0OV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C19	doub	1.35Å	1.37Å
C18	C16	sing	1.42Å	1.45Å
O17	C16	doub	1.22Å	1.23Å
N23	C22	trip	1.14Å	1.14Å
C19	N20	sing	1.36Å	1.38Å
C16	C15	sing	1.47Å	1.50Å
C22	C21	sing	1.47Å	1.48Å
N20	C21	sing	1.47Å	1.48Å
N20	C24	sing	1.37Å	1.40Å
C15	C24	doub	1.41Å	1.45Å	Aromatic
C15	C13	sing	1.41Å	1.43Å	Aromatic
C24	N25	sing	1.33Å	1.35Å	Aromatic
N14	C13	sing	1.38Å	1.38Å
C13	N12	doub	1.33Å	1.35Å	Aromatic
N25	C11	doub	1.32Å	1.34Å	Aromatic
N12	C11	sing	1.33Å	1.34Å	Aromatic
C11	O10	sing	1.35Å	1.36Å
C6	C7	sing	1.53Å	1.54Å
C6	C5	sing	1.53Å	1.54Å
C7	C8	sing	1.53Å	1.55Å
C8	O10	sing	1.43Å	1.44Å
C8	C2	sing	1.53Å	1.56Å
C5	C4	sing	1.53Å	1.55Å
C2	C4	sing	1.53Å	1.55Å
C2	C1	sing	1.53Å	1.54Å
C21	H1	sing	1.09Å	1.10Å
C21	H2	sing	1.09Å	1.10Å
C18	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
N14	H17	sing	0.97Å	1.00Å
N14	H18	sing	0.97Å	1.00Å
C19	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C18	C16	120.2°	120.0°
C18	C19	N20	122.8°	122.6°
C19	C18	H3	119.9°	120.0°
C18	C19	H19	118.6°	118.7°
C18	C16	O17	120.6°	121.2°
C18	C16	C15	117.7°	117.6°
C16	C18	H3	119.9°	120.0°
O17	C16	C15	121.7°	121.2°
N23	C22	C21	179.5°	180.0°
C19	N20	C21	118.6°	119.2°
C19	N20	C24	121.5°	121.6°
N20	C19	H19	118.6°	118.8°
C16	C15	C24	118.5°	118.8°
C16	C15	C13	123.9°	122.3°
C22	C21	N20	111.3°	109.5°
C22	C21	H1	109.0°	109.5°
C22	C21	H2	109.0°	109.5°
C21	N20	C24	119.9°	119.2°
N20	C21	H1	109.0°	109.5°
N20	C21	H2	109.0°	109.4°
N20	C24	C15	119.4°	119.5°
N20	C24	N25	121.9°	121.9°
C24	C15	C13	117.6°	118.9°
C15	C24	N25	118.8°	118.6°
C15	C13	N14	121.4°	120.9°
C15	C13	N12	118.5°	118.2°
C24	N25	C11	121.5°	120.6°
N14	C13	N12	120.1°	120.8°
C13	N14	H17	109.5°	120.0°
C13	N14	H18	109.5°	120.0°
C13	N12	C11	121.9°	120.9°
N25	C11	N12	121.7°	122.7°
N25	C11	O10	119.6°	118.7°
N12	C11	O10	118.6°	118.6°
C11	O10	C8	118.2°	117.0°
C7	C6	C5	109.9°	109.4°
C6	C7	C8	110.4°	109.5°
C7	C6	H4	109.3°	109.5°
C7	C6	H5	109.4°	109.5°
C6	C7	H14	109.2°	109.4°
C6	C7	H15	109.3°	109.5°
C6	C5	C4	110.0°	109.5°
C5	C6	H4	109.4°	109.4°
C5	C6	H5	109.4°	109.5°
C6	C5	H12	109.4°	109.5°
C6	C5	H13	109.4°	109.5°
C7	C8	O10	110.1°	109.4°
C7	C8	C2	112.1°	109.5°
C8	C7	H14	109.3°	109.5°
C8	C7	H15	109.2°	109.5°
C7	C8	H16	107.7°	109.5°
O10	C8	C2	110.2°	109.5°
O10	C8	H16	109.0°	109.4°
C8	C2	C4	111.3°	109.5°
C8	C2	C1	111.6°	109.5°
C8	C2	H8	107.5°	109.4°
C2	C8	H16	107.6°	109.5°
C5	C4	C2	111.4°	109.5°
C5	C4	H6	109.0°	109.5°
C5	C4	H7	109.0°	109.5°
C4	C5	H12	109.3°	109.5°
C4	C5	H13	109.3°	109.5°
C4	C2	C1	110.8°	109.5°
C2	C4	H6	109.0°	109.4°
C2	C4	H7	109.0°	109.5°
C4	C2	H8	107.6°	109.4°
C1	C2	H8	107.7°	109.5°
C2	C1	H9	109.5°	109.4°
C2	C1	H10	109.5°	109.5°
C2	C1	H11	109.5°	109.4°
H1	C21	H2	109.5°	109.5°
H4	C6	H5	109.5°	109.5°
H6	C4	H7	109.5°	109.5°
H9	C1	H10	109.5°	109.5°
H9	C1	H11	109.5°	109.5°
H10	C1	H11	109.5°	109.5°
H12	C5	H13	109.5°	109.4°
H14	C7	H15	109.4°	109.5°
H17	N14	H18	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C18	C16	H3	180.0°	179.7°
C19	C18	C16	O17	179.9°	180.0°
C18	C19	N20	H19	180.0°	179.7°
C19	C18	C16	C15	0.1°	0.2°
C18	C19	N20	C21	179.9°	180.0°
C18	C19	N20	C24	0.0°	0.0°
C18	C16	O17	C15	179.7°	179.8°
C16	C18	C19	N20	0.1°	0.3°
C18	C16	C15	C24	0.1°	0.1°
C18	C16	C15	C13	179.8°	180.0°
C16	C18	C19	H19	179.9°	180.0°
O17	C16	C15	C24	179.8°	179.7°
O17	C16	C15	C13	0.1°	0.2°
O17	C16	C18	H3	0.1°	0.3°
N23	C22	C21	N20	81.2°	124.6°
N23	C22	C21	H1	158.5°	4.6°
N23	C22	C21	H2	39.1°	115.5°
C19	N20	C21	C22	109.3°	90.0°
C19	N20	C21	C24	179.9°	180.0°
C19	N20	C24	C15	0.1°	0.3°
C19	N20	C24	N25	179.6°	180.0°
C19	N20	C21	H1	11.0°	30.0°
C19	N20	C21	H2	130.5°	150.0°
N20	C19	C18	H3	179.9°	180.0°
C16	C15	C24	N20	0.0°	0.3°
C16	C15	C24	C13	180.0°	179.9°
C16	C15	C24	N25	179.7°	180.0°
C16	C15	C13	N14	0.1°	0.0°
C16	C15	C13	N12	179.6°	180.0°
C15	C16	C18	H3	179.9°	180.0°
C22	C21	N20	H1	120.3°	120.0°
C22	C21	N20	H2	120.3°	120.0°
C22	C21	N20	C24	70.8°	90.0°
C22	C21	H1	H2	119.2°	120.0°
C21	N20	C24	C15	179.9°	179.7°
C21	N20	C24	N25	0.5°	0.1°
N20	C21	H1	H2	119.2°	120.0°
C21	N20	C19	H19	0.1°	0.3°
N20	C24	C15	N25	179.6°	179.7°
N20	C24	C15	C13	179.9°	179.7°
N20	C24	N25	C11	179.7°	179.7°
C24	N20	C21	H1	168.9°	150.0°
C24	N20	C21	H2	49.4°	30.0°
C24	N20	C19	H19	180.0°	179.7°
C24	C15	C13	N14	179.9°	180.0°
C24	C15	C13	N12	0.4°	0.1°
C15	C24	N25	C11	0.0°	0.0°
C13	C15	C24	N25	0.3°	0.1°
C15	C13	N14	N12	179.7°	180.0°
C15	C13	N12	C11	0.2°	0.1°
C15	C13	N14	H17	179.7°	0.0°
C15	C13	N14	H18	59.7°	179.9°
C24	N25	C11	N12	0.2°	0.1°
C24	N25	C11	O10	179.5°	180.0°
N14	C13	N12	C11	179.9°	179.9°
C13	N14	H17	H18	120.0°	180.0°
C13	N12	C11	N25	0.1°	0.1°
C13	N12	C11	O10	179.6°	180.0°
N12	C13	N14	H17	0.0°	180.0°
N12	C13	N14	H18	120.0°	0.0°
N25	C11	N12	O10	179.7°	179.9°
N25	C11	O10	C8	17.0°	180.0°
N12	C11	O10	C8	162.7°	0.0°
C11	O10	C8	C7	129.3°	90.0°
C11	O10	C8	C2	106.5°	150.0°
C11	O10	C8	H16	11.4°	30.0°
C7	C6	C5	H4	120.0°	120.0°
C7	C6	C5	H5	120.1°	120.0°
C6	C7	C8	H14	120.1°	120.0°
C6	C7	C8	H15	120.2°	120.0°
C6	C7	C8	O10	178.1°	60.0°
C6	C7	C8	C2	55.0°	60.0°
C7	C6	C5	C4	61.0°	60.0°
C7	C6	H4	H5	119.8°	120.0°
C7	C6	C5	H12	178.9°	60.0°
C7	C6	C5	H13	59.1°	180.0°
C6	C7	H14	H15	119.6°	120.0°
C6	C7	C8	H16	63.1°	179.9°
C5	C6	C7	C8	59.5°	60.0°
C6	C5	C4	H12	120.1°	120.0°
C6	C5	C4	H13	120.1°	120.0°
C6	C5	C4	C2	57.8°	60.0°
C5	C6	H4	H5	119.8°	120.0°
C6	C5	C4	H6	62.5°	60.0°
C6	C5	C4	H7	178.1°	180.0°
C6	C5	H12	H13	119.8°	119.9°
C5	C6	C7	H14	60.6°	180.0°
C5	C6	C7	H15	179.7°	60.1°
C7	C8	O10	C2	124.2°	120.0°
C7	C8	O10	H16	117.9°	120.0°
C7	C8	C2	H16	118.2°	120.1°
C7	C8	C2	C4	51.6°	59.9°
C7	C8	C2	C1	72.8°	180.0°
C8	C7	C6	H4	60.5°	60.0°
C8	C7	C6	H5	179.6°	180.0°
C7	C8	C2	H8	169.2°	60.0°
C8	C7	H14	H15	119.6°	120.0°
O10	C8	C2	H16	118.8°	120.0°
O10	C8	C2	C4	174.6°	60.0°
O10	C8	C2	C1	50.2°	60.0°
O10	C8	C2	H8	67.8°	180.0°
O10	C8	C7	H14	58.0°	60.0°
O10	C8	C7	H15	61.7°	179.9°
C8	C2	C4	C5	52.9°	60.0°
C8	C2	C4	C1	124.9°	120.1°
C8	C2	C4	H8	117.6°	119.9°
C8	C2	C1	H8	117.8°	120.0°
C8	C2	C4	H6	67.4°	60.0°
C8	C2	C4	H7	173.2°	180.0°
C8	C2	C1	H9	180.0°	60.1°
C8	C2	C1	H10	60.0°	60.0°
C8	C2	C1	H11	60.0°	180.0°
C2	C8	C7	H14	65.1°	179.9°
C2	C8	C7	H15	175.2°	60.1°
C5	C4	C2	H6	120.3°	120.0°
C5	C4	C2	H7	120.3°	120.0°
C5	C4	C2	C1	72.0°	180.0°
C4	C5	C6	H4	59.0°	60.0°
C4	C5	C6	H5	178.9°	180.0°
C5	C4	H6	H7	119.1°	120.0°
C5	C4	C2	H8	170.4°	60.0°
C4	C5	H12	H13	119.8°	120.0°
C4	C2	C1	H8	117.5°	120.0°
C2	C4	H6	H7	119.1°	120.0°
C4	C2	C1	H9	55.3°	60.0°
C4	C2	C1	H10	64.7°	180.0°
C4	C2	C1	H11	175.3°	60.0°
C2	C4	C5	H12	177.9°	60.0°
C2	C4	C5	H13	62.3°	180.0°
C4	C2	C8	H16	66.6°	180.0°
C1	C2	C4	H6	167.7°	60.0°
C1	C2	C4	H7	48.3°	60.0°
C2	C1	H9	H10	120.0°	120.0°
C2	C1	H9	H11	120.0°	119.9°
C2	C1	H10	H11	120.0°	120.0°
C1	C2	C8	H16	169.0°	59.9°
H3	C18	C19	H19	0.1°	0.3°
H4	C6	C5	H12	61.0°	180.0°
H4	C6	C5	H13	179.1°	60.1°
H4	C6	C7	H14	179.3°	60.0°
H4	C6	C7	H15	59.6°	180.0°
H5	C6	C5	H12	58.9°	59.9°
H5	C6	C5	H13	61.0°	60.0°
H5	C6	C7	H14	59.5°	60.1°
H5	C6	C7	H15	60.2°	59.9°
H6	C4	C2	H8	50.2°	180.0°
H6	C4	C5	H12	57.6°	180.0°
H6	C4	C5	H13	177.4°	60.1°
H7	C4	C2	H8	69.3°	60.0°
H7	C4	C5	H12	61.8°	60.0°
H7	C4	C5	H13	58.0°	60.0°
H8	C2	C1	H9	62.2°	180.0°
H8	C2	C1	H10	177.8°	60.0°
H8	C2	C1	H11	57.8°	60.0°
H8	C2	C8	H16	51.1°	60.1°
H9	C1	H10	H11	120.0°	120.1°
H14	C7	C8	H16	176.7°	60.0°
H15	C7	C8	H16	57.0°	60.0°

Release date:	2013-04-03
Definition date:	2012-04-04
Last modified:	2013-03-29
Release status:	REL
Processing site:	RCSB
Derived from:	4EFE