092

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N10	C7	sing	1.49Å	1.49Å
N10	C13	sing	1.48Å	1.50Å
C3	C5	doub	1.38Å	1.38Å	Aromatic
C3	C1	sing	1.38Å	1.37Å	Aromatic
C5	C8	sing	1.38Å	1.38Å	Aromatic
C7	C4	sing	1.55Å	1.51Å
C7	C9	sing	1.51Å	1.51Å
C13	C2	sing	1.53Å	1.52Å
C4	C2	sing	1.54Å	1.51Å
C1	C2	sing	1.50Å	1.49Å
C1	C17	doub	1.39Å	1.36Å	Aromatic
C9	O12	doub	1.21Å	1.22Å
C9	O11	sing	1.34Å	1.35Å
C8	C6	doub	1.38Å	1.37Å	Aromatic
C2	C14	sing	1.50Å	1.51Å
O11	C18	sing	1.45Å	1.43Å
C17	C6	sing	1.39Å	1.37Å	Aromatic
C17	N16	sing	1.40Å	1.40Å
C14	N16	sing	1.35Å	1.39Å
C14	O15	doub	1.21Å	1.23Å
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
C18	H12	sing	1.09Å	1.10Å
N16	H13	sing	0.97Å	1.00Å
N10	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	N10	C13	108.7°	105.9°
N10	C7	C4	105.4°	103.3°
N10	C7	C9	108.6°	110.7°
N10	C7	H9	114.5°	110.8°
C7	N10	H14	109.7°	111.0°
N10	C13	C2	106.0°	106.7°
N10	C13	H7	110.6°	110.0°
N10	C13	H8	110.6°	110.1°
C13	N10	H14	109.7°	111.0°
C5	C3	C1	118.5°	120.0°
C3	C5	C8	120.7°	119.9°
C3	C5	H1	119.7°	120.1°
C5	C3	H3	120.7°	120.0°
C3	C1	C2	129.8°	133.5°
C3	C1	C17	120.0°	120.6°
C1	C3	H3	120.7°	119.9°
C5	C8	C6	120.5°	120.3°
C8	C5	H1	119.6°	120.1°
C5	C8	H2	119.8°	119.8°
C4	C7	C9	114.4°	110.6°
C7	C4	C2	105.5°	102.7°
C7	C4	H5	110.8°	110.7°
C7	C4	H6	110.8°	111.0°
C4	C7	H9	108.7°	110.7°
C7	C9	O12	123.5°	120.0°
C7	C9	O11	113.4°	120.0°
C9	C7	H9	105.5°	110.6°
C13	C2	C4	107.6°	106.1°
C13	C2	C1	110.8°	111.6°
C13	C2	C14	113.4°	111.6°
C2	C13	H7	110.6°	110.0°
C2	C13	H8	110.6°	110.0°
C4	C2	C1	114.7°	111.4°
C4	C2	C14	108.5°	111.3°
C2	C4	H5	110.8°	110.7°
C2	C4	H6	110.8°	110.8°
C2	C1	C17	110.2°	105.9°
C1	C2	C14	101.9°	105.1°
C1	C17	C6	122.4°	119.0°
C1	C17	N16	109.8°	110.2°
O12	C9	O11	123.0°	120.0°
C9	O11	C18	108.5°	117.0°
C8	C6	C17	117.8°	120.2°
C6	C8	H2	119.7°	119.9°
C8	C6	H4	121.1°	119.9°
C2	C14	N16	108.1°	106.7°
C2	C14	O15	124.9°	126.7°
O11	C18	H10	109.5°	109.5°
O11	C18	H11	109.5°	109.5°
O11	C18	H12	109.5°	109.5°
C6	C17	N16	127.8°	130.8°
C17	C6	H4	121.1°	119.9°
C17	N16	C14	109.9°	112.1°
C17	N16	H13	125.1°	123.9°
N16	C14	O15	126.5°	126.7°
C14	N16	H13	125.0°	123.9°
H5	C4	H6	108.1°	110.7°
H7	C13	H8	108.3°	110.0°
H10	C18	H11	109.5°	109.5°
H10	C18	H12	109.5°	109.5°
H11	C18	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	N10	C13	H14	120.0°	120.6°
N10	C7	C4	C9	119.3°	118.4°
N10	C7	C4	H9	123.1°	118.7°
N10	C7	C9	H9	123.2°	123.2°
C7	N10	C13	C2	12.2°	25.2°
N10	C7	C4	C2	26.2°	36.7°
N10	C7	C9	O12	14.2°	13.9°
N10	C7	C9	O11	168.5°	166.1°
N10	C7	C4	H5	93.8°	154.9°
N10	C7	C4	H6	146.3°	81.7°
C7	N10	C13	H7	107.8°	94.1°
C7	N10	C13	H8	132.2°	144.4°
C13	N10	C7	C4	24.1°	38.7°
C13	N10	C7	C9	98.9°	157.1°
N10	C13	C2	H7	120.0°	119.3°
N10	C13	C2	H8	120.0°	119.4°
N10	C13	C2	C4	4.5°	1.4°
N10	C13	C2	C1	130.6°	122.9°
N10	C13	C2	C14	115.5°	119.9°
N10	C13	H7	H8	121.4°	121.5°
C13	N10	C7	H9	143.5°	79.9°
C5	C3	C1	H3	180.0°	180.0°
C3	C5	C8	H1	180.0°	179.8°
C5	C3	C1	C2	178.9°	180.0°
C5	C3	C1	C17	2.2°	0.5°
C3	C5	C8	C6	1.6°	0.3°
C3	C5	C8	H2	178.4°	179.8°
C1	C3	C5	C8	1.9°	0.0°
C3	C1	C2	C13	53.3°	59.0°
C3	C1	C2	C4	68.7°	59.3°
C3	C1	C2	C17	176.9°	179.6°
C3	C1	C2	C14	174.2°	179.9°
C3	C1	C17	C6	2.2°	0.7°
C3	C1	C17	N16	177.1°	179.9°
C1	C3	C5	H1	178.1°	179.8°
C5	C8	C6	H2	180.0°	179.9°
C5	C8	C6	C17	1.4°	0.0°
C8	C5	C3	H3	178.1°	180.0°
C5	C8	C6	H4	178.6°	180.0°
C4	C7	C9	H9	119.4°	123.0°
C7	C4	C2	C13	19.1°	21.5°
C7	C4	C2	H5	120.0°	118.3°
C7	C4	C2	H6	120.0°	118.5°
C7	C4	C2	C1	142.8°	100.2°
C4	C7	C9	O12	131.6°	100.0°
C4	C7	C9	O11	51.1°	80.1°
C7	C4	C2	C14	104.0°	142.9°
C7	C4	H5	H6	121.6°	123.5°
C4	C7	N10	H14	144.1°	81.8°
C9	C7	C4	C2	93.0°	155.1°
C7	C9	O12	O11	177.0°	179.9°
C7	C9	O11	C18	175.6°	180.0°
C9	C7	C4	H5	147.0°	86.6°
C9	C7	C4	H6	27.0°	36.7°
C9	C7	N10	H14	21.0°	36.5°
C13	C2	C4	C1	123.7°	121.6°
C13	C2	C4	C14	123.1°	121.5°
C13	C2	C1	C14	120.9°	121.1°
C13	C2	C1	C17	123.6°	120.6°
C13	C2	C14	N16	123.4°	120.7°
C13	C2	C14	O15	64.1°	59.2°
C13	C2	C4	H5	100.9°	139.7°
C13	C2	C4	H6	139.1°	97.1°
C2	C13	H7	H8	121.4°	121.3°
C2	C13	N10	H14	132.2°	95.4°
C4	C2	C1	C14	117.0°	120.6°
C4	C2	C1	C17	114.3°	121.1°
C4	C2	C14	N16	117.1°	121.1°
C4	C2	C14	O15	55.5°	59.0°
C2	C4	H5	H6	121.6°	123.3°
C4	C2	C13	H7	124.5°	117.9°
C4	C2	C13	H8	115.5°	120.8°
C2	C4	C7	H9	149.4°	82.0°
C2	C1	C17	C6	179.4°	179.6°
C2	C1	C17	N16	0.1°	0.4°
C1	C2	C14	N16	4.3°	0.4°
C1	C2	C14	O15	176.8°	179.6°
C2	C1	C3	H3	1.1°	0.0°
C1	C2	C4	H5	22.8°	18.1°
C1	C2	C4	H6	97.1°	141.3°
C1	C2	C13	H7	109.4°	3.5°
C1	C2	C13	H8	10.6°	117.8°
C1	C17	C6	C8	1.7°	0.5°
C17	C1	C2	C14	2.7°	0.5°
C1	C17	C6	N16	179.2°	179.0°
C1	C17	N16	C14	2.8°	0.1°
C17	C1	C3	H3	177.8°	179.5°
C1	C17	C6	H4	178.3°	179.6°
C1	C17	N16	H13	177.2°	180.0°
O12	C9	O11	C18	7.1°	0.0°
O12	C9	C7	H9	109.0°	137.0°
O11	C9	C7	H9	68.3°	42.9°
C9	O11	C18	H10	180.0°	60.0°
C9	O11	C18	H11	60.0°	179.9°
C9	O11	C18	H12	60.0°	60.0°
C8	C6	C17	H4	180.0°	180.0°
C8	C6	C17	N16	177.4°	179.5°
C6	C8	C5	H1	178.4°	180.0°
C2	C14	N16	C17	4.5°	0.2°
C2	C14	N16	O15	172.4°	179.9°
C14	C2	C4	H5	136.0°	98.8°
C14	C2	C4	H6	16.0°	24.4°
C14	C2	C13	H7	4.4°	120.8°
C14	C2	C13	H8	124.5°	0.5°
C2	C14	N16	H13	175.5°	179.7°
O11	C18	H10	H11	120.0°	120.0°
O11	C18	H10	H12	120.0°	120.0°
O11	C18	H11	H12	120.0°	120.0°
C6	C17	N16	C14	176.4°	179.2°
C17	C6	C8	H2	178.6°	180.0°
C6	C17	N16	H13	3.6°	0.9°
C17	N16	C14	H13	180.0°	179.9°
C17	N16	C14	O15	176.9°	179.9°
N16	C17	C6	H4	2.6°	0.5°
O15	C14	N16	H13	3.1°	0.3°
H1	C5	C8	H2	1.6°	0.0°
H1	C5	C3	H3	1.9°	0.2°
H2	C8	C6	H4	1.4°	0.0°
H5	C4	C7	H9	29.4°	36.3°
H6	C4	C7	H9	90.6°	159.6°
H7	C13	N10	H14	12.2°	145.3°
H8	C13	N10	H14	107.8°	23.9°
H9	C7	N10	H14	96.6°	159.6°
H10	C18	H11	H12	120.0°	120.0°

Definition date:	2011-11-01
Last modified:	2012-04-13
Release status:	REL
Processing site:	RCSB
Derived from:	3UDJ