0VE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C22	doub	1.38Å	1.39Å	Aromatic
C24	C27	sing	1.38Å	1.39Å	Aromatic
C22	C8	sing	1.40Å	1.42Å	Aromatic
C27	C18	doub	1.39Å	1.40Å	Aromatic
C29	C26	sing	1.53Å	1.54Å
C8	C4	sing	1.48Å	1.49Å
C8	C13	doub	1.40Å	1.41Å	Aromatic
C18	C13	sing	1.38Å	1.40Å	Aromatic
C18	O21	sing	1.36Å	1.36Å
C6	C4	doub	1.36Å	1.37Å	Aromatic
C6	N5	sing	1.33Å	1.34Å	Aromatic
C26	N14	sing	1.47Å	1.48Å
C4	N1	sing	1.38Å	1.39Å	Aromatic
N5	C3	doub	1.32Å	1.33Å	Aromatic
C16	C19	doub	1.38Å	1.39Å	Aromatic
C16	C12	sing	1.39Å	1.39Å	Aromatic
C19	C15	sing	1.39Å	1.40Å	Aromatic
N14	C12	sing	1.40Å	1.41Å
N14	C25	sing	1.46Å	1.47Å
N1	C10	sing	1.36Å	1.35Å	Aromatic
N1	C2	sing	1.37Å	1.38Å	Aromatic
C12	C17	doub	1.39Å	1.41Å	Aromatic
C3	C2	sing	1.42Å	1.42Å	Aromatic
C3	N9	sing	1.38Å	1.40Å
C10	C11	doub	1.35Å	1.35Å	Aromatic
C2	N7	doub	1.32Å	1.31Å	Aromatic
C15	N9	sing	1.40Å	1.41Å
C15	C20	doub	1.39Å	1.40Å	Aromatic
C28	C25	sing	1.53Å	1.53Å
C28	O23	sing	1.43Å	1.43Å
C17	C20	sing	1.38Å	1.39Å	Aromatic
C11	N7	sing	1.33Å	1.33Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
N9	H2	sing	0.97Å	1.00Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
O21	H10	sing	0.97Å	0.95Å
C22	H11	sing	1.08Å	1.08Å
O23	H12	sing	0.97Å	0.95Å
C24	H13	sing	1.08Å	1.08Å
C25	H14	sing	1.09Å	1.10Å
C25	H15	sing	1.09Å	1.10Å
C26	H16	sing	1.09Å	1.10Å
C26	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.08Å	1.08Å
C28	H19	sing	1.09Å	1.10Å
C28	H20	sing	1.09Å	1.10Å
C29	H21	sing	1.09Å	1.10Å
C29	H22	sing	1.09Å	1.10Å
C29	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C24	C27	119.8°	120.2°
C24	C22	C8	120.9°	120.0°
C24	C22	H11	119.6°	120.0°
C22	C24	H13	120.1°	119.9°
C24	C27	C18	119.9°	120.2°
C27	C24	H13	120.1°	119.9°
C24	C27	H18	120.0°	119.9°
C22	C8	C4	121.3°	120.1°
C22	C8	C13	118.8°	119.7°
C8	C22	H11	119.5°	120.0°
C27	C18	C13	120.8°	120.1°
C27	C18	O21	119.7°	120.0°
C18	C27	H18	120.1°	119.9°
C29	C26	N14	112.6°	109.5°
C29	C26	H16	108.7°	109.4°
C29	C26	H17	108.7°	109.5°
C26	C29	H21	109.5°	109.4°
C26	C29	H22	109.5°	109.4°
C26	C29	H23	109.4°	109.5°
C4	C8	C13	119.9°	120.1°
C8	C4	C6	119.8°	120.2°
C8	C4	N1	122.4°	120.1°
C8	C13	C18	119.8°	119.8°
C8	C13	H5	120.1°	120.1°
C13	C18	O21	119.5°	120.0°
C18	C13	H5	120.1°	120.1°
C18	O21	H10	109.5°	114.0°
C4	C6	N5	121.9°	121.2°
C6	C4	N1	117.8°	119.7°
C4	C6	H1	119.0°	119.4°
C6	N5	C3	122.8°	121.5°
N5	C6	H1	119.0°	119.4°
C26	N14	C12	120.5°	120.0°
C26	N14	C25	119.0°	120.0°
N14	C26	H16	108.7°	109.5°
N14	C26	H17	108.7°	109.5°
C4	N1	C10	133.3°	133.7°
C4	N1	C2	119.9°	119.1°
N5	C3	C2	117.8°	119.8°
N5	C3	N9	123.3°	120.1°
C19	C16	C12	120.3°	120.0°
C16	C19	C15	121.3°	120.0°
C19	C16	H6	119.8°	120.0°
C16	C19	H8	119.4°	120.0°
C16	C12	N14	119.0°	120.0°
C16	C12	C17	119.1°	120.0°
C12	C16	H6	119.9°	120.0°
C19	C15	N9	121.5°	120.0°
C19	C15	C20	118.5°	120.0°
C15	C19	H8	119.4°	120.0°
C12	N14	C25	120.5°	120.0°
N14	C12	C17	121.8°	120.0°
N14	C25	C28	110.5°	109.5°
N14	C25	H14	109.2°	109.5°
N14	C25	H15	109.2°	109.5°
C10	N1	C2	106.8°	107.1°
N1	C10	C11	106.9°	107.1°
N1	C10	H3	126.5°	126.4°
N1	C2	C3	119.8°	118.8°
N1	C2	N7	108.3°	108.0°
C12	C17	C20	120.4°	120.0°
C12	C17	H7	119.8°	120.1°
C2	C3	N9	119.0°	120.1°
C3	C2	N7	131.9°	133.2°
C3	N9	C15	125.6°	120.0°
C3	N9	H2	117.2°	120.0°
C10	C11	N7	109.4°	108.6°
C11	C10	H3	126.5°	126.5°
C10	C11	H4	125.3°	125.7°
C2	N7	C11	108.6°	109.2°
N9	C15	C20	120.0°	120.0°
C15	N9	H2	117.2°	120.0°
C15	C20	C17	120.4°	120.0°
C15	C20	H9	119.8°	120.0°
C25	C28	O23	107.9°	109.5°
C28	C25	H14	109.2°	109.4°
C28	C25	H15	109.2°	109.5°
C25	C28	H19	109.9°	109.5°
C25	C28	H20	109.9°	109.5°
C28	O23	H12	109.5°	114.0°
O23	C28	H19	109.8°	109.4°
O23	C28	H20	109.8°	109.4°
C20	C17	H7	119.8°	119.9°
C17	C20	H9	119.8°	120.0°
N7	C11	H4	125.3°	125.8°
H14	C25	H15	109.4°	109.4°
H16	C26	H17	109.5°	109.5°
H19	C28	H20	109.5°	109.5°
H21	C29	H22	109.4°	109.5°
H21	C29	H23	109.5°	109.5°
H22	C29	H23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C24	C27	H13	180.0°	180.0°
C24	C22	C8	H11	180.0°	180.0°
C22	C24	C27	C18	0.4°	0.2°
C24	C22	C8	C4	178.5°	180.0°
C24	C22	C8	C13	0.3°	0.3°
C22	C24	C27	H18	179.6°	180.0°
C27	C24	C22	C8	0.1°	0.0°
C24	C27	C18	H18	180.0°	179.8°
C24	C27	C18	C13	0.2°	0.2°
C24	C27	C18	O21	178.6°	179.7°
C27	C24	C22	H11	179.9°	180.0°
C22	C8	C4	C13	178.2°	179.8°
C22	C8	C13	C18	0.4°	0.3°
C22	C8	C4	C6	41.1°	115.3°
C22	C8	C4	N1	140.7°	64.8°
C22	C8	C13	H5	179.6°	179.8°
C8	C22	C24	H13	179.9°	180.0°
C27	C18	C13	C8	0.1°	0.1°
C27	C18	C13	O21	178.3°	179.9°
C27	C18	C13	H5	179.9°	180.0°
C27	C18	O21	H10	180.0°	89.9°
C18	C27	C24	H13	179.7°	179.8°
C29	C26	N14	H16	120.5°	119.9°
C29	C26	N14	H17	120.5°	120.0°
C29	C26	N14	C12	104.8°	90.0°
C29	C26	N14	C25	76.4°	90.0°
C29	C26	H16	H17	118.6°	120.0°
C26	C29	H21	H22	120.0°	119.9°
C26	C29	H21	H23	120.0°	120.0°
C26	C29	H22	H23	120.0°	120.0°
C4	C8	C13	C18	178.6°	179.9°
C8	C4	C6	N1	178.3°	179.9°
C8	C4	C6	N5	177.9°	179.8°
C8	C4	N1	C10	2.4°	0.0°
C8	C4	N1	C2	177.1°	179.6°
C8	C4	C6	H1	2.1°	0.0°
C4	C8	C13	H5	1.4°	0.0°
C4	C8	C22	H11	1.5°	0.0°
C8	C13	C18	H5	180.0°	179.9°
C8	C13	C18	O21	178.2°	180.0°
C13	C8	C4	C6	137.1°	64.9°
C13	C8	C4	N1	41.1°	115.0°
C13	C8	C22	H11	179.7°	179.7°
C13	C18	O21	H10	1.6°	90.0°
C13	C18	C27	H18	179.7°	180.0°
O21	C18	C13	H5	1.8°	0.1°
O21	C18	C27	H18	1.4°	0.1°
C4	C6	N5	H1	180.0°	179.9°
C4	C6	N5	C3	0.8°	0.1°
C6	C4	N1	C10	179.4°	180.0°
C6	C4	N1	C2	1.1°	0.3°
N5	C6	C4	N1	0.4°	0.1°
C6	N5	C3	C2	1.2°	0.2°
C6	N5	C3	N9	179.2°	179.9°
C26	N14	C12	C16	26.9°	179.7°
C26	N14	C12	C25	178.8°	180.0°
C26	N14	C12	C17	153.6°	0.0°
C26	N14	C25	C28	84.3°	90.0°
C26	N14	C25	H14	155.5°	30.0°
C26	N14	C25	H15	35.8°	150.0°
N14	C26	H16	H17	118.5°	120.1°
N14	C26	C29	H21	180.0°	180.0°
N14	C26	C29	H22	60.0°	60.1°
N14	C26	C29	H23	60.0°	60.0°
C4	N1	C10	C2	179.6°	179.7°
C4	N1	C2	C3	0.7°	0.2°
C4	N1	C10	C11	179.8°	179.7°
C4	N1	C2	N7	179.6°	179.8°
N1	C4	C6	H1	179.6°	180.0°
C4	N1	C10	H3	0.2°	0.3°
N5	C3	C2	N1	0.5°	0.0°
N5	C3	C2	N9	179.6°	179.9°
N5	C3	C2	N7	179.2°	180.0°
N5	C3	N9	C15	4.5°	5.6°
C3	N5	C6	H1	179.1°	179.7°
N5	C3	N9	H2	175.5°	174.3°
C19	C16	C12	H6	180.0°	180.0°
C16	C19	C15	H8	180.0°	180.0°
C19	C16	C12	N14	179.7°	179.7°
C19	C16	C12	C17	0.7°	0.0°
C16	C19	C15	N9	180.0°	179.8°
C16	C19	C15	C20	0.6°	0.3°
C12	C16	C19	C15	0.7°	0.0°
C16	C12	N14	C17	179.6°	179.7°
C16	C12	N14	C25	151.9°	0.3°
C16	C12	C17	C20	0.6°	0.3°
C16	C12	C17	H7	179.4°	179.7°
C12	C16	C19	H8	179.3°	180.0°
C19	C15	N9	C3	1.3°	36.6°
C19	C15	N9	C20	179.5°	179.5°
C19	C15	C20	C17	0.5°	0.6°
C19	C15	N9	H2	178.7°	143.5°
C15	C19	C16	H6	179.3°	180.0°
C19	C15	C20	H9	179.5°	180.0°
C12	N14	C25	C28	96.9°	90.0°
N14	C12	C17	C20	179.8°	180.0°
N14	C12	C16	H6	0.3°	0.3°
N14	C12	C17	H7	0.2°	0.0°
C12	N14	C25	H14	23.3°	150.0°
C12	N14	C25	H15	143.0°	30.0°
C12	N14	C26	H16	15.6°	150.1°
C12	N14	C26	H17	134.7°	30.1°
C25	N14	C12	C17	27.7°	180.0°
N14	C25	C28	H14	120.2°	120.0°
N14	C25	C28	H15	120.2°	120.0°
N14	C25	C28	O23	160.3°	65.0°
N14	C25	H14	H15	119.6°	120.0°
C25	N14	C26	H16	163.2°	30.0°
C25	N14	C26	H17	44.1°	150.0°
N14	C25	C28	H19	40.6°	55.0°
N14	C25	C28	H20	80.0°	175.0°
C10	N1	C2	C3	179.7°	180.0°
N1	C10	C11	H3	180.0°	180.0°
C10	N1	C2	N7	0.0°	0.0°
N1	C10	C11	N7	1.0°	0.0°
N1	C10	C11	H4	179.0°	180.0°
N1	C2	C3	N7	179.6°	180.0°
N1	C2	C3	N9	179.9°	179.9°
C2	N1	C10	C11	0.6°	0.0°
N1	C2	N7	C11	0.7°	0.0°
C2	N1	C10	H3	179.4°	180.0°
C12	C17	C20	C15	0.5°	0.6°
C12	C17	C20	H7	180.0°	179.9°
C17	C12	C16	H6	179.3°	180.0°
C12	C17	C20	H9	179.5°	180.0°
C2	C3	N9	C15	176.0°	174.3°
C3	C2	N7	C11	179.0°	180.0°
C2	C3	N9	H2	4.1°	5.7°
N9	C3	C2	N7	0.5°	0.0°
C3	N9	C15	H2	180.0°	180.0°
C3	N9	C15	C20	178.2°	144.0°
C10	C11	N7	C2	1.1°	0.0°
C10	C11	N7	H4	180.0°	180.0°
C2	N7	C11	H4	178.9°	180.0°
N9	C15	C20	C17	179.9°	180.0°
N9	C15	C19	H8	0.0°	0.3°
N9	C15	C20	H9	0.1°	0.5°
C15	C20	C17	H9	180.0°	179.4°
C20	C15	N9	H2	1.8°	36.0°
C15	C20	C17	H7	179.5°	179.5°
C20	C15	C19	H8	179.5°	179.8°
C25	C28	O23	H19	119.8°	120.0°
C25	C28	O23	H20	119.7°	120.1°
C25	C28	O23	H12	180.0°	180.0°
C28	C25	H14	H15	119.5°	120.0°
C25	C28	H19	H20	120.8°	120.1°
O23	C28	C25	H14	79.5°	55.0°
O23	C28	C25	H15	40.1°	175.0°
O23	C28	H19	H20	120.7°	119.9°
N7	C11	C10	H3	179.0°	180.0°
H3	C10	C11	H4	1.0°	0.0°
H6	C16	C19	H8	0.7°	0.1°
H7	C17	C20	H9	0.5°	0.1°
H11	C22	C24	H13	0.1°	0.0°
H12	O23	C28	H19	60.2°	60.0°
H12	O23	C28	H20	60.3°	59.9°
H13	C24	C27	H18	0.4°	0.0°
H14	C25	C28	H19	160.7°	175.0°
H14	C25	C28	H20	40.2°	65.0°
H15	C25	C28	H19	79.6°	65.1°
H15	C25	C28	H20	159.8°	55.0°
H16	C26	C29	H21	59.5°	60.0°
H16	C26	C29	H22	60.4°	180.0°
H16	C26	C29	H23	179.5°	60.0°
H17	C26	C29	H21	59.6°	60.0°
H17	C26	C29	H22	179.5°	60.0°
H17	C26	C29	H23	60.4°	179.9°
H21	C29	H22	H23	120.0°	120.0°

Release date:	2013-01-25
Definition date:	2012-07-10
Last modified:	2013-01-25
Release status:	REL
Processing site:	RCSB
Derived from:	4FYN