H75

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.22Å	1.23Å
C2	N3	sing	1.34Å	1.37Å
C2	N10	sing	1.35Å	1.38Å
N3	C4	sing	1.47Å	1.44Å
N3	C8	sing	1.39Å	1.36Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.54Å	1.51Å
C7	C8	sing	1.51Å	1.48Å
C8	C9	doub	1.32Å	1.33Å
C9	N10	sing	1.39Å	1.36Å
N10	C11	sing	1.40Å	1.39Å
C11	C12	doub	1.39Å	1.37Å	Aromatic
C11	C17	sing	1.39Å	1.37Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C14	BR	sing	1.89Å	1.89Å
C14	C16	sing	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.37Å	Aromatic
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N3	128.1°	126.0°
O1	C2	N10	128.8°	126.0°
N3	C2	N10	103.2°	108.1°
C2	N3	C4	124.4°	128.0°
C2	N3	C8	110.6°	108.0°
C2	N10	C9	110.7°	108.0°
C2	N10	C11	121.2°	126.0°
C4	N3	C8	124.9°	123.9°
N3	C4	C5	111.8°	108.6°
N3	C4	H4	108.9°	109.6°
N3	C4	H4A	108.9°	109.6°
N3	C8	C7	122.3°	123.8°
N3	C8	C9	107.9°	108.0°
C4	C5	C6	110.7°	109.5°
C5	C4	H4	108.9°	109.6°
C5	C4	H4A	108.9°	109.6°
C4	C5	H5	109.2°	109.5°
C4	C5	H5A	109.2°	109.5°
C5	C6	C7	109.8°	109.1°
C6	C5	H5	109.2°	109.4°
C6	C5	H5A	109.2°	109.5°
C5	C6	H6	109.4°	109.5°
C5	C6	H6A	109.4°	109.6°
C6	C7	C8	108.5°	107.9°
C7	C6	H6	109.4°	109.5°
C7	C6	H6A	109.4°	109.5°
C6	C7	H7	109.7°	109.7°
C6	C7	H7A	109.7°	109.8°
C7	C8	C9	129.8°	128.2°
C8	C7	H7	109.7°	109.8°
C8	C7	H7A	109.7°	109.8°
C8	C9	N10	107.6°	107.8°
C8	C9	H9	126.2°	126.1°
C9	N10	C11	128.1°	126.0°
N10	C9	H9	126.2°	126.1°
N10	C11	C12	120.3°	120.0°
N10	C11	C17	118.3°	120.1°
C12	C11	C17	121.3°	119.9°
C11	C12	C13	119.2°	119.9°
C11	C12	H12	120.4°	120.1°
C11	C17	C16	119.2°	119.9°
C11	C17	H17	120.4°	120.1°
C12	C13	C14	119.7°	120.1°
C13	C12	H12	120.4°	120.1°
C12	C13	H13	120.1°	119.9°
C13	C14	BR	119.6°	120.0°
C13	C14	C16	120.5°	120.1°
C14	C13	H13	120.2°	120.0°
BR	C14	C16	119.9°	120.0°
C14	C16	C17	120.0°	120.1°
C14	C16	H16	120.0°	119.9°
C17	C16	H16	120.0°	120.0°
C16	C17	H17	120.4°	120.0°
H4	C4	H4A	109.5°	109.8°
H5	C5	H5A	109.4°	109.5°
H6	C6	H6A	109.4°	109.6°
H7	C7	H7A	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N3	N10	179.8°	179.7°
O1	C2	N3	C4	0.4°	2.4°
O1	C2	N3	C8	179.5°	178.5°
O1	C2	N10	C9	179.5°	178.8°
O1	C2	N10	C11	2.3°	1.1°
C2	N3	C4	C8	179.9°	179.0°
C2	N3	C4	C5	170.9°	161.5°
C2	N3	C8	C7	179.8°	177.8°
C2	N3	C8	C9	0.2°	1.3°
N3	C2	N10	C9	0.3°	1.5°
N3	C2	N10	C11	177.5°	178.6°
C2	N3	C4	H4	50.5°	41.7°
C2	N3	C4	H4A	68.8°	78.9°
N10	C2	N3	C4	179.8°	177.3°
N10	C2	N3	C8	0.2°	1.8°
C2	N10	C9	C8	0.2°	0.7°
C2	N10	C9	C11	177.0°	179.9°
C2	N10	C11	C12	109.9°	180.0°
C2	N10	C11	C17	68.0°	0.3°
C2	N10	C9	H9	179.8°	179.5°
N3	C4	C5	H4	120.3°	119.8°
N3	C4	C5	H4A	120.3°	119.7°
N3	C4	C5	C6	40.4°	52.0°
C4	N3	C8	C7	0.2°	3.0°
C4	N3	C8	C9	179.9°	177.8°
N3	C4	H4	H4A	118.9°	120.5°
N3	C4	C5	H5	79.8°	67.9°
N3	C4	C5	H5A	160.6°	172.0°
C8	N3	C4	C5	9.0°	19.6°
N3	C8	C7	C6	22.7°	18.2°
N3	C8	C7	C9	179.9°	179.0°
N3	C8	C9	N10	0.0°	0.4°
C8	N3	C4	H4	129.4°	139.3°
C8	N3	C4	H4A	111.3°	100.1°
N3	C8	C7	H7	97.1°	101.3°
N3	C8	C7	H7A	142.5°	137.8°
N3	C8	C9	H9	180.0°	179.4°
C4	C5	C6	H5	120.2°	119.9°
C4	C5	C6	H5A	120.2°	120.0°
C4	C5	C6	C7	65.1°	71.0°
C5	C4	H4	H4A	118.9°	120.4°
C4	C5	H5	H5A	119.4°	120.0°
C4	C5	C6	H6	174.9°	169.1°
C4	C5	C6	H6A	55.0°	48.9°
C5	C6	C7	H6	120.1°	119.9°
C5	C6	C7	H6A	120.1°	119.9°
C5	C6	C7	C8	53.6°	50.2°
C6	C5	C4	H4	160.8°	171.8°
C6	C5	C4	H4A	79.9°	67.7°
C6	C5	H5	H5A	119.4°	120.0°
C5	C6	H6	H6A	119.9°	120.2°
C5	C6	C7	H7	66.2°	69.4°
C5	C6	C7	H7A	173.4°	169.8°
C6	C7	C8	H7	119.8°	119.6°
C6	C7	C8	H7A	119.8°	119.6°
C6	C7	C8	C9	157.4°	162.8°
C7	C6	C5	H5	55.2°	48.9°
C7	C6	C5	H5A	174.7°	169.0°
C7	C6	H6	H6A	119.8°	120.1°
C6	C7	H7	H7A	120.5°	120.8°
C7	C8	C9	N10	179.9°	178.7°
C8	C7	C6	H6	173.7°	170.1°
C8	C7	C6	H6A	66.5°	69.7°
C8	C7	H7	H7A	120.5°	120.8°
C7	C8	C9	H9	0.1°	1.5°
C8	C9	N10	H9	180.0°	179.8°
C8	C9	N10	C11	177.2°	179.4°
C9	C8	C7	H7	82.8°	77.7°
C9	C8	C7	H7A	37.6°	43.2°
C9	N10	C11	C12	66.9°	0.1°
C9	N10	C11	C17	115.2°	179.8°
N10	C11	C12	C17	177.8°	179.7°
N10	C11	C12	C13	177.7°	180.0°
N10	C11	C17	C16	177.5°	179.7°
C11	N10	C9	H9	2.8°	0.4°
N10	C11	C12	H12	2.3°	0.0°
N10	C11	C17	H17	2.5°	0.1°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C12	C11	C17	C16	0.3°	0.6°
C11	C12	C13	H13	179.6°	180.0°
C12	C11	C17	H17	179.7°	179.8°
C17	C11	C12	C13	0.1°	0.3°
C11	C17	C16	C14	0.0°	0.6°
C11	C17	C16	H17	180.0°	179.6°
C17	C11	C12	H12	179.9°	179.7°
C11	C17	C16	H16	180.0°	179.7°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	BR	179.3°	180.0°
C12	C13	C14	C16	0.8°	0.0°
C13	C14	BR	C16	179.9°	180.0°
C13	C14	C16	C17	0.6°	0.3°
C14	C13	C12	H12	179.6°	180.0°
C13	C14	C16	H16	179.4°	179.9°
BR	C14	C16	C17	179.5°	179.7°
BR	C14	C13	H13	0.7°	0.0°
BR	C14	C16	H16	0.5°	0.0°
C14	C16	C17	H16	180.0°	179.7°
C16	C14	C13	H13	179.2°	180.0°
C14	C16	C17	H17	179.9°	179.8°
H4	C4	C5	H5	40.6°	51.8°
H4	C4	C5	H5A	79.0°	68.2°
H4A	C4	C5	H5	159.9°	172.4°
H4A	C4	C5	H5A	40.3°	52.3°
H5	C5	C6	H6	64.9°	70.9°
H5	C5	C6	H6A	175.2°	168.8°
H5A	C5	C6	H6	54.7°	49.1°
H5A	C5	C6	H6A	65.2°	71.1°
H6	C6	C7	H7	53.8°	50.5°
H6	C6	C7	H7A	66.5°	70.3°
H6A	C6	C7	H7	173.7°	170.7°
H6A	C6	C7	H7A	53.4°	49.9°
H12	C12	C13	H13	0.4°	0.0°
H16	C16	C17	H17	0.0°	0.1°

Release date:	2013-12-18
Definition date:	2013-12-05
Last modified:	2013-12-13
Release status:	REL
Processing site:	EBI
Derived from:	4CHZ