2RM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F29	C27	sing	1.35Å	1.35Å
C27	C28	doub	1.38Å	1.39Å	Aromatic
C27	C26	sing	1.38Å	1.39Å	Aromatic
C28	C23	sing	1.38Å	1.39Å	Aromatic
C26	C25	doub	1.38Å	1.38Å	Aromatic
O22	S20	doub	1.42Å	1.42Å
C23	C24	doub	1.38Å	1.38Å	Aromatic
C23	S20	sing	1.76Å	1.77Å
C25	C24	sing	1.39Å	1.38Å	Aromatic
C25	F30	sing	1.35Å	1.35Å
S20	O21	doub	1.42Å	1.42Å
S20	C17	sing	1.76Å	1.76Å
C18	C17	doub	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C19	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.51Å	1.50Å
C13	N12	sing	1.46Å	1.46Å
O11	C10	doub	1.22Å	1.22Å
N12	C10	sing	1.35Å	1.35Å
C10	C6	sing	1.47Å	1.47Å
C6	C5	sing	1.47Å	1.46Å	Aromatic
C6	C7	doub	1.36Å	1.36Å	Aromatic
C5	C4	doub	1.36Å	1.36Å	Aromatic
C7	N8	sing	1.37Å	1.37Å	Aromatic
C4	C3	sing	1.41Å	1.41Å	Aromatic
N8	C3	sing	1.38Å	1.38Å	Aromatic
N8	C9	sing	1.37Å	1.37Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C9	C1	doub	1.35Å	1.35Å	Aromatic
C2	C1	sing	1.40Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
N12	H7	sing	0.97Å	1.00Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C24	H14	sing	1.08Å	1.08Å
C26	H15	sing	1.08Å	1.08Å
C28	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F29	C27	C28	120.4°	120.0°
F29	C27	C26	118.9°	120.0°
C28	C27	C26	120.7°	120.0°
C27	C28	C23	119.2°	120.0°
C27	C28	H16	120.4°	120.0°
C27	C26	C25	120.0°	119.9°
C27	C26	H15	120.0°	120.0°
C28	C23	C24	119.7°	120.0°
C28	C23	S20	122.7°	120.0°
C23	C28	H16	120.4°	120.0°
C26	C25	C24	119.4°	120.0°
C26	C25	F30	120.4°	120.0°
C25	C26	H15	120.0°	120.1°
O22	S20	C23	110.3°	106.4°
O22	S20	O21	123.3°	123.2°
O22	S20	C17	109.6°	106.4°
C24	C23	S20	117.5°	120.0°
C23	C24	C25	121.0°	120.0°
C23	C24	H14	119.5°	120.0°
C23	S20	O21	106.7°	106.4°
C23	S20	C17	95.4°	107.2°
C24	C25	F30	120.2°	120.0°
C25	C24	H14	119.5°	120.0°
O21	S20	C17	107.9°	106.4°
S20	C17	C18	121.0°	120.0°
S20	C17	C16	118.9°	120.0°
C17	C18	C19	119.1°	120.0°
C18	C17	C16	120.0°	120.0°
C17	C18	H12	120.4°	120.0°
C18	C19	C14	120.6°	120.0°
C19	C18	H12	120.4°	120.0°
C18	C19	H13	119.7°	120.0°
C17	C16	C15	120.6°	119.9°
C17	C16	H11	119.7°	120.1°
C19	C14	C15	119.8°	120.0°
C19	C14	C13	120.1°	120.0°
C14	C19	H13	119.7°	120.0°
C16	C15	C14	119.8°	120.1°
C16	C15	H10	120.1°	119.9°
C15	C16	H11	119.7°	120.0°
C15	C14	C13	120.1°	120.1°
C14	C15	H10	120.1°	120.0°
C14	C13	N12	114.3°	109.5°
C14	C13	H8	108.2°	109.4°
C14	C13	H9	108.2°	109.5°
C13	N12	C10	120.0°	120.0°
C13	N12	H7	120.0°	120.1°
N12	C13	H8	108.2°	109.5°
N12	C13	H9	108.3°	109.5°
O11	C10	N12	120.5°	120.0°
O11	C10	C6	121.2°	120.0°
N12	C10	C6	118.3°	120.0°
C10	N12	H7	120.0°	119.9°
C10	C6	C5	120.3°	120.2°
C10	C6	C7	119.8°	120.2°
C5	C6	C7	119.9°	119.6°
C6	C5	C4	118.4°	118.9°
C6	C5	H4	120.8°	120.6°
C6	C7	N8	120.7°	120.7°
C6	C7	H5	119.7°	119.7°
C5	C4	C3	120.3°	119.5°
C5	C4	H3	119.9°	120.2°
C4	C5	H4	120.8°	120.5°
C7	N8	C3	120.4°	120.6°
C7	N8	C9	131.4°	131.1°
N8	C7	H5	119.6°	119.7°
C4	C3	N8	120.4°	120.7°
C4	C3	C2	131.6°	131.7°
C3	C4	H3	119.8°	120.3°
C3	N8	C9	108.1°	108.3°
N8	C3	C2	108.0°	107.6°
N8	C9	C1	108.7°	108.9°
N8	C9	H6	125.6°	125.5°
C3	C2	C1	106.7°	107.1°
C3	C2	H2	126.6°	126.5°
C9	C1	C2	108.5°	108.0°
C9	C1	H1	125.8°	126.0°
C1	C9	H6	125.6°	125.5°
C2	C1	H1	125.8°	126.0°
C1	C2	H2	126.7°	126.4°
H8	C13	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F29	C27	C28	C26	179.8°	179.5°
F29	C27	C28	C23	179.5°	180.0°
F29	C27	C26	C25	179.8°	179.8°
F29	C27	C26	H15	0.2°	0.3°
F29	C27	C28	H16	0.5°	0.6°
C27	C28	C23	H16	180.0°	179.4°
C28	C27	C26	C25	0.0°	0.3°
C27	C28	C23	C24	1.5°	0.6°
C27	C28	C23	S20	178.9°	179.7°
C28	C27	C26	H15	180.0°	179.7°
C26	C27	C28	C23	0.8°	0.6°
C27	C26	C25	H15	180.0°	180.0°
C27	C26	C25	C24	0.0°	0.0°
C27	C26	C25	F30	179.8°	180.0°
C26	C27	C28	H16	179.2°	180.0°
C28	C23	S20	O22	6.1°	23.2°
C28	C23	C24	S20	177.6°	179.7°
C28	C23	C24	C25	1.5°	0.3°
C28	C23	S20	O21	142.3°	156.2°
C28	C23	S20	C17	107.2°	90.3°
C28	C23	C24	H14	178.5°	179.8°
C26	C25	C24	C23	0.7°	0.0°
C26	C25	C24	F30	179.8°	179.9°
C26	C25	C24	H14	179.3°	180.0°
O22	S20	C23	C24	176.4°	156.5°
O22	S20	C23	O21	136.3°	132.9°
O22	S20	C23	C17	113.2°	113.5°
O22	S20	O21	C17	129.4°	123.0°
O22	S20	C17	C18	33.2°	156.4°
O22	S20	C17	C16	149.9°	23.5°
C23	C24	C25	H14	180.0°	179.9°
C23	C24	C25	F30	179.5°	180.0°
C24	C23	S20	O21	40.2°	23.5°
C24	C23	S20	C17	70.3°	90.0°
C24	C23	C28	H16	178.5°	180.0°
S20	C23	C24	C25	179.0°	180.0°
C23	S20	O21	C17	101.5°	114.1°
C23	S20	C17	C18	80.6°	90.0°
C23	S20	C17	C16	96.3°	90.0°
S20	C23	C24	H14	1.0°	0.1°
S20	C23	C28	H16	1.1°	0.3°
C24	C25	C26	H15	180.0°	180.0°
F30	C25	C24	H14	0.5°	0.1°
F30	C25	C26	H15	0.2°	0.0°
O21	S20	C17	C18	169.9°	23.5°
O21	S20	C17	C16	13.2°	156.5°
S20	C17	C18	C16	176.9°	180.0°
S20	C17	C18	C19	178.5°	179.8°
S20	C17	C16	C15	178.6°	179.9°
S20	C17	C16	H11	1.3°	0.0°
S20	C17	C18	H12	1.5°	0.1°
C17	C18	C19	H12	180.0°	179.7°
C17	C18	C19	C14	0.4°	0.6°
C18	C17	C16	C15	1.7°	0.0°
C18	C17	C16	H11	178.3°	180.0°
C17	C18	C19	H13	179.6°	180.0°
C19	C18	C17	C16	1.6°	0.3°
C18	C19	C14	H13	180.0°	179.4°
C18	C19	C14	C15	0.8°	0.6°
C18	C19	C14	C13	178.8°	179.6°
C17	C16	C15	H11	180.0°	180.0°
C17	C16	C15	C14	0.5°	0.0°
C17	C16	C15	H10	179.5°	179.9°
C16	C17	C18	H12	178.4°	180.0°
C19	C14	C15	C16	0.7°	0.3°
C19	C14	C15	C13	178.0°	179.8°
C19	C14	C13	N12	128.9°	90.3°
C19	C14	C13	H8	110.4°	149.8°
C19	C14	C13	H9	8.1°	29.8°
C19	C14	C15	H10	179.3°	179.8°
C14	C19	C18	H12	179.6°	179.7°
C16	C15	C14	H10	180.0°	180.0°
C16	C15	C14	C13	178.7°	180.0°
C15	C14	C13	N12	53.1°	89.9°
C15	C14	C13	H8	67.6°	30.0°
C15	C14	C13	H9	173.8°	150.0°
C14	C15	C16	H11	179.5°	180.0°
C15	C14	C19	H13	179.2°	180.0°
C14	C13	N12	H8	120.7°	119.9°
C14	C13	N12	H9	120.7°	120.0°
C14	C13	N12	C10	69.2°	180.0°
C14	C13	N12	H7	110.8°	0.1°
C14	C13	H8	H9	117.8°	120.0°
C13	C14	C15	H10	1.3°	0.0°
C13	C14	C19	H13	1.2°	0.2°
C13	N12	C10	O11	1.6°	0.1°
C13	N12	C10	H7	180.0°	179.9°
C13	N12	C10	C6	179.5°	180.0°
N12	C13	H8	H9	117.8°	120.1°
O11	C10	N12	C6	178.9°	180.0°
O11	C10	C6	C5	6.3°	180.0°
O11	C10	C6	C7	173.6°	0.0°
O11	C10	N12	H7	178.4°	180.0°
N12	C10	C6	C5	174.7°	0.0°
N12	C10	C6	C7	5.3°	180.0°
C10	N12	C13	H8	170.1°	60.1°
C10	N12	C13	H9	51.5°	60.0°
C10	C6	C5	C7	179.9°	180.0°
C10	C6	C5	C4	179.9°	180.0°
C10	C6	C7	N8	179.7°	179.9°
C10	C6	C5	H4	0.1°	0.0°
C10	C6	C7	H5	0.3°	0.0°
C6	C10	N12	H7	0.5°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C5	C6	C7	N8	0.2°	0.1°
C6	C5	C4	C3	0.0°	0.0°
C6	C5	C4	H3	180.0°	180.0°
C5	C6	C7	H5	179.8°	180.0°
C7	C6	C5	C4	0.1°	0.1°
C6	C7	N8	H5	180.0°	179.9°
C6	C7	N8	C3	0.3°	0.1°
C6	C7	N8	C9	179.7°	179.6°
C7	C6	C5	H4	179.9°	180.0°
C5	C4	C3	H3	180.0°	180.0°
C5	C4	C3	N8	0.1°	0.0°
C5	C4	C3	C2	179.8°	180.0°
C7	N8	C3	C4	0.2°	0.0°
C7	N8	C3	C9	180.0°	179.6°
C7	N8	C3	C2	180.0°	179.9°
C7	N8	C9	C1	179.9°	180.0°
C7	N8	C9	H6	0.1°	0.1°
C4	C3	N8	C2	179.8°	180.0°
C4	C3	N8	C9	179.8°	179.7°
C4	C3	C2	C1	179.6°	180.0°
C4	C3	C2	H2	0.4°	0.1°
C3	C4	C5	H4	180.0°	180.0°
C3	N8	C9	C1	0.1°	0.5°
N8	C3	C2	C1	0.2°	0.0°
N8	C3	C2	H2	179.8°	180.0°
N8	C3	C4	H3	179.9°	180.0°
C3	N8	C7	H5	179.7°	180.0°
C3	N8	C9	H6	179.8°	179.7°
C9	N8	C3	C2	0.0°	0.3°
N8	C9	C1	H6	180.0°	179.8°
N8	C9	C1	C2	0.3°	0.5°
N8	C9	C1	H1	179.8°	179.8°
C9	N8	C7	H5	0.3°	0.4°
C3	C2	C1	C9	0.3°	0.3°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	179.7°	180.0°
C2	C3	C4	H3	0.2°	0.1°
C9	C1	C2	H1	180.0°	179.7°
C9	C1	C2	H2	179.7°	179.7°
C2	C1	C9	H6	179.7°	179.7°
H1	C1	C2	H2	0.3°	0.0°
H1	C1	C9	H6	0.3°	0.0°
H3	C4	C5	H4	0.0°	0.0°
H7	N12	C13	H8	9.9°	120.0°
H7	N12	C13	H9	128.5°	120.0°
H10	C15	C16	H11	0.6°	0.0°
H12	C18	C19	H13	0.4°	0.3°

Release date:	2014-06-18
Definition date:	2014-01-13
Last modified:	2014-06-13
Release status:	REL
Processing site:	RCSB
Derived from:	4O0Z