RVN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.22Å	1.22Å
C2	N19	sing	1.34Å	1.38Å
C2	C3	sing	1.47Å	1.48Å
C4	C5	sing	1.46Å	1.47Å
C4	C3	doub	1.37Å	1.35Å
C5	C6	sing	1.40Å	1.39Å	Aromatic
C5	C13	doub	1.41Å	1.40Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.37Å	Aromatic
C8	O9	sing	1.36Å	1.37Å
C8	C12	doub	1.40Å	1.36Å	Aromatic
O9	C10	sing	1.44Å	1.43Å
C10	O11	sing	1.44Å	1.43Å
O11	C12	sing	1.36Å	1.38Å
C12	C13	sing	1.40Å	1.38Å	Aromatic
C13	C14	sing	1.47Å	1.48Å
C14	O15	doub	1.22Å	1.23Å
C14	O16	sing	1.35Å	1.35Å
C17	C18	sing	1.40Å	1.37Å	Aromatic
C17	C23	doub	1.39Å	1.37Å	Aromatic
C17	C3	sing	1.48Å	1.45Å
C18	N19	sing	1.39Å	1.39Å
C18	C20	doub	1.39Å	1.37Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C22	C23	sing	1.38Å	1.38Å	Aromatic
N19	H19	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
O16	H16	sing	0.97Å	0.95Å
C23	H23	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N19	128.8°	126.1°
O1	C2	C3	126.8°	126.0°
N19	C2	C3	104.3°	107.9°
C2	N19	C18	111.5°	111.4°
C2	N19	H19	124.2°	124.3°
C2	C3	C4	118.7°	127.5°
C2	C3	C17	107.6°	105.0°
C5	C4	C3	124.6°	120.0°
C4	C5	C6	114.7°	120.2°
C4	C5	C13	126.3°	120.2°
C5	C4	H4	117.7°	120.0°
C4	C3	C17	133.6°	127.5°
C3	C4	H4	117.7°	119.9°
C6	C5	C13	119.1°	119.6°
C5	C6	C7	121.8°	120.2°
C5	C6	H6	119.1°	119.9°
C5	C13	C12	118.2°	119.5°
C5	C13	C14	125.1°	120.3°
C6	C7	C8	118.1°	120.6°
C7	C6	H6	119.1°	119.9°
C6	C7	H7	121.0°	119.8°
C7	C8	O9	125.7°	131.3°
C7	C8	C12	121.0°	120.2°
C8	C7	H7	120.9°	119.7°
O9	C8	C12	113.3°	108.5°
C8	O9	C10	99.6°	105.5°
C8	C12	O11	111.0°	108.6°
C8	C12	C13	121.8°	119.9°
O9	C10	O11	113.9°	103.8°
O9	C10	H101	108.4°	110.6°
O9	C10	H102	108.3°	110.5°
C10	O11	C12	100.6°	105.5°
O11	C10	H101	108.4°	110.6°
O11	C10	H102	108.3°	110.6°
O11	C12	C13	127.2°	131.5°
C12	C13	C14	116.7°	120.2°
C13	C14	O15	123.8°	120.0°
C13	C14	O16	111.4°	120.0°
O15	C14	O16	124.8°	120.0°
C14	O16	H16	109.5°	117.0°
C18	C17	C23	119.7°	120.4°
C18	C17	C3	106.4°	106.4°
C17	C18	N19	110.1°	109.3°
C17	C18	C20	122.7°	119.0°
C23	C17	C3	133.9°	133.2°
C17	C23	C22	118.6°	119.7°
C17	C23	H23	120.7°	120.1°
N19	C18	C20	127.2°	131.7°
C18	N19	H19	124.3°	124.3°
C18	C20	C21	117.7°	120.1°
C18	C20	H20	121.1°	119.9°
C20	C21	C22	120.3°	120.7°
C21	C20	H20	121.2°	120.0°
C20	C21	H21	119.9°	119.6°
C21	C22	C23	121.0°	120.1°
C22	C21	H21	119.8°	119.7°
C21	C22	H22	119.5°	120.0°
C22	C23	H23	120.7°	120.2°
C23	C22	H22	119.5°	119.9°
H101	C10	H102	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N19	C3	177.5°	179.7°
O1	C2	C3	C4	4.2°	0.0°
O1	C2	C3	C17	176.4°	180.0°
O1	C2	N19	C18	176.4°	180.0°
O1	C2	N19	H19	3.6°	0.2°
N19	C2	C3	C4	178.2°	179.7°
C2	N19	C18	C17	0.7°	0.2°
N19	C2	C3	C17	1.2°	0.3°
C2	N19	C18	H19	180.0°	179.9°
C2	N19	C18	C20	179.4°	179.9°
C2	C3	C4	C5	177.9°	170.3°
C2	C3	C4	C17	179.2°	180.0°
C2	C3	C17	C18	0.8°	0.1°
C2	C3	C17	C23	179.3°	179.9°
C3	C2	N19	C18	1.2°	0.3°
C3	C2	N19	H19	178.8°	179.9°
C2	C3	C4	H4	2.2°	9.6°
C5	C4	C3	H4	180.0°	180.0°
C4	C5	C6	C13	178.7°	179.8°
C4	C5	C6	C7	179.7°	180.0°
C4	C5	C13	C12	179.5°	179.7°
C4	C5	C13	C14	1.5°	0.1°
C5	C4	C3	C17	3.0°	9.7°
C4	C5	C6	H6	0.3°	0.0°
C3	C4	C5	C6	59.0°	47.1°
C3	C4	C5	C13	122.3°	132.7°
C4	C3	C17	C18	178.4°	179.8°
C4	C3	C17	C23	1.5°	0.1°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.3°	0.0°
C6	C5	C13	C12	1.0°	0.5°
C6	C5	C13	C14	179.9°	179.7°
C6	C5	C4	H4	121.0°	132.9°
C5	C6	C7	H7	179.6°	180.0°
C13	C5	C6	C7	1.0°	0.2°
C5	C13	C12	C8	0.3°	0.6°
C5	C13	C12	O11	179.5°	179.8°
C5	C13	C12	C14	179.0°	179.8°
C5	C13	C14	O15	139.4°	90.0°
C5	C13	C14	O16	41.2°	89.9°
C13	C5	C4	H4	57.7°	47.4°
C13	C5	C6	H6	179.0°	179.8°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	O9	179.7°	180.0°
C6	C7	C8	C12	0.3°	0.0°
C7	C8	O9	C12	180.0°	180.0°
C7	C8	O9	C10	172.7°	162.6°
C7	C8	C12	O11	179.8°	180.0°
C7	C8	C12	C13	0.3°	0.3°
C8	C7	C6	H6	179.7°	179.9°
C8	O9	C10	O11	12.6°	27.2°
O9	C8	C12	O11	0.2°	0.0°
O9	C8	C12	C13	179.6°	179.7°
O9	C8	C7	H7	0.3°	0.0°
C8	O9	C10	H101	133.3°	91.4°
C8	O9	C10	H102	108.0°	145.8°
C12	C8	O9	C10	7.3°	17.3°
C8	C12	O11	C10	7.6°	17.4°
C8	C12	O11	C13	179.9°	179.6°
C8	C12	C13	C14	179.3°	179.7°
C12	C8	C7	H7	179.7°	179.9°
O9	C10	O11	H101	120.7°	118.6°
O9	C10	O11	H102	120.6°	118.5°
O9	C10	O11	C12	12.9°	27.3°
O9	C10	H101	H102	118.0°	122.8°
C10	O11	C12	C13	172.2°	163.0°
O11	C10	H101	H102	117.9°	122.8°
O11	C12	C13	C14	0.5°	0.1°
C12	O11	C10	H101	133.6°	91.3°
C12	O11	C10	H102	107.7°	145.8°
C12	C13	C14	O15	39.5°	89.8°
C12	C13	C14	O16	139.9°	90.3°
C13	C14	O15	O16	179.3°	179.9°
C13	C14	O16	H16	179.4°	180.0°
O15	C14	O16	H16	0.0°	0.0°
C18	C17	C23	C3	179.9°	179.9°
C17	C18	N19	C20	179.9°	179.9°
C17	C18	C20	C21	0.0°	0.0°
C18	C17	C23	C22	0.1°	0.0°
C17	C18	N19	H19	179.3°	180.0°
C18	C17	C23	H23	179.9°	180.0°
C17	C18	C20	H20	180.0°	180.0°
C23	C17	C18	N19	179.9°	179.9°
C23	C17	C18	C20	0.1°	0.0°
C17	C23	C22	C21	0.1°	0.0°
C17	C23	C22	H23	180.0°	180.0°
C17	C23	C22	H22	179.9°	180.0°
C3	C17	C18	N19	0.1°	0.0°
C3	C17	C18	C20	179.8°	179.9°
C3	C17	C23	C22	179.9°	180.0°
C17	C3	C4	H4	177.0°	170.3°
C3	C17	C23	H23	0.1°	0.0°
N19	C18	C20	C21	179.9°	180.0°
N19	C18	C20	H20	0.1°	0.1°
C18	C20	C21	H20	180.0°	179.9°
C18	C20	C21	C22	0.1°	0.1°
C20	C18	N19	H19	0.7°	0.0°
C18	C20	C21	H21	179.9°	180.0°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.2°	0.0°
C20	C21	C22	H22	179.8°	180.0°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	H23	179.9°	180.0°
C22	C21	C20	H20	179.9°	180.0°
C23	C22	C21	H21	179.8°	180.0°
H6	C6	C7	H7	0.4°	0.0°
H23	C23	C22	H22	0.1°	0.1°
H20	C20	C21	H21	0.1°	0.0°
H21	C21	C22	H22	0.2°	0.0°

Release date:	2014-01-08
Definition date:	2013-12-20
Last modified:	2014-04-15
Release status:	REL
Processing site:	EBI
Derived from:	4CJF