.6°
C9	C10	C11	C12	5.0°	35.6°
C10	C9	C8	H2	170.2°	169.0°
C10	C9	C8	H3	70.7°	71.7°
C10	C9	H7	H8	119.7°	117.2°
C9	C10	C11	H9	123.1°	158.5°
C11	C10	C17	C22	61.0°	170.4°
C10	C11	O13	C12	120.3°	123.0°
C10	C11	O13	H9	115.4°	115.6°
C11	C10	C9	C8	50.2°	34.7°
C10	C11	C12	H9	117.6°	123.0°
C10	C11	C12	N7	62.9°	50.4°
C11	C10	C9	H7	69.9°	86.7°
C11	C10	C9	H8	170.3°	156.1°
C10	C11	C12	H10	177.6°	69.9°
C10	C11	C12	H11	56.6°	170.7°
C17	C22	C21	F23	179.6°	179.9°
C17	C22	C21	H4	179.7°	179.7°
C22	C17	C18	H14	179.4°	179.7°
O13	C11	C12	H9	124.9°	121.1°
O13	C11	C12	N7	54.6°	65.4°
O13	C11	C12	H10	64.9°	174.3°
O13	C11	C12	H11	174.1°	54.9°
C9	C8	N7	H2	120.4°	120.4°
C9	C8	N7	H3	120.4°	120.3°
C9	C8	N7	C12	9.0°	63.4°
C9	C8	N7	C4	137.9°	173.7°
C9	C8	H2	H3	118.7°	119.3°
C8	C9	H7	H8	119.6°	117.3°
C8	N7	C12	C11	66.4°	64.6°
C8	N7	C12	C4	132.5°	122.9°
C8	N7	C4	C3	50.1°	119.0°
C8	N7	C4	N5	131.7°	61.2°
N7	C8	H2	H3	118.7°	119.3°
N7	C8	C9	H7	70.4°	72.9°
N7	C8	C9	H8	169.9°	170.0°
C8	N7	C12	H10	174.1°	55.8°
C8	N7	C12	H11	53.1°	175.2°
C25	C3	C4	N7	1.4°	0.3°
C25	C3	C4	C2	179.5°	180.0°
C25	C3	C4	N5	179.5°	180.0°
C25	C3	C2	C1	179.9°	180.0°
C25	C3	C2	H6	0.1°	0.0°
C11	C12	N7	H10	119.5°	120.3°
C11	C12	N7	H11	119.5°	120.3°
C11	C12	N7	C4	161.1°	172.6°
C11	C12	H10	H11	121.6°	119.4°
F23	C22	C21	H4	0.1°	0.2°
C12	N7	C4	C3	180.0°	118.9°
C12	N7	C4	N5	1.8°	60.8°
C12	N7	C8	H2	111.5°	176.2°
C12	N7	C8	H3	129.4°	56.9°
N7	C12	C11	H9	179.5°	173.5°
N7	C12	H10	H11	121.6°	119.4°
N7	C4	C3	N5	178.2°	179.7°
N7	C4	C3	C2	179.1°	179.7°
N7	C4	N5	C6	179.1°	179.7°
C4	N7	C8	H2	17.4°	53.3°
C4	N7	C8	H3	101.7°	66.0°
C4	N7	C12	H10	41.6°	67.1°
C4	N7	C12	H11	79.4°	52.3°
C4	C3	C2	C1	0.5°	0.0°
C3	C4	N5	C6	0.8°	0.0°
C4	C3	C2	H6	179.5°	180.0°
C2	C3	C4	N5	1.0°	0.0°
C3	C2	C1	H6	180.0°	179.9°
C3	C2	C1	C6	0.1°	0.1°
C3	C2	C1	H5	179.9°	180.0°
C4	N5	C6	C1	0.1°	0.0°
C4	N5	C6	H1	179.9°	180.0°
C2	C1	C6	N5	0.3°	0.1°
C2	C1	C6	H5	180.0°	179.9°
C2	C1	C6	H1	179.7°	180.0°
N5	C6	C1	H1	180.0°	179.9°
N5	C6	C1	H5	179.7°	180.0°
C6	C1	C2	H6	179.9°	180.0°
H1	C6	C1	H5	0.3°	0.1°
H2	C8	C9	H7	50.1°	47.5°
H2	C8	C9	H8	69.7°	69.6°
H3	C8	C9	H7	169.2°	166.8°
H3	C8	C9	H8	49.5°	49.7°
H5	C1	C2	H6	0.1°	0.1°
H9	C11	C12	H10	60.0°	53.1°
H9	C11	C12	H11	61.0°	66.2°
H14	C18	C19	H15	0.4°	0.0°

Release date:	2013-09-18
Definition date:	2013-06-25
Last modified:	2013-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	4L7H