2P1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N24	N25	sing	1.40Å	1.39Å	Aromatic
N24	C23	sing	1.34Å	1.30Å	Aromatic
N25	C27	doub	1.32Å	1.37Å	Aromatic
C23	C22	doub	1.38Å	1.45Å	Aromatic
C27	C22	sing	1.47Å	1.41Å	Aromatic
C27	N28	sing	1.34Å	1.33Å	Aromatic
C22	C21	sing	1.41Å	1.40Å	Aromatic
N28	C29	doub	1.31Å	1.31Å	Aromatic
C21	C20	doub	1.39Å	1.40Å	Aromatic
C29	C20	sing	1.41Å	1.39Å	Aromatic
C20	C18	sing	1.47Å	1.47Å
C18	N17	sing	1.35Å	1.35Å
C18	O19	doub	1.22Å	1.22Å
N17	C16	sing	1.47Å	1.47Å
C16	C13	sing	1.51Å	1.51Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.38Å	Aromatic
O9	S7	doub	1.42Å	1.44Å
C10	C15	sing	1.38Å	1.39Å	Aromatic
C10	S7	sing	1.76Å	1.77Å
S7	O8	doub	1.42Å	1.41Å
S7	C5	sing	1.76Å	1.79Å
F32	C30	sing	1.40Å	1.40Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.41Å	Aromatic
C30	F31	sing	1.40Å	1.39Å
C30	C3	sing	1.51Å	1.51Å
C30	F33	sing	1.40Å	1.41Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
N17	H11	sing	0.97Å	1.00Å
C21	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.08Å	1.08Å
N24	H14	sing	0.97Å	1.00Å
C29	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N25	N24	C23	110.4°	110.0°
N24	N25	C27	108.9°	109.2°
N25	N24	H14	124.8°	125.0°
N24	C23	C22	107.6°	107.8°
N24	C23	H13	126.2°	126.1°
C23	N24	H14	124.8°	125.0°
N25	C27	C22	106.7°	106.5°
N25	C27	N28	132.2°	134.1°
C23	C22	C27	106.4°	106.5°
C23	C22	C21	134.3°	134.9°
C22	C23	H13	126.2°	126.1°
C22	C27	N28	121.1°	119.4°
C27	C22	C21	119.2°	118.6°
C27	N28	C29	121.6°	121.5°
C22	C21	C20	116.3°	117.9°
C22	C21	H12	121.9°	121.0°
N28	C29	C20	120.5°	122.4°
N28	C29	H15	119.8°	118.8°
C21	C20	C29	121.3°	120.2°
C21	C20	C18	121.2°	119.9°
C20	C21	H12	121.8°	121.1°
C29	C20	C18	117.5°	119.9°
C20	C29	H15	119.7°	118.8°
C20	C18	N17	119.7°	120.0°
C20	C18	O19	118.2°	120.1°
N17	C18	O19	122.1°	120.0°
C18	N17	C16	118.2°	120.0°
C18	N17	H11	120.9°	120.0°
N17	C16	C13	114.5°	109.4°
N17	C16	H9	108.2°	109.4°
N17	C16	H10	108.2°	109.5°
C16	N17	H11	120.9°	120.0°
C16	C13	C12	121.6°	120.0°
C16	C13	C14	120.6°	120.0°
C13	C16	H9	108.2°	109.5°
C13	C16	H10	108.2°	109.5°
C13	C12	C11	120.3°	120.0°
C12	C13	C14	117.7°	120.0°
C13	C12	H6	119.8°	120.0°
C12	C11	C10	121.7°	120.0°
C12	C11	H5	119.2°	120.0°
C11	C12	H6	119.8°	120.0°
C13	C14	C15	122.2°	120.0°
C13	C14	H7	118.9°	120.0°
C11	C10	C15	118.3°	120.0°
C11	C10	S7	122.1°	120.0°
C10	C11	H5	119.1°	120.0°
C14	C15	C10	119.7°	120.0°
C15	C14	H7	118.9°	120.0°
C14	C15	H8	120.2°	120.0°
O9	S7	C10	108.3°	106.4°
O9	S7	O8	124.7°	123.1°
O9	S7	C5	105.2°	106.4°
C15	C10	S7	119.5°	120.0°
C10	C15	H8	120.1°	120.0°
C10	S7	O8	109.3°	106.4°
C10	S7	C5	99.7°	107.2°
O8	S7	C5	106.8°	106.4°
S7	C5	C4	118.7°	120.0°
S7	C5	C6	122.6°	120.0°
F32	C30	F31	108.1°	109.5°
F32	C30	C3	112.1°	109.5°
F32	C30	F33	111.9°	109.4°
C5	C4	C3	121.3°	120.0°
C4	C5	C6	118.7°	120.0°
C5	C4	H3	119.3°	120.0°
C4	C3	C30	121.8°	120.0°
C4	C3	C2	119.2°	120.0°
C3	C4	H3	119.3°	120.0°
C5	C6	C1	120.3°	120.0°
C5	C6	H4	119.8°	120.0°
F31	C30	C3	109.3°	109.5°
F31	C30	F33	106.4°	109.5°
C3	C30	F33	108.8°	109.5°
C30	C3	C2	119.0°	120.0°
C3	C2	C1	120.7°	120.1°
C3	C2	H2	119.7°	120.0°
C6	C1	C2	119.8°	120.0°
C6	C1	H1	120.1°	120.0°
C1	C6	H4	119.9°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C2	H2	119.7°	120.0°
H9	C16	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N25	N24	C23	H14	180.0°	179.9°
N25	N24	C23	C22	1.7°	0.0°
N24	N25	C27	C22	1.0°	0.0°
N24	N25	C27	N28	178.8°	180.0°
N25	N24	C23	H13	178.3°	180.0°
C23	N24	N25	C27	1.7°	0.0°
N24	C23	C22	H13	180.0°	180.0°
N24	C23	C22	C27	1.0°	0.0°
N24	C23	C22	C21	178.9°	179.9°
N25	C27	C22	C23	0.0°	0.0°
N25	C27	C22	N28	179.8°	180.0°
N25	C27	C22	C21	180.0°	180.0°
N25	C27	N28	C29	179.1°	179.7°
C27	N25	N24	H14	178.3°	179.9°
C23	C22	C27	C21	180.0°	179.9°
C23	C22	C27	N28	179.8°	180.0°
C23	C22	C21	C20	179.2°	180.0°
C23	C22	C21	H12	0.8°	0.1°
C22	C23	N24	H14	178.3°	179.9°
C22	C27	N28	C29	0.7°	0.3°
C27	C22	C21	C20	0.8°	0.1°
C27	C22	C21	H12	179.2°	179.9°
C27	C22	C23	H13	179.0°	180.0°
N28	C27	C22	C21	0.1°	0.1°
C27	N28	C29	C20	0.7°	0.6°
C27	N28	C29	H15	179.3°	180.0°
C22	C21	C20	H12	180.0°	179.9°
C22	C21	C20	C29	0.7°	0.3°
C22	C21	C20	C18	179.9°	180.0°
C21	C22	C23	H13	1.1°	0.1°
N28	C29	C20	C21	0.0°	0.6°
N28	C29	C20	H15	180.0°	179.4°
N28	C29	C20	C18	179.2°	179.7°
C21	C20	C29	C18	179.2°	179.7°
C21	C20	C18	N17	0.9°	180.0°
C21	C20	C18	O19	176.8°	0.0°
C21	C20	C29	H15	180.0°	180.0°
C29	C20	C18	N17	178.3°	0.3°
C29	C20	C18	O19	4.0°	179.7°
C29	C20	C21	H12	179.3°	179.8°
C20	C18	N17	O19	177.6°	180.0°
C20	C18	N17	C16	179.3°	180.0°
C20	C18	N17	H11	0.6°	0.1°
C18	C20	C21	H12	0.1°	0.1°
C18	C20	C29	H15	0.8°	0.3°
C18	N17	C16	H11	180.0°	179.9°
C18	N17	C16	C13	72.8°	180.0°
C18	N17	C16	H9	48.0°	60.0°
C18	N17	C16	H10	166.5°	60.0°
O19	C18	N17	C16	1.7°	0.0°
O19	C18	N17	H11	178.3°	179.9°
N17	C16	C13	H9	120.7°	120.0°
N17	C16	C13	H10	120.8°	120.0°
N17	C16	C13	C12	48.6°	90.0°
N17	C16	C13	C14	133.5°	90.0°
N17	C16	H9	H10	117.7°	120.0°
C16	C13	C12	C14	177.9°	179.9°
C16	C13	C12	C11	178.7°	179.9°
C16	C13	C14	C15	178.7°	179.8°
C16	C13	C12	H6	1.3°	0.0°
C16	C13	C14	H7	1.3°	0.0°
C13	C16	H9	H10	117.7°	120.0°
C13	C16	N17	H11	107.2°	0.1°
C13	C12	C11	H6	180.0°	179.9°
C13	C12	C11	C10	0.3°	0.0°
C12	C13	C14	C15	0.8°	0.1°
C13	C12	C11	H5	179.8°	180.0°
C12	C13	C14	H7	179.2°	180.0°
C12	C13	C16	H9	169.3°	150.0°
C12	C13	C16	H10	72.1°	30.0°
C11	C12	C13	C14	0.8°	0.0°
C12	C11	C10	H5	180.0°	179.9°
C12	C11	C10	C15	0.4°	0.1°
C12	C11	C10	S7	177.8°	179.7°
C13	C14	C15	H7	180.0°	179.8°
C13	C14	C15	C10	0.2°	0.2°
C14	C13	C12	H6	179.2°	180.0°
C13	C14	C15	H8	179.8°	179.8°
C14	C13	C16	H9	12.8°	29.9°
C14	C13	C16	H10	105.7°	150.0°
C11	C10	C15	C14	0.4°	0.2°
C11	C10	S7	O9	8.3°	23.8°
C11	C10	C15	S7	177.6°	179.8°
C11	C10	S7	O8	147.0°	156.7°
C11	C10	S7	C5	101.3°	89.8°
C10	C11	C12	H6	179.8°	180.0°
C11	C10	C15	H8	179.6°	179.8°
C14	C15	C10	H8	180.0°	179.6°
C14	C15	C10	S7	177.9°	179.7°
O9	S7	C10	C15	174.2°	156.4°
O9	S7	C10	O8	138.7°	132.9°
O9	S7	C10	C5	109.6°	113.5°
O9	S7	O8	C5	122.8°	122.9°
O9	S7	C5	C4	48.4°	23.6°
O9	S7	C5	C6	133.3°	156.7°
C15	C10	S7	O8	35.5°	23.5°
C15	C10	S7	C5	76.2°	90.1°
C15	C10	C11	H5	179.6°	180.0°
C10	C15	C14	H7	179.8°	180.0°
C10	S7	O8	C5	106.9°	114.1°
C10	S7	C5	C4	63.6°	90.0°
C10	S7	C5	C6	114.6°	89.8°
S7	C10	C11	H5	2.2°	0.2°
S7	C10	C15	H8	2.1°	0.1°
O8	S7	C5	C4	177.3°	156.5°
O8	S7	C5	C6	1.0°	23.8°
S7	C5	C4	C6	178.3°	179.8°
S7	C5	C4	C3	179.4°	180.0°
S7	C5	C6	C1	179.8°	179.7°
S7	C5	C4	H3	0.6°	0.2°
S7	C5	C6	H4	0.2°	0.2°
F32	C30	C3	C4	19.5°	59.9°
F32	C30	F31	C3	122.3°	120.0°
F32	C30	F31	F33	120.4°	120.0°
F32	C30	C3	F33	124.3°	120.0°
F32	C30	C3	C2	161.7°	120.0°
C5	C4	C3	H3	180.0°	179.7°
C5	C4	C3	C30	179.5°	180.0°
C5	C4	C3	C2	0.8°	0.0°
C4	C5	C6	C1	1.5°	0.5°
C4	C5	C6	H4	178.4°	180.0°
C3	C4	C5	C6	1.1°	0.3°
C4	C3	C30	F31	100.4°	180.0°
C4	C3	C30	C2	178.8°	180.0°
C4	C3	C30	F33	143.7°	60.0°
C4	C3	C2	C1	0.9°	0.0°
C4	C3	C2	H2	179.1°	179.9°
C5	C6	C1	H4	180.0°	179.5°
C5	C6	C1	C2	1.7°	0.5°
C5	C6	C1	H1	178.3°	179.8°
C6	C5	C4	H3	178.9°	180.0°
F31	C30	C3	F33	115.9°	120.0°
F31	C30	C3	C2	78.4°	0.0°
C30	C3	C2	C1	179.7°	180.0°
C30	C3	C2	H2	0.3°	0.1°
C30	C3	C4	H3	0.5°	0.3°
F33	C30	C3	C2	37.5°	120.0°
C3	C2	C1	C6	1.3°	0.3°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	178.6°	180.0°
C2	C3	C4	H3	179.3°	179.8°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	H2	178.6°	179.7°
C2	C1	C6	H4	178.3°	180.0°
H1	C1	C2	H2	1.4°	0.0°
H1	C1	C6	H4	1.7°	0.3°
H5	C11	C12	H6	0.2°	0.1°
H7	C14	C15	H8	0.2°	0.4°
H9	C16	N17	H11	132.1°	120.1°
H10	C16	N17	H11	13.5°	119.9°
H13	C23	N24	H14	1.7°	0.1°

Release date:	2014-10-22
Definition date:	2013-12-20
Last modified:	2014-10-17
Release status:	REL
Processing site:	RCSB
Derived from:	4O13