1NV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F28	C3	sing	1.35Å	1.32Å
F30	C27	sing	1.40Å	1.37Å
F29	C27	sing	1.40Å	1.38Å
F19	C27	sing	1.40Å	1.39Å
C3	C2	doub	1.38Å	1.42Å	Aromatic
C3	C4	sing	1.38Å	1.43Å	Aromatic
C27	C26	sing	1.51Å	1.54Å
C2	C1	sing	1.38Å	1.44Å	Aromatic
C4	C5	doub	1.38Å	1.44Å	Aromatic
N35	C33	sing	1.35Å	1.38Å
O34	C33	doub	1.21Å	1.26Å
C33	C25	sing	1.48Å	1.49Å
C26	C25	doub	1.39Å	1.50Å	Aromatic
C26	C21	sing	1.39Å	1.46Å	Aromatic
C1	F31	sing	1.35Å	1.38Å
C1	C6	doub	1.38Å	1.45Å	Aromatic
O20	C14	sing	1.36Å	1.40Å
O20	C21	sing	1.36Å	1.43Å
C5	C6	sing	1.38Å	1.46Å	Aromatic
C5	F32	sing	1.35Å	1.35Å
C25	C24	sing	1.40Å	1.47Å	Aromatic
C14	C15	doub	1.39Å	1.45Å	Aromatic
C14	C13	sing	1.38Å	1.43Å	Aromatic
C21	C22	doub	1.39Å	1.48Å	Aromatic
C6	C7	sing	1.51Å	1.53Å
C15	C16	sing	1.38Å	1.42Å	Aromatic
C13	C12	doub	1.39Å	1.44Å	Aromatic
C16	C11	doub	1.39Å	1.44Å	Aromatic
C12	C11	sing	1.41Å	1.49Å	Aromatic
C12	C17	sing	1.47Å	1.50Å
O18	C17	doub	1.22Å	1.27Å
C24	C23	doub	1.38Å	1.42Å	Aromatic
C11	N10	sing	1.38Å	1.47Å
C17	N8	sing	1.35Å	1.41Å
C22	C23	sing	1.38Å	1.41Å	Aromatic
C7	N10	sing	1.47Å	1.54Å
N8	C9	doub	1.30Å	1.33Å
N10	C9	sing	1.34Å	1.41Å
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
N35	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F28	C3	C2	119.7°	120.0°
F28	C3	C4	119.3°	120.0°
F30	C27	F29	108.2°	109.5°
F30	C27	F19	103.7°	109.5°
F30	C27	C26	113.8°	109.5°
F29	C27	F19	103.9°	109.4°
F29	C27	C26	113.2°	109.5°
F19	C27	C26	113.2°	109.5°
C2	C3	C4	121.0°	120.1°
C3	C2	C1	119.4°	120.0°
C3	C2	H1	120.3°	120.0°
C3	C4	C5	119.7°	120.0°
C3	C4	H2	120.1°	120.1°
C27	C26	C25	127.6°	120.1°
C27	C26	C21	116.9°	120.1°
C2	C1	F31	118.4°	120.0°
C2	C1	C6	121.6°	120.0°
C1	C2	H1	120.3°	120.0°
C4	C5	C6	121.0°	120.0°
C4	C5	F32	117.8°	120.0°
C5	C4	H2	120.1°	120.0°
N35	C33	O34	129.4°	120.0°
N35	C33	C25	106.6°	120.0°
C33	N35	H12	120.0°	120.0°
C33	N35	H13	120.0°	120.0°
O34	C33	C25	124.1°	120.0°
C33	C25	C26	127.8°	120.1°
C33	C25	C24	112.3°	120.1°
C25	C26	C21	115.6°	119.8°
C26	C25	C24	119.9°	119.8°
C26	C21	O20	116.0°	120.0°
C26	C21	C22	121.8°	120.0°
F31	C1	C6	120.1°	120.0°
C1	C6	C5	117.3°	120.0°
C1	C6	C7	120.2°	120.0°
C14	O20	C21	118.4°	118.1°
O20	C14	C15	124.1°	119.8°
O20	C14	C13	115.6°	119.8°
O20	C21	C22	122.2°	120.0°
C6	C5	F32	121.2°	120.0°
C5	C6	C7	122.4°	120.0°
C25	C24	C23	122.2°	119.9°
C25	C24	H11	118.9°	120.1°
C15	C14	C13	120.3°	120.3°
C14	C15	C16	119.6°	120.7°
C14	C15	H7	120.2°	119.6°
C14	C13	C12	119.1°	119.4°
C14	C13	H6	120.5°	120.3°
C21	C22	C23	121.3°	120.2°
C21	C22	H9	119.3°	119.8°
C6	C7	N10	110.2°	109.5°
C6	C7	H3	109.3°	109.5°
C6	C7	H4	109.3°	109.5°
C15	C16	C11	123.3°	119.8°
C16	C15	H7	120.2°	119.7°
C15	C16	H8	118.4°	120.1°
C13	C12	C11	122.6°	120.1°
C13	C12	C17	119.2°	122.0°
C12	C13	H6	120.4°	120.3°
C16	C11	C12	115.1°	119.7°
C16	C11	N10	125.1°	121.9°
C11	C16	H8	118.3°	120.1°
C11	C12	C17	118.2°	117.9°
C12	C11	N10	119.7°	118.3°
C12	C17	O18	119.9°	121.0°
C12	C17	N8	118.3°	118.1°
O18	C17	N8	121.8°	121.0°
C24	C23	C22	119.2°	120.3°
C24	C23	H10	120.4°	119.9°
C23	C24	H11	118.9°	120.0°
C11	N10	C7	123.4°	119.7°
C11	N10	C9	114.9°	120.5°
C17	N8	C9	120.3°	121.8°
C23	C22	H9	119.4°	120.0°
C22	C23	H10	120.4°	119.8°
C7	N10	C9	119.8°	119.7°
N10	C7	H3	109.3°	109.4°
N10	C7	H4	109.3°	109.4°
N8	C9	N10	128.5°	123.4°
N8	C9	H5	115.7°	118.3°
N10	C9	H5	115.7°	118.3°
H3	C7	H4	109.4°	109.5°
H12	N35	H13	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F28	C3	C2	C4	179.8°	179.9°
F28	C3	C2	C1	179.7°	179.9°
F28	C3	C4	C5	179.8°	180.0°
F28	C3	C2	H1	0.3°	0.1°
F28	C3	C4	H2	0.2°	0.0°
F30	C27	F29	F19	109.7°	120.0°
F30	C27	F29	C26	127.1°	120.1°
F30	C27	F19	C26	123.9°	120.0°
F30	C27	C26	C25	0.9°	178.9°
F30	C27	C26	C21	179.0°	1.6°
F29	C27	F19	C26	123.1°	120.0°
F29	C27	C26	C25	124.9°	61.0°
F29	C27	C26	C21	55.0°	118.4°
F19	C27	C26	C25	117.2°	58.9°
F19	C27	C26	C21	62.9°	121.6°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C3	C2	C1	F31	180.0°	180.0°
C3	C2	C1	C6	0.3°	0.3°
C2	C3	C4	H2	180.0°	179.9°
C4	C3	C2	C1	0.1°	0.0°
C3	C4	C5	H2	180.0°	179.9°
C3	C4	C5	C6	0.5°	0.2°
C3	C4	C5	F32	180.0°	179.9°
C4	C3	C2	H1	179.9°	180.0°
C27	C26	C25	C33	0.1°	0.2°
C27	C26	C25	C21	179.9°	179.5°
C27	C26	C21	O20	0.2°	0.3°
C27	C26	C25	C24	180.0°	180.0°
C27	C26	C21	C22	179.8°	180.0°
C2	C1	F31	C6	179.7°	179.7°
C2	C1	C6	C5	0.8°	0.5°
C2	C1	C6	C7	179.2°	179.7°
C4	C5	C6	C1	0.8°	0.5°
C4	C5	C6	F32	179.5°	179.9°
C4	C5	C6	C7	179.2°	179.7°
N35	C33	O34	C25	179.7°	179.9°
N35	C33	C25	C26	93.2°	176.1°
N35	C33	C25	C24	86.7°	3.7°
C33	N35	H12	H13	180.0°	180.0°
O34	C33	C25	C26	86.6°	3.8°
O34	C33	C25	C24	93.5°	176.4°
O34	C33	N35	H12	0.0°	180.0°
O34	C33	N35	H13	180.0°	0.1°
C33	C25	C26	C24	179.9°	179.8°
C33	C25	C26	C21	179.8°	179.7°
C33	C25	C24	C23	179.7°	180.0°
C33	C25	C24	H11	0.3°	0.0°
C25	C33	N35	H12	179.8°	0.1°
C25	C33	N35	H13	0.2°	180.0°
C25	C26	C21	O20	179.9°	179.8°
C25	C26	C21	C22	0.1°	0.6°
C26	C25	C24	C23	0.2°	0.2°
C26	C25	C24	H11	179.8°	179.8°
C26	C21	O20	C14	122.5°	175.2°
C26	C21	O20	C22	180.0°	179.7°
C21	C26	C25	C24	0.1°	0.5°
C26	C21	C22	C23	0.3°	0.3°
C26	C21	C22	H9	179.7°	179.7°
F31	C1	C6	C5	179.6°	179.8°
F31	C1	C6	C7	0.4°	0.0°
F31	C1	C2	H1	0.0°	0.0°
C1	C6	C5	C7	180.0°	179.8°
C1	C6	C5	F32	179.6°	179.7°
C1	C6	C7	N10	70.4°	83.6°
C6	C1	C2	H1	179.7°	179.7°
C1	C6	C7	H3	169.5°	156.5°
C1	C6	C7	H4	49.7°	36.4°
O20	C14	C15	C13	179.5°	179.9°
C14	O20	C21	C22	57.5°	4.5°
O20	C14	C15	C16	179.2°	180.0°
O20	C14	C13	C12	179.0°	179.9°
O20	C14	C13	H6	1.0°	0.1°
O20	C14	C15	H7	0.8°	0.1°
C21	O20	C14	C15	42.2°	103.8°
C21	O20	C14	C13	137.3°	76.0°
O20	C21	C22	C23	179.7°	180.0°
O20	C21	C22	H9	0.3°	0.1°
C5	C6	C7	N10	109.6°	96.2°
C6	C5	C4	H2	179.6°	179.9°
C5	C6	C7	H3	10.5°	23.8°
C5	C6	C7	H4	130.3°	143.8°
F32	C5	C6	C7	0.3°	0.1°
F32	C5	C4	H2	0.0°	0.0°
C25	C24	C23	H11	180.0°	180.0°
C25	C24	C23	C22	0.0°	0.1°
C25	C24	C23	H10	180.0°	180.0°
C14	C15	C16	H7	180.0°	180.0°
C15	C14	C13	C12	0.5°	0.1°
C14	C15	C16	C11	0.1°	0.1°
C15	C14	C13	H6	179.5°	180.0°
C14	C15	C16	H8	179.9°	180.0°
C13	C14	C15	C16	0.3°	0.1°
C14	C13	C12	H6	180.0°	179.9°
C14	C13	C12	C11	0.5°	0.0°
C14	C13	C12	C17	179.9°	180.0°
C13	C14	C15	H7	179.7°	180.0°
C21	C22	C23	C24	0.2°	0.0°
C21	C22	C23	H9	180.0°	180.0°
C21	C22	C23	H10	179.8°	179.9°
C6	C7	N10	C11	65.7°	96.0°
C6	C7	N10	H3	120.1°	120.0°
C6	C7	N10	H4	120.1°	120.1°
C6	C7	N10	C9	97.8°	84.0°
C6	C7	H3	H4	119.7°	120.1°
C15	C16	C11	H8	180.0°	179.9°
C15	C16	C11	C12	0.1°	0.1°
C15	C16	C11	N10	179.7°	179.9°
C13	C12	C11	C16	0.3°	0.0°
C13	C12	C11	C17	179.6°	180.0°
C13	C12	C17	O18	0.2°	0.1°
C13	C12	C11	N10	179.9°	180.0°
C13	C12	C17	N8	179.2°	180.0°
C16	C11	C12	N10	179.6°	180.0°
C16	C11	C12	C17	179.9°	180.0°
C16	C11	N10	C7	16.7°	0.1°
C16	C11	N10	C9	179.1°	180.0°
C11	C16	C15	H7	179.9°	179.9°
C11	C12	C17	O18	179.8°	180.0°
C11	C12	C17	N8	1.2°	0.0°
C12	C11	N10	C7	163.8°	179.9°
C12	C11	N10	C9	0.5°	0.0°
C11	C12	C13	H6	179.5°	180.0°
C12	C11	C16	H8	179.9°	179.9°
C12	C17	O18	N8	179.0°	179.9°
C17	C12	C11	N10	0.5°	0.0°
C12	C17	N8	C9	0.8°	0.1°
C17	C12	C13	H6	0.1°	0.1°
O18	C17	N8	C9	179.8°	180.0°
C24	C23	C22	H10	180.0°	179.9°
C24	C23	C22	H9	179.8°	179.9°
C11	N10	C7	C9	163.5°	180.0°
C11	N10	C9	N8	1.0°	0.0°
C11	N10	C7	H3	54.4°	24.0°
C11	N10	C7	H4	174.2°	143.9°
C11	N10	C9	H5	179.0°	180.0°
N10	C11	C16	H8	0.3°	0.1°
C17	N8	C9	N10	0.4°	0.1°
C17	N8	C9	H5	179.6°	180.0°
C22	C23	C24	H11	180.0°	180.0°
C7	N10	C9	N8	163.8°	180.0°
N10	C7	H3	H4	119.6°	119.9°
C7	N10	C9	H5	16.2°	0.1°
N8	C9	N10	H5	180.0°	180.0°
C9	N10	C7	H3	142.1°	156.0°
C9	N10	C7	H4	22.3°	36.1°
H7	C15	C16	H8	0.1°	0.1°
H9	C22	C23	H10	0.2°	0.0°
H10	C23	C24	H11	0.0°	0.1°

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