BPW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C9	sing	1.47Å	1.46Å
C9	C11	sing	1.53Å	1.54Å
C11	C10	sing	1.53Å	1.54Å
C8	C5	doub	1.38Å	1.40Å	Aromatic
C8	C3	sing	1.38Å	1.40Å	Aromatic
C5	C1	sing	1.38Å	1.40Å	Aromatic
C10	C3	sing	1.51Å	1.54Å
C3	C7	doub	1.38Å	1.40Å	Aromatic
CL2	C1	sing	1.74Å	1.73Å
C1	C4	doub	1.38Å	1.40Å	Aromatic
C7	C4	sing	1.38Å	1.40Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
N6	H11	sing	1.01Å	1.00Å
N6	H12	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C9	C11	111.8°	109.5°
N6	C9	H9	108.9°	109.5°
N6	C9	H10	108.9°	109.5°
C9	N6	H11	109.5°	111.0°
C9	N6	H12	109.5°	110.9°
C9	C11	C10	111.6°	109.5°
C9	C11	H7	109.0°	109.5°
C9	C11	H8	108.9°	109.5°
C11	C9	H9	108.9°	109.4°
C11	C9	H10	108.9°	109.5°
C11	C10	C3	112.0°	109.5°
C11	C10	H5	108.9°	109.5°
C11	C10	H6	108.8°	109.5°
C10	C11	H7	108.9°	109.4°
C10	C11	H8	108.9°	109.4°
C5	C8	C3	119.9°	120.0°
C8	C5	C1	120.0°	120.0°
C8	C5	H2	120.0°	120.0°
C5	C8	H4	120.0°	120.0°
C8	C3	C10	120.0°	120.0°
C8	C3	C7	120.0°	120.0°
C3	C8	H4	120.1°	120.0°
C5	C1	CL2	119.5°	120.0°
C5	C1	C4	120.3°	120.0°
C1	C5	H2	120.0°	120.0°
C10	C3	C7	120.0°	120.0°
C3	C10	H5	108.8°	109.5°
C3	C10	H6	108.8°	109.5°
C3	C7	C4	120.2°	120.0°
C3	C7	H3	119.9°	120.0°
CL2	C1	C4	120.2°	120.0°
C1	C4	C7	119.7°	120.0°
C1	C4	H1	120.2°	120.0°
C7	C4	H1	120.2°	120.0°
C4	C7	H3	119.9°	120.0°
H5	C10	H6	109.5°	109.4°
H7	C11	H8	109.5°	109.5°
H9	C9	H10	109.5°	109.5°
H11	N6	H12	109.4°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C9	C11	H9	120.3°	120.0°
N6	C9	C11	H10	120.3°	120.0°
N6	C9	C11	C10	170.9°	180.0°
N6	C9	C11	H7	68.8°	60.0°
N6	C9	C11	H8	50.5°	60.0°
N6	C9	H9	H10	119.0°	120.1°
C9	N6	H11	H12	120.0°	124.0°
C9	C11	C10	H7	120.3°	120.0°
C9	C11	C10	H8	120.3°	120.0°
C9	C11	C10	C3	120.6°	180.0°
C9	C11	C10	H5	0.3°	60.0°
C9	C11	C10	H6	119.0°	59.9°
C9	C11	H7	H8	119.0°	120.0°
C11	C9	H9	H10	118.9°	120.0°
C11	C9	N6	H11	180.0°	56.0°
C11	C9	N6	H12	60.0°	180.0°
C11	C10	C3	C8	66.0°	90.0°
C11	C10	C3	H5	120.4°	120.0°
C11	C10	C3	H6	120.4°	120.0°
C11	C10	C3	C7	114.0°	89.7°
C11	C10	H5	H6	118.9°	120.0°
C10	C11	H7	H8	119.0°	119.9°
C10	C11	C9	H9	50.5°	60.0°
C10	C11	C9	H10	68.8°	60.0°
C5	C8	C3	H4	180.0°	179.7°
C8	C5	C1	H2	180.0°	180.0°
C5	C8	C3	C10	179.8°	180.0°
C5	C8	C3	C7	0.2°	0.3°
C8	C5	C1	CL2	179.7°	179.9°
C8	C5	C1	C4	0.4°	0.0°
C3	C8	C5	C1	0.4°	0.3°
C8	C3	C10	C7	180.0°	179.7°
C8	C3	C7	C4	0.1°	0.0°
C3	C8	C5	H2	179.6°	179.7°
C8	C3	C7	H3	180.0°	180.0°
C8	C3	C10	H5	173.6°	150.0°
C8	C3	C10	H6	54.3°	30.1°
C5	C1	CL2	C4	179.3°	179.9°
C5	C1	C4	C7	0.3°	0.2°
C5	C1	C4	H1	179.7°	180.0°
C1	C5	C8	H4	179.6°	180.0°
C10	C3	C7	C4	180.0°	179.7°
C10	C3	C7	H3	0.0°	0.3°
C10	C3	C8	H4	0.1°	0.4°
C3	C10	H5	H6	118.8°	120.0°
C3	C10	C11	H7	119.0°	60.0°
C3	C10	C11	H8	0.3°	60.0°
C3	C7	C4	C1	0.1°	0.2°
C3	C7	C4	H3	180.0°	180.0°
C3	C7	C4	H1	179.9°	180.0°
C7	C3	C8	H4	179.8°	180.0°
C7	C3	C10	H5	6.4°	30.3°
C7	C3	C10	H6	125.6°	150.3°
CL2	C1	C4	C7	179.6°	179.7°
CL2	C1	C4	H1	0.4°	0.1°
CL2	C1	C5	H2	0.2°	0.0°
C1	C4	C7	H1	180.0°	179.8°
C4	C1	C5	H2	179.5°	180.0°
C1	C4	C7	H3	179.9°	179.8°
H1	C4	C7	H3	0.1°	0.0°
H2	C5	C8	H4	0.4°	0.0°
H5	C10	C11	H7	120.6°	180.0°
H5	C10	C11	H8	120.0°	60.1°
H6	C10	C11	H7	1.3°	60.1°
H6	C10	C11	H8	120.7°	180.0°
H7	C11	C9	H9	170.8°	180.0°
H7	C11	C9	H10	51.5°	60.0°
H8	C11	C9	H9	69.8°	60.0°
H8	C11	C9	H10	170.9°	180.0°
H9	C9	N6	H11	59.6°	63.9°
H9	C9	N6	H12	60.3°	60.1°
H10	C9	N6	H11	59.7°	176.0°
H10	C9	N6	H12	179.7°	60.0°

Release date:	2019-02-06
Definition date:	2017-10-12
Last modified:	2019-02-01
Release status:	REL
Processing site:	EBI
Derived from:	6EPO