7MX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C13	sing	1.74Å	1.75Å
C12	C13	doub	1.36Å	1.48Å
C12	C10	sing	1.41Å	1.51Å
C13	C06	sing	1.42Å	1.48Å
O11	C10	doub	1.22Å	1.21Å
C10	N08	sing	1.35Å	1.46Å
O05	C04	doub	1.22Å	1.21Å
C06	C04	sing	1.47Å	1.52Å
C06	C07	doub	1.38Å	1.51Å
C04	O03	sing	1.35Å	1.40Å
N08	C07	sing	1.35Å	1.46Å
N08	C09	sing	1.46Å	1.42Å
C02	O03	sing	1.45Å	1.41Å
C02	C01	sing	1.53Å	1.50Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C07	H6	sing	1.08Å	1.08Å
C09	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C13	C12	119.0°	120.5°
CL	C13	C06	121.3°	120.5°
C13	C12	C10	120.0°	119.5°
C12	C13	C06	119.7°	119.0°
C13	C12	H10	120.0°	120.3°
C12	C10	O11	120.3°	119.8°
C12	C10	N08	119.8°	120.5°
C10	C12	H10	120.0°	120.2°
C13	C06	C04	122.7°	120.3°
C13	C06	C07	119.6°	119.4°
O11	C10	N08	119.9°	119.7°
C10	N08	C07	120.7°	121.1°
C10	N08	C09	120.0°	119.4°
O05	C04	C06	122.5°	120.0°
O05	C04	O03	117.6°	120.0°
C04	C06	C07	117.6°	120.3°
C06	C04	O03	119.9°	120.0°
C06	C07	N08	120.2°	120.5°
C06	C07	H6	119.9°	119.8°
C04	O03	C02	113.7°	117.0°
C07	N08	C09	119.3°	119.5°
N08	C07	H6	119.9°	119.7°
N08	C09	H7	109.5°	109.4°
N08	C09	H8	109.4°	109.5°
N08	C09	H9	109.5°	109.5°
O03	C02	C01	107.3°	109.5°
O03	C02	H4	110.0°	109.5°
O03	C02	H5	110.0°	109.4°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.4°	109.5°
C01	C02	H4	110.0°	109.5°
C01	C02	H5	110.0°	109.4°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.4°
H4	C02	H5	109.5°	109.4°
H7	C09	H8	109.5°	109.5°
H7	C09	H9	109.4°	109.5°
H8	C09	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C13	C12	C06	179.6°	179.7°
CL	C13	C12	C10	179.9°	180.0°
CL	C13	C06	C04	0.9°	0.2°
CL	C13	C06	C07	180.0°	180.0°
CL	C13	C12	H10	0.1°	0.3°
C13	C12	C10	H10	180.0°	179.7°
C13	C12	C10	O11	179.9°	179.8°
C13	C12	C10	N08	0.3°	0.1°
C12	C13	C06	C04	179.5°	179.9°
C12	C13	C06	C07	0.4°	0.4°
C10	C12	C13	C06	0.3°	0.3°
C12	C10	O11	N08	179.8°	179.8°
C12	C10	N08	C07	0.4°	0.1°
C12	C10	N08	C09	179.8°	180.0°
C13	C06	C04	O05	11.5°	179.8°
C13	C06	C04	C07	179.1°	179.8°
C13	C06	C04	O03	169.3°	0.3°
C13	C06	C07	N08	0.6°	0.2°
C13	C06	C07	H6	179.4°	179.8°
C06	C13	C12	H10	179.7°	180.0°
O11	C10	N08	C07	179.8°	179.9°
O11	C10	N08	C09	0.4°	0.1°
O11	C10	C12	H10	0.1°	0.1°
C10	N08	C07	C06	0.5°	0.1°
C10	N08	C07	C09	179.4°	179.9°
C10	N08	C07	H6	179.4°	180.0°
C10	N08	C09	H7	180.0°	90.0°
C10	N08	C09	H8	60.0°	30.0°
C10	N08	C09	H9	60.0°	150.0°
N08	C10	C12	H10	179.7°	179.8°
O05	C04	C06	O03	179.2°	180.0°
O05	C04	C06	C07	167.6°	0.0°
O05	C04	O03	C02	21.5°	0.0°
C04	C06	C07	N08	179.7°	180.0°
C06	C04	O03	C02	157.7°	180.0°
C04	C06	C07	H6	0.3°	0.0°
C07	C06	C04	O03	11.6°	180.0°
C06	C07	N08	H6	180.0°	180.0°
C06	C07	N08	C09	179.9°	180.0°
C04	O03	C02	C01	173.3°	179.9°
C04	O03	C02	H4	67.1°	60.0°
C04	O03	C02	H5	53.6°	60.0°
C07	N08	C09	H7	0.7°	90.0°
C07	N08	C09	H8	119.4°	150.0°
C07	N08	C09	H9	120.6°	30.0°
C09	N08	C07	H6	0.1°	0.0°
N08	C09	H7	H8	120.0°	120.0°
N08	C09	H7	H9	120.0°	120.0°
N08	C09	H8	H9	120.0°	120.0°
O03	C02	C01	H4	119.7°	120.1°
O03	C02	C01	H5	119.6°	120.0°
O03	C02	C01	H1	180.0°	180.0°
O03	C02	C01	H2	60.0°	60.0°
O03	C02	C01	H3	60.0°	59.9°
O03	C02	H4	H5	121.0°	119.9°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	119.9°
C01	C02	H4	H5	121.0°	120.0°
H1	C01	H2	H3	120.0°	120.1°
H1	C01	C02	H4	60.3°	60.0°
H1	C01	C02	H5	60.4°	60.0°
H2	C01	C02	H4	179.7°	60.1°
H2	C01	C02	H5	59.6°	179.9°
H3	C01	C02	H4	59.7°	180.0°
H3	C01	C02	H5	179.6°	60.0°
H7	C09	H8	H9	120.0°	120.0°

Release date:	2017-04-12
Definition date:	2016-11-21
Last modified:	2017-04-07
Release status:	REL
Processing site:	EBI
Derived from:	5MGJ