1X2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C15	doub	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C15	C10	sing	1.38Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C09	sing	1.51Å	1.52Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.41Å	Aromatic
C09	C08	sing	1.53Å	1.56Å
C08	C07	sing	1.53Å	1.59Å
C07	C06	sing	1.53Å	1.51Å
C06	C05	sing	1.53Å	1.53Å
C05	C04	sing	1.53Å	1.51Å
C04	N03	sing	1.47Å	1.45Å
S01	C02	doub	1.55Å	1.70Å
N03	C02	doub	1.25Å	1.42Å
C11	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C06	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C07	H14	sing	1.09Å	1.10Å
C07	H15	sing	1.09Å	1.10Å
C08	H16	sing	1.09Å	1.10Å
C08	H17	sing	1.09Å	1.10Å
C09	H18	sing	1.09Å	1.10Å
C09	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	C13	119.9°	120.0°
C14	C15	C10	119.5°	120.0°
C15	C14	H4	120.1°	120.0°
C14	C15	H5	120.2°	120.0°
C14	C13	C12	120.1°	120.0°
C14	C13	H3	120.0°	120.0°
C13	C14	H4	120.0°	120.0°
C15	C10	C09	119.5°	120.0°
C15	C10	C11	120.9°	120.0°
C10	C15	H5	120.3°	120.0°
C13	C12	C11	120.2°	120.1°
C13	C12	H2	119.9°	120.0°
C12	C13	H3	119.9°	120.0°
C09	C10	C11	119.5°	120.0°
C10	C09	C08	111.3°	109.5°
C10	C09	H18	109.0°	109.5°
C10	C09	H19	109.0°	109.5°
C10	C11	C12	119.4°	120.0°
C10	C11	H1	120.3°	120.0°
C12	C11	H1	120.3°	120.0°
C11	C12	H2	119.9°	119.9°
C09	C08	C07	109.8°	109.5°
C09	C08	H16	109.4°	109.5°
C09	C08	H17	109.4°	109.5°
C08	C09	H18	109.0°	109.5°
C08	C09	H19	109.0°	109.5°
C08	C07	C06	109.7°	109.5°
C08	C07	H14	109.4°	109.4°
C08	C07	H15	109.4°	109.4°
C07	C08	H16	109.4°	109.5°
C07	C08	H17	109.4°	109.5°
C07	C06	C05	109.4°	109.5°
C07	C06	H12	109.5°	109.5°
C07	C06	H13	109.5°	109.5°
C06	C07	H14	109.4°	109.5°
C06	C07	H15	109.4°	109.5°
C06	C05	C04	112.5°	109.5°
C06	C05	H10	108.7°	109.5°
C06	C05	H11	108.7°	109.5°
C05	C06	H12	109.5°	109.5°
C05	C06	H13	109.5°	109.4°
C05	C04	N03	106.2°	109.5°
C05	C04	H8	110.3°	109.5°
C05	C04	H9	110.3°	109.4°
C04	C05	H10	108.7°	109.4°
C04	C05	H11	108.7°	109.5°
C04	N03	C02	116.2°	120.0°
N03	C04	H8	110.3°	109.5°
N03	C04	H9	110.3°	109.5°
S01	C02	N03	120.3°	180.0°
H8	C04	H9	109.5°	109.5°
H10	C05	H11	109.5°	109.5°
H12	C06	H13	109.5°	109.5°
H14	C07	H15	109.4°	109.4°
H16	C08	H17	109.5°	109.4°
H18	C09	H19	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	C13	H4	180.0°	179.4°
C14	C15	C10	H5	180.0°	179.3°
C15	C14	C13	C12	0.2°	0.3°
C14	C15	C10	C09	179.7°	179.7°
C14	C15	C10	C11	0.2°	0.7°
C15	C14	C13	H3	179.8°	179.7°
C13	C14	C15	C10	0.3°	0.6°
C14	C13	C12	H3	180.0°	180.0°
C14	C13	C12	C11	0.2°	0.0°
C14	C13	C12	H2	179.8°	180.0°
C13	C14	C15	H5	179.8°	179.9°
C15	C10	C09	C11	179.9°	179.7°
C15	C10	C11	C12	0.1°	0.4°
C15	C10	C09	C08	69.2°	90.3°
C15	C10	C11	H1	179.9°	179.7°
C10	C15	C14	H4	179.7°	179.9°
C15	C10	C09	H18	170.6°	29.7°
C15	C10	C09	H19	51.1°	149.7°
C13	C12	C11	C10	0.1°	0.0°
C13	C12	C11	H2	180.0°	180.0°
C13	C12	C11	H1	179.9°	180.0°
C12	C13	C14	H4	179.8°	179.7°
C09	C10	C11	C12	179.8°	180.0°
C10	C09	C08	H18	120.3°	120.1°
C10	C09	C08	H19	120.2°	120.0°
C10	C09	C08	C07	174.9°	180.0°
C09	C10	C11	H1	0.2°	0.0°
C09	C10	C15	H5	0.3°	0.4°
C10	C09	C08	H16	54.9°	60.0°
C10	C09	C08	H17	65.0°	59.9°
C10	C09	H18	H19	119.2°	120.0°
C10	C11	C12	H1	180.0°	179.9°
C11	C10	C09	C08	110.9°	90.0°
C10	C11	C12	H2	179.9°	180.0°
C11	C10	C15	H5	179.8°	180.0°
C11	C10	C09	H18	9.4°	150.0°
C11	C10	C09	H19	128.9°	30.0°
C11	C12	C13	H3	179.8°	180.0°
C09	C08	C07	H16	120.0°	120.0°
C09	C08	C07	H17	120.0°	120.0°
C09	C08	C07	C06	169.7°	180.0°
C09	C08	C07	H14	49.6°	59.9°
C09	C08	C07	H15	70.2°	60.0°
C09	C08	H16	H17	119.8°	119.9°
C08	C09	H18	H19	119.2°	120.0°
C08	C07	C06	H14	120.1°	120.0°
C08	C07	C06	H15	120.1°	120.0°
C08	C07	C06	C05	78.4°	180.0°
C08	C07	C06	H12	161.6°	60.0°
C08	C07	C06	H13	41.6°	60.0°
C08	C07	H14	H15	119.9°	119.9°
C07	C08	H16	H17	119.9°	120.0°
C07	C08	C09	H18	64.8°	59.9°
C07	C08	C09	H19	54.7°	60.0°
C07	C06	C05	H12	120.0°	120.0°
C07	C06	C05	H13	120.0°	120.0°
C07	C06	C05	C04	179.1°	180.0°
C07	C06	C05	H10	60.5°	60.0°
C07	C06	C05	H11	58.6°	60.0°
C07	C06	H12	H13	120.0°	120.0°
C06	C07	H14	H15	119.9°	120.1°
C06	C07	C08	H16	70.3°	60.0°
C06	C07	C08	H17	49.7°	60.0°
C06	C05	C04	H10	120.5°	120.0°
C06	C05	C04	H11	120.5°	120.0°
C06	C05	C04	N03	158.7°	180.0°
C06	C05	C04	H8	39.2°	60.0°
C06	C05	C04	H9	81.8°	60.0°
C06	C05	H10	H11	118.6°	120.0°
C05	C06	H12	H13	120.0°	120.0°
C05	C06	C07	H14	41.7°	60.0°
C05	C06	C07	H15	161.6°	60.0°
C05	C04	N03	H8	119.5°	120.0°
C05	C04	N03	H9	119.5°	119.9°
C05	C04	N03	C02	114.0°	120.0°
C05	C04	H8	H9	121.5°	120.0°
C04	C05	H10	H11	118.6°	120.0°
C04	C05	C06	H12	59.1°	60.0°
C04	C05	C06	H13	60.9°	60.0°
C04	N03	C02	S01	6.9°	81.0°
N03	C04	H8	H9	121.5°	120.0°
N03	C04	C05	H10	80.8°	60.0°
N03	C04	C05	H11	38.2°	60.0°
C02	N03	C04	H8	126.5°	120.0°
C02	N03	C04	H9	5.5°	0.0°
H1	C11	C12	H2	0.1°	0.1°
H2	C12	C13	H3	0.2°	0.0°
H3	C13	C14	H4	0.2°	0.2°
H4	C14	C15	H5	0.2°	0.6°
H8	C04	C05	H10	159.7°	180.0°
H8	C04	C05	H11	81.2°	60.0°
H9	C04	C05	H10	38.7°	59.9°
H9	C04	C05	H11	157.7°	179.9°
H10	C05	C06	H12	179.6°	180.0°
H10	C05	C06	H13	59.5°	60.0°
H11	C05	C06	H12	61.4°	60.0°
H11	C05	C06	H13	178.6°	180.0°
H12	C06	C07	H14	78.3°	180.0°
H12	C06	C07	H15	41.6°	60.0°
H13	C06	C07	H14	161.7°	60.0°
H13	C06	C07	H15	78.4°	180.0°
H14	C07	C08	H16	169.7°	180.0°
H14	C07	C08	H17	70.4°	60.1°
H15	C07	C08	H16	49.8°	60.1°
H15	C07	C08	H17	169.7°	180.0°
H16	C08	C09	H18	175.1°	60.1°
H16	C08	C09	H19	65.4°	NaN°
H17	C08	C09	H18	55.2°	180.0°
H17	C08	C09	H19	174.7°	60.1°

Release date:	2014-03-05
Definition date:	2014-02-25
Last modified:	2014-09-05
Release status:	REL
Processing site:	RCSB
Derived from:	4OYQ