1NW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F28	C3	sing	1.35Å	1.34Å
F30	C27	sing	1.40Å	1.37Å
F29	C27	sing	1.40Å	1.36Å
C39	C40	doub	1.38Å	1.41Å	Aromatic
C39	N38	sing	1.32Å	1.38Å	Aromatic
F19	C27	sing	1.40Å	1.38Å
C40	C41	sing	1.38Å	1.42Å	Aromatic
N38	C37	doub	1.32Å	1.39Å	Aromatic
C27	C26	sing	1.51Å	1.55Å
C3	C2	doub	1.38Å	1.41Å	Aromatic
C3	C4	sing	1.39Å	1.41Å	Aromatic
C41	C36	doub	1.39Å	1.43Å	Aromatic
C37	C36	sing	1.39Å	1.42Å	Aromatic
C2	C1	sing	1.38Å	1.42Å	Aromatic
C36	N35	sing	1.40Å	1.44Å
O34	C33	doub	1.22Å	1.23Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C33	N35	sing	1.35Å	1.42Å
C33	C25	sing	1.48Å	1.50Å
C26	C25	doub	1.40Å	1.48Å	Aromatic
C26	C21	sing	1.39Å	1.46Å	Aromatic
C1	F31	sing	1.35Å	1.34Å
C1	C6	doub	1.38Å	1.42Å	Aromatic
O20	C14	sing	1.36Å	1.39Å
O20	C21	sing	1.36Å	1.40Å
C25	C24	sing	1.40Å	1.42Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C5	F32	sing	1.35Å	1.33Å
C14	C15	doub	1.39Å	1.42Å	Aromatic
C14	C13	sing	1.38Å	1.42Å	Aromatic
C15	C16	sing	1.38Å	1.43Å	Aromatic
C21	C22	doub	1.39Å	1.44Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C13	C12	doub	1.39Å	1.44Å	Aromatic
C16	C11	doub	1.39Å	1.43Å	Aromatic
C12	C11	sing	1.41Å	1.45Å	Aromatic
C12	C17	sing	1.47Å	1.52Å
C11	N10	sing	1.38Å	1.45Å
C24	C23	doub	1.38Å	1.41Å	Aromatic
O18	C17	doub	1.22Å	1.24Å
C17	N8	sing	1.35Å	1.39Å
N10	C7	sing	1.46Å	1.49Å
N10	C9	sing	1.34Å	1.38Å
C22	C23	sing	1.38Å	1.41Å	Aromatic
N8	C9	doub	1.30Å	1.30Å
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.08Å	1.08Å
C24	H11	sing	1.08Å	1.08Å
N35	H12	sing	0.97Å	1.00Å
C37	H13	sing	1.08Å	1.08Å
C39	H14	sing	1.08Å	1.08Å
C40	H15	sing	1.08Å	1.08Å
C41	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F28	C3	C2	120.3°	120.1°
F28	C3	C4	119.3°	120.0°
F30	C27	F29	102.5°	109.5°
F30	C27	F19	108.5°	109.4°
F30	C27	C26	114.1°	109.4°
F29	C27	F19	103.7°	109.5°
F29	C27	C26	114.4°	109.5°
C40	C39	N38	123.4°	120.9°
C39	C40	C41	117.8°	119.2°
C40	C39	H14	118.3°	119.5°
C39	C40	H15	121.1°	120.4°
C39	N38	C37	117.4°	121.8°
N38	C39	H14	118.3°	119.6°
F19	C27	C26	112.6°	109.5°
C40	C41	C36	121.1°	118.4°
C41	C40	H15	121.1°	120.4°
C40	C41	H16	119.5°	120.8°
N38	C37	C36	124.1°	120.6°
N38	C37	H13	117.9°	119.7°
C27	C26	C25	123.1°	120.1°
C27	C26	C21	120.9°	120.1°
C2	C3	C4	120.4°	120.0°
C3	C2	C1	118.7°	120.1°
C3	C2	H1	120.7°	119.9°
C3	C4	C5	119.7°	120.0°
C3	C4	H2	120.1°	120.0°
C41	C36	C37	116.1°	119.0°
C41	C36	N35	119.7°	120.5°
C36	C41	H16	119.4°	120.8°
C37	C36	N35	124.2°	120.5°
C36	C37	H13	118.0°	119.7°
C2	C1	F31	118.8°	120.0°
C2	C1	C6	121.6°	120.0°
C1	C2	H1	120.7°	120.0°
C36	N35	C33	130.6°	120.0°
C36	N35	H12	114.7°	120.0°
O34	C33	N35	129.3°	120.0°
O34	C33	C25	117.2°	120.0°
C4	C5	C6	121.8°	120.0°
C4	C5	F32	118.6°	120.0°
C5	C4	H2	120.2°	120.0°
N35	C33	C25	113.4°	120.0°
C33	N35	H12	114.7°	120.0°
C33	C25	C26	124.3°	120.1°
C33	C25	C24	114.7°	120.1°
C25	C26	C21	116.0°	119.8°
C26	C25	C24	121.0°	119.7°
C26	C21	O20	119.7°	120.0°
C26	C21	C22	121.0°	120.0°
F31	C1	C6	119.6°	120.0°
C1	C6	C5	117.8°	120.0°
C1	C6	C7	121.8°	120.0°
C14	O20	C21	122.2°	118.0°
O20	C14	C15	124.9°	119.8°
O20	C14	C13	115.7°	119.9°
O20	C21	C22	119.3°	120.0°
C25	C24	C23	121.0°	120.0°
C25	C24	H11	119.5°	120.0°
C6	C5	F32	119.6°	120.0°
C5	C6	C7	120.3°	120.0°
C15	C14	C13	119.5°	120.3°
C14	C15	C16	120.1°	120.7°
C14	C15	H7	119.9°	119.7°
C14	C13	C12	120.0°	119.5°
C14	C13	H6	120.0°	120.2°
C15	C16	C11	122.9°	119.7°
C16	C15	H7	120.0°	119.6°
C15	C16	H8	118.6°	120.1°
C21	C22	C23	121.0°	120.3°
C21	C22	H9	119.5°	119.9°
C6	C7	N10	110.5°	109.5°
C6	C7	H3	109.2°	109.5°
C6	C7	H4	109.2°	109.5°
C13	C12	C11	122.0°	120.1°
C13	C12	C17	120.2°	122.1°
C12	C13	H6	120.0°	120.3°
C16	C11	C12	115.4°	119.8°
C16	C11	N10	126.1°	121.9°
C11	C16	H8	118.5°	120.1°
C11	C12	C17	117.7°	117.8°
C12	C11	N10	118.5°	118.4°
C12	C17	O18	118.9°	120.9°
C12	C17	N8	119.0°	118.1°
C11	N10	C7	124.1°	119.8°
C11	N10	C9	116.6°	120.5°
C24	C23	C22	120.0°	120.2°
C24	C23	H10	120.0°	119.9°
C23	C24	H11	119.5°	120.0°
O18	C17	N8	122.2°	121.0°
C17	N8	C9	119.3°	121.8°
C7	N10	C9	118.9°	119.8°
N10	C7	H3	109.2°	109.5°
N10	C7	H4	109.2°	109.5°
N10	C9	N8	128.9°	123.5°
N10	C9	H5	115.6°	118.3°
C23	C22	H9	119.5°	119.8°
C22	C23	H10	120.0°	119.9°
N8	C9	H5	115.5°	118.3°
H3	C7	H4	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F28	C3	C2	C4	179.9°	180.0°
F28	C3	C2	C1	179.8°	180.0°
F28	C3	C4	C5	179.8°	180.0°
F28	C3	C2	H1	0.2°	0.0°
F28	C3	C4	H2	0.2°	0.1°
F30	C27	F29	F19	112.9°	120.0°
F30	C27	F29	C26	124.1°	120.0°
F30	C27	F19	C26	127.3°	120.0°
F30	C27	C26	C25	52.6°	177.7°
F30	C27	C26	C21	127.4°	2.8°
F29	C27	F19	C26	124.3°	120.0°
F29	C27	C26	C25	170.2°	62.3°
F29	C27	C26	C21	9.8°	117.2°
C40	C39	N38	H14	180.0°	179.8°
C39	C40	C41	H15	180.0°	179.7°
C40	C39	N38	C37	0.2°	0.0°
C39	C40	C41	C36	0.0°	0.5°
C39	C40	C41	H16	180.0°	180.0°
N38	C39	C40	C41	0.2°	0.2°
C39	N38	C37	C36	0.0°	0.0°
C39	N38	C37	H13	180.0°	179.9°
N38	C39	C40	H15	179.8°	180.0°
F19	C27	C26	C25	71.7°	57.7°
F19	C27	C26	C21	108.3°	122.8°
C40	C41	C36	H16	180.0°	179.5°
C40	C41	C36	C37	0.2°	0.6°
C40	C41	C36	N35	179.5°	179.8°
C41	C40	C39	H14	179.8°	180.0°
N38	C37	C36	C41	0.1°	0.3°
N38	C37	C36	H13	180.0°	179.9°
N38	C37	C36	N35	179.5°	180.0°
C37	N38	C39	H14	179.7°	179.8°
C27	C26	C25	C33	0.5°	0.2°
C27	C26	C25	C21	180.0°	179.5°
C27	C26	C21	O20	0.6°	0.3°
C27	C26	C25	C24	179.9°	180.0°
C27	C26	C21	C22	180.0°	180.0°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.0°
C3	C2	C1	F31	179.9°	180.0°
C3	C2	C1	C6	0.1°	0.3°
C2	C3	C4	H2	179.8°	179.9°
C4	C3	C2	C1	0.2°	0.0°
C3	C4	C5	H2	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	F32	179.9°	180.0°
C4	C3	C2	H1	179.8°	180.0°
C41	C36	C37	N35	179.7°	179.6°
C41	C36	N35	C33	18.0°	33.6°
C41	C36	N35	H12	162.0°	146.4°
C41	C36	C37	H13	179.9°	179.8°
C36	C41	C40	H15	180.0°	179.7°
C37	C36	N35	C33	161.6°	146.7°
C37	C36	N35	H12	18.3°	33.2°
C37	C36	C41	H16	179.8°	180.0°
C2	C1	F31	C6	179.8°	179.7°
C2	C1	C6	C5	0.3°	0.6°
C2	C1	C6	C7	179.0°	179.8°
C36	N35	C33	O34	0.4°	5.5°
C36	N35	C33	H12	180.0°	180.0°
C36	N35	C33	C25	179.7°	174.6°
N35	C36	C37	H13	0.5°	0.1°
N35	C36	C41	H16	0.5°	0.3°
O34	C33	N35	C25	180.0°	179.9°
O34	C33	C25	C26	57.3°	4.4°
O34	C33	C25	C24	123.0°	175.7°
O34	C33	N35	H12	179.7°	174.5°
C4	C5	C6	C1	0.3°	0.6°
C4	C5	C6	F32	179.9°	179.7°
C4	C5	C6	C7	179.0°	179.8°
N35	C33	C25	C26	122.7°	175.5°
N35	C33	C25	C24	57.0°	4.3°
C33	C25	C26	C24	179.6°	179.8°
C33	C25	C26	C21	179.5°	179.7°
C33	C25	C24	C23	179.6°	179.9°
C33	C25	C24	H11	0.4°	0.0°
C25	C33	N35	H12	0.3°	5.4°
C25	C26	C21	O20	179.5°	179.8°
C25	C26	C21	C22	0.0°	0.5°
C26	C25	C24	C23	0.0°	0.2°
C26	C25	C24	H11	180.0°	179.8°
C26	C21	O20	C14	110.1°	175.6°
C26	C21	O20	C22	179.5°	179.7°
C21	C26	C25	C24	0.1°	0.5°
C26	C21	C22	C23	0.1°	0.3°
C26	C21	C22	H9	179.9°	179.8°
F31	C1	C6	C5	179.9°	179.7°
F31	C1	C6	C7	0.8°	0.0°
F31	C1	C2	H1	0.2°	0.0°
C1	C6	C5	C7	179.3°	179.7°
C1	C6	C5	F32	179.8°	179.7°
C1	C6	C7	N10	71.3°	83.1°
C6	C1	C2	H1	180.0°	179.7°
C1	C6	C7	H3	168.5°	156.9°
C1	C6	C7	H4	48.8°	36.9°
O20	C14	C15	C13	179.5°	180.0°
O20	C14	C15	C16	179.7°	180.0°
C14	O20	C21	C22	70.4°	4.1°
O20	C14	C13	C12	179.6°	180.0°
O20	C14	C13	H6	0.4°	0.0°
O20	C14	C15	H7	0.3°	0.0°
C21	O20	C14	C15	49.7°	102.8°
C21	O20	C14	C13	130.9°	77.2°
O20	C21	C22	C23	179.6°	180.0°
O20	C21	C22	H9	0.4°	0.1°
C25	C24	C23	H11	180.0°	179.9°
C25	C24	C23	C22	0.1°	0.0°
C25	C24	C23	H10	179.9°	180.0°
C5	C6	C7	N10	108.0°	96.6°
C6	C5	C4	H2	179.9°	179.8°
C5	C6	C7	H3	12.2°	23.4°
C5	C6	C7	H4	131.8°	143.4°
F32	C5	C6	C7	0.9°	0.0°
F32	C5	C4	H2	0.1°	0.1°
C14	C15	C16	H7	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.0°
C14	C15	C16	C11	0.2°	0.0°
C15	C14	C13	H6	179.9°	180.0°
C14	C15	C16	H8	179.8°	180.0°
C13	C14	C15	C16	0.2°	0.0°
C14	C13	C12	H6	180.0°	179.9°
C14	C13	C12	C11	0.0°	0.0°
C14	C13	C12	C17	179.8°	179.9°
C13	C14	C15	H7	179.8°	180.0°
C15	C16	C11	H8	180.0°	180.0°
C15	C16	C11	C12	0.1°	0.0°
C15	C16	C11	N10	180.0°	179.9°
C21	C22	C23	C24	0.2°	0.1°
C21	C22	C23	H9	180.0°	179.9°
C21	C22	C23	H10	179.8°	180.0°
C6	C7	N10	C11	78.2°	96.1°
C6	C7	N10	H3	120.2°	120.0°
C6	C7	N10	H4	120.1°	120.0°
C6	C7	N10	C9	109.4°	83.9°
C6	C7	H3	H4	119.5°	120.0°
C13	C12	C11	C16	0.0°	0.0°
C13	C12	C11	C17	179.8°	179.9°
C13	C12	C11	N10	179.9°	179.9°
C13	C12	C17	O18	0.4°	0.1°
C13	C12	C17	N8	179.4°	179.9°
C16	C11	C12	N10	179.9°	180.0°
C16	C11	C12	C17	179.8°	179.9°
C16	C11	N10	C7	8.3°	0.1°
C16	C11	N10	C9	179.1°	179.9°
C11	C16	C15	H7	179.8°	180.0°
C11	C12	C17	O18	179.9°	180.0°
C11	C12	C17	N8	0.4°	0.0°
C12	C11	N10	C7	171.5°	180.0°
C12	C11	N10	C9	1.1°	0.0°
C11	C12	C13	H6	180.0°	180.0°
C12	C11	C16	H8	179.9°	180.0°
C17	C12	C11	N10	0.3°	0.0°
C12	C17	O18	N8	179.7°	180.0°
C12	C17	N8	C9	0.3°	0.0°
C17	C12	C13	H6	0.2°	0.1°
C11	N10	C7	C9	172.4°	180.0°
C11	N10	C9	N8	1.2°	0.0°
C11	N10	C7	H3	42.0°	23.9°
C11	N10	C7	H4	161.7°	143.9°
C11	N10	C9	H5	178.7°	179.9°
N10	C11	C16	H8	0.0°	0.1°
C24	C23	C22	H10	180.0°	180.0°
C24	C23	C22	H9	179.8°	180.0°
O18	C17	N8	C9	179.9°	180.0°
C17	N8	C9	N10	0.5°	0.0°
C17	N8	C9	H5	179.5°	179.9°
C7	N10	C9	N8	171.7°	180.0°
N10	C7	H3	H4	119.5°	120.0°
C7	N10	C9	H5	8.3°	0.0°
N10	C9	N8	H5	180.0°	179.9°
C9	N10	C7	H3	130.4°	156.1°
C9	N10	C7	H4	10.7°	36.1°
C22	C23	C24	H11	179.9°	180.0°
H7	C15	C16	H8	0.2°	0.0°
H9	C22	C23	H10	0.2°	0.1°
H10	C23	C24	H11	0.1°	0.1°
H14	C39	C40	H15	0.2°	0.2°
H15	C40	C41	H16	0.0°	0.3°

Release date:	2013-07-03
Definition date:	2013-04-08
Last modified:	2013-06-28
Release status:	REL
Processing site:	RCSB
Derived from:	4JTZ