7MK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C8	sing	1.53Å	1.53Å
C10	C11	sing	1.52Å	1.53Å
N1	C11	sing	1.47Å	1.49Å
C8	C5	sing	1.51Å	1.51Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	C2	sing	1.38Å	1.38Å	Aromatic
C11	C9	sing	1.51Å	1.58Å
C5	C4	sing	1.37Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
O2	C9	sing	1.43Å	1.39Å
C9	O1	sing	1.43Å	1.41Å
C9	C7	sing	1.53Å	1.52Å
C4	C1	doub	1.38Å	1.39Å	Aromatic
C4	C7	sing	1.51Å	1.51Å
C3	C1	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H6	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
N1	H15	sing	1.01Å	1.00Å
N1	H16	sing	1.01Å	1.00Å
O1	H12	sing	0.97Å	0.95Å
O2	H13	sing	0.97Å	0.95Å
H14	N1	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C10	C11	113.6°	110.9°
C10	C8	C5	112.6°	108.4°
C8	C10	H9	108.4°	109.2°
C8	C10	H10	108.4°	109.2°
C10	C8	H8	108.6°	109.7°
C10	C8	H7	108.7°	109.7°
C10	C11	N1	110.4°	108.5°
C10	C11	C9	116.6°	114.5°
C11	C10	H9	108.4°	109.2°
C11	C10	H10	108.4°	109.2°
C10	C11	H11	107.1°	108.5°
N1	C11	C9	108.4°	108.5°
N1	C11	H11	107.5°	108.2°
C11	N1	H15	109.5°	109.5°
C11	N1	H16	109.5°	109.5°
C11	N1	H14	109.4°	109.5°
C8	C5	C6	120.6°	119.5°
C8	C5	C4	120.0°	120.2°
C5	C8	H8	108.7°	109.7°
C5	C8	H7	108.7°	109.6°
C5	C6	C2	121.0°	119.6°
C6	C5	C4	119.4°	120.3°
C5	C6	H4	119.5°	120.2°
C6	C2	C3	119.7°	120.1°
C6	C2	H2	120.1°	119.9°
C2	C6	H4	119.5°	120.2°
C11	C9	O2	106.1°	109.2°
C11	C9	O1	106.9°	109.2°
C11	C9	C7	116.2°	110.9°
C9	C11	H11	106.5°	108.5°
C5	C4	C1	119.2°	120.3°
C5	C4	C7	120.1°	120.1°
C2	C3	C1	119.9°	120.0°
C3	C2	H2	120.2°	120.0°
C2	C3	H3	120.1°	120.0°
O2	C9	O1	102.0°	109.2°
O2	C9	C7	113.5°	109.1°
C9	O2	H13	109.5°	114.0°
O1	C9	C7	110.9°	109.2°
C9	O1	H12	109.5°	114.0°
C9	C7	C4	115.8°	108.5°
C9	C7	H6	107.9°	109.6°
C9	C7	H5	107.9°	109.8°
C1	C4	C7	120.7°	119.5°
C4	C1	C3	120.9°	119.6°
C4	C1	H1	119.5°	120.2°
C4	C7	H6	107.9°	109.7°
C4	C7	H5	107.9°	109.6°
C3	C1	H1	119.5°	120.2°
C1	C3	H3	120.1°	120.0°
H9	C10	H10	109.5°	109.1°
H6	C7	H5	109.4°	109.6°
H8	C8	H7	109.5°	109.8°
H15	N1	H16	109.5°	109.5°
H15	N1	H14	109.5°	109.5°
H16	N1	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C10	C11	H9	120.6°	120.4°
C8	C10	C11	H10	120.6°	120.4°
C8	C10	C11	N1	178.1°	170.5°
C10	C8	C5	H8	120.4°	119.7°
C10	C8	C5	H7	120.5°	119.7°
C10	C8	C5	C6	109.1°	109.3°
C8	C10	C11	C9	57.6°	68.1°
C10	C8	C5	C4	68.0°	70.7°
C8	C10	H9	H10	118.1°	119.3°
C8	C10	C11	H11	61.3°	53.2°
C10	C8	H8	H7	118.5°	120.5°
C10	C11	N1	C9	128.8°	124.9°
C10	C11	N1	H11	116.5°	117.5°
C11	C10	C8	C5	84.9°	85.6°
C10	C11	C9	H11	119.3°	121.3°
C10	C11	C9	O2	76.0°	52.2°
C10	C11	C9	O1	175.7°	171.5°
C10	C11	C9	C7	51.2°	68.1°
C11	C10	H9	H10	118.1°	119.2°
C11	C10	C8	H8	35.6°	34.1°
C11	C10	C8	H7	154.6°	154.7°
C10	C11	N1	H15	180.0°	60.0°
C10	C11	N1	H16	60.0°	180.0°
C10	C11	N1	H14	60.0°	60.0°
N1	C11	C9	H11	115.4°	117.4°
N1	C11	C9	O2	49.3°	69.1°
N1	C11	C9	O1	59.1°	50.2°
N1	C11	C9	C7	176.5°	170.6°
N1	C11	C10	H9	61.3°	50.2°
N1	C11	C10	H10	57.4°	69.1°
C11	N1	H15	H16	120.0°	120.1°
C11	N1	H15	H14	120.0°	120.0°
C11	N1	H16	H14	119.9°	120.0°
C8	C5	C6	C4	177.2°	180.0°
C8	C5	C6	C2	175.7°	179.7°
C8	C5	C4	C1	176.7°	180.0°
C8	C5	C4	C7	3.4°	0.0°
C5	C8	C10	H9	35.7°	154.1°
C5	C8	C10	H10	154.5°	34.8°
C8	C5	C6	H4	4.3°	0.0°
C5	C8	H8	H7	118.6°	120.5°
C5	C6	C2	H4	180.0°	179.7°
C5	C6	C2	C3	1.4°	0.2°
C6	C5	C4	C1	0.5°	0.0°
C6	C5	C4	C7	179.4°	180.0°
C5	C6	C2	H2	178.6°	179.7°
C6	C5	C8	H8	130.4°	130.9°
C6	C5	C8	H7	11.4°	10.4°
C2	C6	C5	C4	1.5°	0.2°
C6	C2	C3	H2	180.0°	179.9°
C6	C2	C3	C1	0.2°	0.1°
C6	C2	C3	H3	179.8°	180.0°
C11	C9	O2	O1	111.8°	119.3°
C11	C9	O2	C7	128.9°	121.4°
C11	C9	O1	C7	127.6°	121.5°
C11	C9	C7	C4	73.5°	85.6°
C9	C11	C10	H9	62.9°	171.5°
C9	C11	C10	H10	178.3°	52.2°
C11	C9	C7	H6	165.6°	34.2°
C11	C9	C7	H5	47.5°	154.6°
C9	C11	N1	H15	51.2°	175.1°
C9	C11	N1	H16	68.8°	55.1°
C11	C9	O1	H12	180.0°	179.9°
C11	C9	O2	H13	180.0°	180.0°
C9	C11	N1	H14	171.2°	64.9°
C5	C4	C7	C9	68.7°	70.7°
C5	C4	C1	C7	179.9°	180.0°
C5	C4	C1	C3	0.6°	0.3°
C5	C4	C1	H1	179.4°	180.0°
C4	C5	C6	H4	178.5°	180.0°
C5	C4	C7	H6	170.4°	49.0°
C5	C4	C7	H5	52.3°	169.4°
C4	C5	C8	H8	52.4°	49.0°
C4	C5	C8	H7	171.5°	169.6°
C2	C3	C1	C4	0.8°	0.3°
C2	C3	C1	H3	180.0°	179.9°
C2	C3	C1	H1	179.2°	179.9°
C3	C2	C6	H4	178.6°	179.9°
O2	C9	O1	C7	121.2°	119.2°
O2	C9	C7	C4	50.0°	34.8°
O2	C9	C11	H11	164.7°	173.5°
O2	C9	C7	H6	70.9°	154.5°
O2	C9	C7	H5	170.9°	85.0°
O2	C9	O1	H12	68.9°	60.6°
O1	C9	C7	C4	164.1°	154.0°
O1	C9	C11	H11	56.4°	67.2°
O1	C9	C7	H6	43.2°	86.3°
O1	C9	C7	H5	74.9°	34.2°
O1	C9	O2	H13	68.2°	60.6°
C9	C7	C4	C1	111.5°	109.3°
C9	C7	C4	H6	120.9°	119.7°
C9	C7	C4	H5	120.9°	119.9°
C7	C9	C11	H11	68.1°	53.2°
C9	C7	H6	H5	117.1°	120.6°
C7	C9	O1	H12	52.3°	58.6°
C7	C9	O2	H13	51.1°	58.6°
C4	C1	C3	H1	180.0°	179.7°
C4	C1	C3	H3	179.2°	179.8°
C1	C4	C7	H6	9.5°	131.0°
C1	C4	C7	H5	127.6°	10.6°
C7	C4	C1	C3	179.5°	179.7°
C7	C4	C1	H1	0.5°	0.1°
C4	C7	H6	H5	117.1°	120.4°
C1	C3	C2	H2	179.8°	180.0°
H1	C1	C3	H3	0.8°	0.1°
H9	C10	C11	H11	178.1°	67.2°
H9	C10	C8	H8	156.2°	86.2°
H9	C10	C8	H7	84.8°	34.4°
H10	C10	C11	H11	59.3°	173.6°
H10	C10	C8	H8	85.0°	154.5°
H10	C10	C8	H7	34.0°	84.9°
H11	C11	N1	H15	63.5°	57.6°
H11	C11	N1	H16	176.5°	62.5°
H11	C11	N1	H14	56.5°	177.6°
H2	C2	C3	H3	0.2°	0.1°
H2	C2	C6	H4	1.4°	0.0°
H15	N1	H16	H14	120.0°	120.0°

Release date:	2017-04-19
Definition date:	2016-11-21
Last modified:	2017-04-14
Release status:	REL
Processing site:	EBI
Derived from:	5MFR