SRD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.38Å	Aromatic
C1	C6	sing	1.36Å	1.40Å	Aromatic
C1	C7'	sing	1.51Å	1.50Å
C2	C3	sing	1.42Å	1.42Å	Aromatic
C2	C7	sing	1.41Å	1.38Å	Aromatic
C3	C4	doub	1.40Å	1.39Å	Aromatic
C3	C10	sing	1.41Å	1.40Å	Aromatic
C4	C5	sing	1.36Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.39Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.36Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	sing	1.39Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	doub	1.36Å	1.37Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å
C7'	C8'	sing	1.53Å	1.52Å
C7'	H7'1	sing	1.09Å	1.12Å
C7'	H7'2	sing	1.09Å	1.12Å
C8'	N	sing	1.46Å	1.45Å
C8'	B	sing	1.60Å	1.58Å
C8'	H8'	sing	1.09Å	1.11Å
C9'	C	sing	1.51Å	1.51Å
C9'	H9'1	sing	1.09Å	1.11Å
C9'	H9'2	sing	1.09Å	1.11Å
C9'	H9'3	sing	1.09Å	1.11Å
C	N	sing	1.35Å	1.33Å
C	O	doub	1.21Å	1.24Å
N	HN	sing	0.97Å	1.02Å
O1B	B	sing	1.37Å	1.48Å
O1B	HOB1	sing	0.97Å	0.95Å
O2B	B	sing	1.37Å	1.60Å
O2B	HOB2	sing	0.97Å	0.95Å
O3B	B	sing	1.37Å	1.42Å
O3B	HOB3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.3°	119.7°
C2	C1	C7'	120.9°	120.2°
C1	C2	C3	120.5°	119.3°
C1	C2	C7	120.2°	121.3°
C6	C1	C7'	120.8°	120.2°
C1	C6	C5	121.5°	120.9°
C1	C6	H6	118.8°	119.5°
C1	C7'	C8'	113.9°	109.5°
C1	C7'	H7'1	110.6°	109.5°
C1	C7'	H7'2	110.6°	109.5°
C3	C2	C7	119.3°	119.4°
C2	C3	C4	120.2°	119.4°
C2	C3	C10	120.3°	119.3°
C2	C7	C8	120.1°	119.7°
C2	C7	H7	119.7°	120.1°
C4	C3	C10	119.5°	121.3°
C3	C4	C5	119.6°	119.6°
C3	C4	H4	120.2°	120.2°
C3	C10	C9	119.5°	119.7°
C3	C10	H10	121.0°	120.2°
C5	C4	H4	120.2°	120.2°
C4	C5	C6	119.8°	121.0°
C4	C5	H5	119.4°	119.5°
C6	C5	H5	120.9°	119.5°
C5	C6	H6	119.8°	119.5°
C8	C7	H7	120.2°	120.2°
C7	C8	C9	120.4°	121.0°
C7	C8	H8	119.2°	119.4°
C9	C8	H8	120.4°	119.6°
C8	C9	C10	120.4°	121.0°
C8	C9	H9	120.8°	119.5°
C10	C9	H9	118.8°	119.5°
C9	C10	H10	119.5°	120.1°
C8'	C7'	H7'1	110.6°	109.4°
C8'	C7'	H7'2	110.6°	109.5°
C7'	C8'	N	118.7°	109.5°
C7'	C8'	B	105.3°	109.4°
C7'	C8'	H8'	105.9°	109.5°
H7'1	C7'	H7'2	99.6°	109.4°
N	C8'	B	108.8°	109.5°
N	C8'	H8'	102.3°	109.5°
C8'	N	C	121.5°	120.0°
C8'	N	HN	123.7°	120.0°
B	C8'	H8'	116.4°	109.4°
C8'	B	O1B	109.8°	109.4°
C8'	B	O2B	113.9°	109.5°
C8'	B	O3B	122.3°	109.4°
C	C9'	H9'1	118.6°	109.5°
C	C9'	H9'2	108.9°	109.5°
C	C9'	H9'3	108.9°	109.5°
C9'	C	N	118.6°	120.0°
C9'	C	O	119.2°	120.0°
H9'1	C9'	H9'2	108.9°	109.4°
H9'1	C9'	H9'3	108.9°	109.5°
H9'2	C9'	H9'3	101.1°	109.5°
N	C	O	122.1°	120.0°
C	N	HN	114.8°	120.0°
B	O1B	HOB1	109.8°	106.8°
O1B	B	O2B	93.6°	109.5°
O1B	B	O3B	99.2°	109.5°
B	O2B	HOB2	113.9°	106.8°
O2B	B	O3B	112.7°	109.5°
B	O3B	HOB3	122.3°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7'	178.9°	179.7°
C1	C2	C3	C7	179.2°	179.2°
C1	C2	C3	C4	0.6°	0.5°
C1	C2	C3	C10	179.7°	179.7°
C2	C1	C6	C5	0.3°	0.3°
C2	C1	C6	H6	179.7°	179.7°
C1	C2	C7	C8	179.5°	179.7°
C1	C2	C7	H7	0.6°	0.6°
C2	C1	C7'	C8'	102.6°	72.6°
C2	C1	C7'	H7'1	132.1°	167.4°
C2	C1	C7'	H7'2	22.7°	47.4°
C6	C1	C2	C3	0.6°	0.5°
C6	C1	C2	C7	178.6°	179.7°
C1	C6	C5	C4	0.0°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	180.0°	180.0°
C6	C1	C7'	C8'	78.5°	107.7°
C6	C1	C7'	H7'1	46.8°	12.3°
C6	C1	C7'	H7'2	156.2°	132.3°
C7'	C1	C2	C3	178.4°	179.7°
C7'	C1	C2	C7	2.4°	0.6°
C7'	C1	C6	C5	178.7°	180.0°
C7'	C1	C6	H6	1.3°	0.0°
C1	C7'	C8'	H7'1	125.3°	120.0°
C1	C7'	C8'	H7'2	125.3°	120.0°
C1	C7'	H7'1	H7'2	116.5°	120.0°
C1	C7'	C8'	N	75.6°	174.4°
C1	C7'	C8'	B	162.4°	65.6°
C1	C7'	C8'	H8'	38.5°	54.4°
C2	C3	C4	C10	179.1°	179.8°
C2	C3	C4	C5	0.3°	0.2°
C2	C3	C4	H4	179.7°	179.8°
C3	C2	C7	C8	0.2°	0.6°
C3	C2	C7	H7	179.8°	179.7°
C2	C3	C10	C9	0.3°	0.2°
C2	C3	C10	H10	179.7°	179.8°
C7	C2	C3	C4	178.6°	179.6°
C7	C2	C3	C10	0.5°	0.5°
C2	C7	C8	H7	180.0°	179.7°
C2	C7	C8	C9	0.1°	0.3°
C2	C7	C8	H8	179.9°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H5	180.0°	180.0°
C4	C3	C10	C9	178.8°	180.0°
C4	C3	C10	H10	1.2°	0.0°
C10	C3	C4	C5	179.4°	179.9°
C10	C3	C4	H4	0.6°	0.0°
C3	C10	C9	C8	0.1°	0.1°
C3	C10	C9	H10	180.0°	180.0°
C3	C10	C9	H9	179.9°	179.9°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	180.0°	180.0°
H4	C4	C5	C6	180.0°	180.0°
H4	C4	C5	H5	0.0°	0.0°
H5	C5	C6	H6	0.0°	0.0°
C7	C8	C9	H8	179.9°	180.0°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	H9	179.7°	180.0°
H7	C7	C8	C9	179.8°	180.0°
H7	C7	C8	H8	0.1°	0.0°
C8	C9	C10	H9	179.9°	180.0°
C8	C9	C10	H10	180.0°	179.9°
H8	C8	C9	C10	179.8°	180.0°
H8	C8	C9	H9	0.3°	0.0°
H9	C9	C10	H10	0.1°	0.1°
C8'	C7'	H7'1	H7'2	116.4°	119.9°
C7'	C8'	N	B	120.3°	120.0°
C7'	C8'	N	H8'	116.1°	120.0°
C7'	C8'	B	H8'	116.9°	119.9°
C7'	C8'	N	C	127.3°	158.8°
C7'	C8'	N	HN	52.6°	21.3°
C7'	C8'	B	O1B	85.0°	89.1°
C7'	C8'	B	O2B	171.6°	30.9°
C7'	C8'	B	O3B	30.4°	150.9°
H7'1	C7'	C8'	N	49.7°	65.5°
H7'1	C7'	C8'	B	72.3°	54.5°
H7'1	C7'	C8'	H8'	163.9°	174.4°
H7'2	C7'	C8'	N	159.1°	54.4°
H7'2	C7'	C8'	B	37.1°	174.4°
H7'2	C7'	C8'	H8'	86.8°	65.7°
N	C8'	B	H8'	114.8°	120.0°
C8'	N	C	C9'	170.1°	172.7°
C8'	N	C	HN	180.0°	180.0°
C8'	N	C	O	7.7°	7.4°
N	C8'	B	O1B	43.3°	30.9°
N	C8'	B	O2B	60.2°	150.9°
N	C8'	B	O3B	158.7°	89.1°
B	C8'	N	C	112.4°	38.8°
B	C8'	N	HN	67.6°	141.3°
C8'	B	O1B	O2B	117.0°	120.0°
C8'	B	O1B	O3B	129.3°	119.9°
C8'	B	O1B	HOB1	180.0°	65.3°
C8'	B	O2B	O3B	144.9°	120.0°
C8'	B	O2B	HOB2	179.9°	180.0°
C8'	B	O3B	HOB3	179.9°	60.1°
H8'	C8'	N	C	11.3°	81.2°
H8'	C8'	N	HN	168.7°	98.7°
H8'	C8'	B	O1B	158.1°	150.9°
H8'	C8'	B	O2B	54.7°	89.1°
H8'	C8'	B	O3B	86.5°	31.0°
C	C9'	H9'1	H9'2	125.3°	120.0°
C	C9'	H9'1	H9'3	125.3°	120.0°
C	C9'	H9'2	H9'3	114.6°	120.0°
C9'	C	N	O	177.8°	180.0°
C9'	C	N	HN	9.8°	7.4°
H9'1	C9'	H9'2	H9'3	114.6°	120.0°
H9'1	C9'	C	N	180.0°	90.0°
H9'1	C9'	C	O	2.1°	90.0°
H9'2	C9'	C	N	54.7°	30.0°
H9'2	C9'	C	O	123.2°	150.0°
H9'3	C9'	C	N	54.7°	150.0°
H9'3	C9'	C	O	127.4°	30.0°
O	C	N	HN	172.3°	172.6°
O1B	B	O2B	O3B	101.6°	120.1°
O1B	B	O2B	HOB2	66.4°	60.0°
O1B	B	O3B	HOB3	59.3°	180.0°
HOB1	O1B	B	O2B	63.0°	54.7°
HOB1	O1B	B	O3B	50.6°	174.8°
O2B	B	O3B	HOB3	38.5°	60.0°
HOB2	O2B	B	O3B	35.1°	60.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	4VGC