76C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N07	C03	sing	1.38Å	1.39Å
N04	C03	doub	1.33Å	1.35Å	Aromatic
N04	C05	sing	1.33Å	1.34Å	Aromatic
N08	C05	sing	1.38Å	1.38Å
C03	C02	sing	1.41Å	1.39Å	Aromatic
C05	N06	doub	1.33Å	1.35Å	Aromatic
C02	C10	sing	1.43Å	1.43Å
C02	C01	doub	1.41Å	1.40Å	Aromatic
N06	C01	sing	1.33Å	1.35Å	Aromatic
C10	N11	trip	1.14Å	1.16Å
C01	N09	sing	1.38Å	1.40Å
N28	C29	doub	1.32Å	1.35Å	Aromatic
N28	C27	sing	1.32Å	1.35Å	Aromatic
C29	C30	sing	1.38Å	1.38Å	Aromatic
N09	C12	sing	1.46Å	1.46Å
F33	C30	sing	1.35Å	1.34Å
C27	C26	doub	1.39Å	1.39Å	Aromatic
C30	C31	doub	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.53Å	1.52Å
C12	C14	sing	1.51Å	1.54Å
C26	C31	sing	1.39Å	1.41Å	Aromatic
C26	N15	sing	1.40Å	1.43Å
C31	C32	sing	1.51Å	1.50Å
C14	N15	sing	1.36Å	1.39Å
C14	N19	doub	1.30Å	1.30Å
N15	C16	sing	1.35Å	1.41Å
N19	C18	sing	1.36Å	1.40Å
C16	O25	doub	1.22Å	1.23Å
C16	C17	sing	1.47Å	1.49Å
C18	C17	doub	1.41Å	1.40Å	Aromatic
C18	C23	sing	1.40Å	1.40Å	Aromatic
C17	C20	sing	1.39Å	1.41Å	Aromatic
C23	C22	doub	1.38Å	1.39Å	Aromatic
C20	CL2	sing	1.74Å	1.73Å
C20	C21	doub	1.38Å	1.40Å	Aromatic
C22	C21	sing	1.39Å	1.39Å	Aromatic
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
N07	H6	sing	0.97Å	1.00Å
N07	H7	sing	0.97Å	1.00Å
N08	H8	sing	0.97Å	1.00Å
N08	H9	sing	0.97Å	1.00Å
N09	H10	sing	0.97Å	1.00Å
C12	H11	sing	1.09Å	1.10Å
C23	H12	sing	1.08Å	1.08Å
C27	H13	sing	1.08Å	1.08Å
C29	H14	sing	1.08Å	1.08Å
C32	H15	sing	1.09Å	1.10Å
C32	H16	sing	1.09Å	1.10Å
C32	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N07	C03	N04	117.2°	120.5°
N07	C03	C02	121.5°	120.6°
C03	N07	H6	109.5°	120.0°
C03	N07	H7	109.5°	120.0°
C03	N04	C05	118.3°	121.0°
N04	C03	C02	121.3°	118.9°
N04	C05	N08	118.3°	118.9°
N04	C05	N06	123.6°	122.2°
N08	C05	N06	118.1°	118.9°
C05	N08	H8	109.5°	120.0°
C05	N08	H9	109.5°	120.0°
C03	C02	C10	120.8°	121.0°
C03	C02	C01	117.7°	118.0°
C05	N06	C01	118.9°	121.0°
C10	C02	C01	121.6°	121.0°
C02	C10	N11	179.9°	180.0°
C02	C01	N06	120.3°	118.9°
C02	C01	N09	120.2°	120.5°
N06	C01	N09	119.5°	120.5°
C01	N09	C12	121.2°	120.0°
C01	N09	H10	106.5°	119.9°
C29	N28	C27	116.1°	121.8°
N28	C29	C30	123.6°	120.9°
N28	C29	H14	118.2°	119.5°
N28	C27	C26	124.6°	120.7°
N28	C27	H13	117.7°	119.6°
C29	C30	F33	119.3°	120.4°
C29	C30	C31	119.9°	119.2°
C30	C29	H14	118.2°	119.6°
N09	C12	C13	113.7°	109.5°
N09	C12	C14	109.4°	109.5°
C12	N09	H10	106.5°	120.1°
N09	C12	H11	107.2°	109.5°
F33	C30	C31	120.7°	120.4°
C27	C26	C31	118.1°	119.0°
C27	C26	N15	119.2°	120.5°
C26	C27	H13	117.7°	119.6°
C30	C31	C26	117.6°	118.4°
C30	C31	C32	119.3°	120.8°
C13	C12	C14	113.5°	109.5°
C12	C13	H1	109.5°	109.4°
C12	C13	H2	109.4°	109.4°
C12	C13	H3	109.5°	109.4°
C13	C12	H11	106.4°	109.4°
C12	C14	N15	123.1°	118.4°
C12	C14	N19	114.5°	118.3°
C14	C12	H11	106.2°	109.5°
C31	C26	N15	122.6°	120.5°
C26	C31	C32	123.2°	120.8°
C26	N15	C14	122.7°	119.7°
C26	N15	C16	115.3°	119.8°
C31	C32	H15	109.5°	109.5°
C31	C32	H16	109.5°	109.5°
C31	C32	H17	109.5°	109.5°
N15	C14	N19	122.4°	123.3°
C14	N15	C16	122.0°	120.6°
C14	N19	C18	120.0°	121.6°
N15	C16	O25	122.6°	121.3°
N15	C16	C17	116.3°	117.5°
N19	C18	C17	123.2°	119.0°
N19	C18	C23	116.6°	121.7°
O25	C16	C17	121.1°	121.2°
C16	C17	C18	116.2°	118.0°
C16	C17	C20	125.0°	122.0°
C17	C18	C23	120.2°	119.3°
C18	C17	C20	118.8°	120.0°
C18	C23	C22	120.8°	119.7°
C18	C23	H12	119.6°	120.1°
C17	C20	CL2	125.1°	120.2°
C17	C20	C21	120.1°	119.5°
C23	C22	C21	119.5°	120.8°
C23	C22	H5	120.2°	119.6°
C22	C23	H12	119.6°	120.2°
CL2	C20	C21	114.7°	120.3°
C20	C21	C22	120.6°	120.6°
C20	C21	H4	119.7°	119.7°
C22	C21	H4	119.7°	119.7°
C21	C22	H5	120.2°	119.6°
H1	C13	H2	109.5°	109.5°
H1	C13	H3	109.5°	109.5°
H2	C13	H3	109.5°	109.5°
H6	N07	H7	109.4°	120.0°
H8	N08	H9	109.5°	120.0°
H15	C32	H16	109.5°	109.4°
H15	C32	H17	109.5°	109.5°
H16	C32	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N07	C03	N04	C02	180.0°	180.0°
N07	C03	N04	C05	180.0°	180.0°
N07	C03	C02	C10	0.0°	0.0°
N07	C03	C02	C01	180.0°	179.9°
C03	N07	H6	H7	120.0°	180.0°
C03	N04	C05	N08	180.0°	180.0°
C03	N04	C05	N06	0.1°	0.3°
N04	C03	C02	C10	180.0°	179.9°
N04	C03	C02	C01	0.0°	0.0°
N04	C03	N07	H6	0.0°	179.9°
N04	C03	N07	H7	120.0°	0.1°
N04	C05	N08	N06	179.9°	179.7°
C05	N04	C03	C02	0.0°	0.0°
N04	C05	N06	C01	0.1°	0.7°
N04	C05	N08	H8	0.0°	0.1°
N04	C05	N08	H9	120.0°	180.0°
N08	C05	N06	C01	180.0°	179.7°
C05	N08	H8	H9	120.0°	180.0°
C03	C02	C10	C01	180.0°	179.9°
C03	C02	C01	N06	0.0°	0.3°
C03	C02	C10	N11	26.5°	108.4°
C03	C02	C01	N09	180.0°	180.0°
C02	C03	N07	H6	180.0°	0.0°
C02	C03	N07	H7	60.0°	180.0°
C05	N06	C01	C02	0.1°	0.7°
C05	N06	C01	N09	180.0°	179.7°
N06	C05	N08	H8	179.9°	179.7°
N06	C05	N08	H9	59.9°	0.3°
C10	C02	C01	N06	180.0°	179.8°
C10	C02	C01	N09	0.1°	0.1°
C02	C01	N06	N09	179.9°	179.6°
C01	C02	C10	N11	153.5°	71.7°
C02	C01	N09	C12	172.3°	179.9°
C02	C01	N09	H10	50.7°	0.0°
N06	C01	N09	C12	7.6°	0.3°
N06	C01	N09	H10	129.2°	179.6°
C01	N09	C12	H10	121.6°	180.0°
C01	N09	C12	C13	142.3°	85.0°
C01	N09	C12	C14	89.7°	155.0°
C01	N09	C12	H11	25.0°	35.0°
N28	C29	C30	H14	180.0°	180.0°
N28	C29	C30	F33	180.0°	180.0°
C29	N28	C27	C26	0.1°	0.0°
N28	C29	C30	C31	0.0°	0.1°
C29	N28	C27	H13	179.9°	180.0°
C27	N28	C29	C30	0.1°	0.0°
N28	C27	C26	H13	180.0°	180.0°
N28	C27	C26	C31	0.2°	0.0°
N28	C27	C26	N15	179.9°	179.7°
C27	N28	C29	H14	179.9°	180.0°
C29	C30	F33	C31	180.0°	179.9°
C29	C30	C31	C26	0.1°	0.1°
C29	C30	C31	C32	180.0°	179.8°
N09	C12	C13	C14	125.8°	120.0°
N09	C12	C13	H11	117.7°	120.0°
N09	C12	C14	H11	115.3°	120.0°
N09	C12	C14	N15	149.8°	144.1°
N09	C12	C14	N19	30.4°	35.8°
N09	C12	C13	H1	180.0°	65.2°
N09	C12	C13	H2	60.0°	54.8°
N09	C12	C13	H3	60.0°	174.7°
F33	C30	C31	C26	180.0°	179.9°
F33	C30	C31	C32	0.0°	0.3°
F33	C30	C29	H14	0.0°	0.1°
C27	C26	C31	C30	0.1°	0.0°
C27	C26	C31	N15	179.9°	179.7°
C27	C26	C31	C32	179.9°	179.7°
C27	C26	N15	C14	86.3°	90.9°
C27	C26	N15	C16	93.4°	89.1°
C30	C31	C26	C32	180.0°	179.7°
C30	C31	C26	N15	180.0°	179.7°
C31	C30	C29	H14	180.0°	180.0°
C30	C31	C32	H15	90.0°	90.3°
C30	C31	C32	H16	150.0°	29.7°
C30	C31	C32	H17	30.0°	149.7°
C13	C12	C14	H11	116.5°	119.9°
C13	C12	C14	N15	82.0°	95.9°
C13	C12	C14	N19	97.7°	84.3°
C12	C13	H1	H2	120.0°	120.0°
C12	C13	H1	H3	120.0°	120.0°
C12	C13	H2	H3	120.0°	119.9°
C13	C12	N09	H10	20.6°	95.0°
C12	C14	N15	C26	0.4°	0.0°
C12	C14	N15	N19	179.7°	179.8°
C12	C14	N15	C16	179.9°	180.0°
C12	C14	N19	C18	179.9°	179.9°
C14	C12	C13	H1	54.1°	174.8°
C14	C12	C13	H2	174.2°	65.2°
C14	C12	C13	H3	65.9°	54.7°
C14	C12	N09	H10	148.6°	25.0°
C31	C26	N15	C14	93.8°	89.4°
C31	C26	N15	C16	86.5°	90.6°
C31	C26	C27	H13	179.8°	180.0°
C26	C31	C32	H15	90.0°	90.0°
C26	C31	C32	H16	30.0°	150.0°
C26	C31	C32	H17	150.0°	30.0°
N15	C26	C31	C32	0.0°	0.1°
C26	N15	C14	C16	179.6°	180.0°
C26	N15	C14	N19	179.9°	179.8°
C26	N15	C16	O25	0.3°	0.0°
C26	N15	C16	C17	179.8°	180.0°
N15	C26	C27	H13	0.0°	0.3°
C31	C32	H15	H16	120.0°	120.0°
C31	C32	H15	H17	120.0°	120.0°
C31	C32	H16	H17	120.0°	120.0°
N15	C14	N19	C18	0.2°	0.2°
C14	N15	C16	O25	179.9°	180.0°
C14	N15	C16	C17	0.2°	0.1°
N15	C14	C12	H11	34.5°	24.0°
N19	C14	N15	C16	0.2°	0.2°
C14	N19	C18	C17	0.0°	0.0°
C14	N19	C18	C23	179.9°	179.5°
N19	C14	C12	H11	145.8°	155.8°
N15	C16	O25	C17	179.9°	180.0°
N15	C16	C17	C18	0.0°	0.2°
N15	C16	C17	C20	180.0°	180.0°
N19	C18	C17	C16	0.0°	0.2°
N19	C18	C17	C23	180.0°	179.6°
N19	C18	C17	C20	180.0°	179.9°
N19	C18	C23	C22	179.9°	180.0°
N19	C18	C23	H12	0.1°	0.5°
O25	C16	C17	C18	180.0°	179.8°
O25	C16	C17	C20	0.0°	0.1°
C16	C17	C18	C20	180.0°	179.7°
C16	C17	C18	C23	180.0°	179.8°
C16	C17	C20	CL2	0.0°	0.0°
C16	C17	C20	C21	180.0°	180.0°
C17	C18	C23	C22	0.1°	0.5°
C18	C17	C20	CL2	180.0°	179.7°
C18	C17	C20	C21	0.0°	0.2°
C17	C18	C23	H12	179.9°	179.9°
C23	C18	C17	C20	0.0°	0.5°
C18	C23	C22	H12	180.0°	179.5°
C18	C23	C22	C21	0.2°	0.2°
C18	C23	C22	H5	179.8°	179.7°
C17	C20	CL2	C21	180.0°	180.0°
C17	C20	C21	C22	0.1°	0.0°
C17	C20	C21	H4	179.9°	180.0°
C23	C22	C21	C20	0.2°	0.0°
C23	C22	C21	H5	180.0°	180.0°
C23	C22	C21	H4	179.8°	180.0°
CL2	C20	C21	C22	179.9°	180.0°
CL2	C20	C21	H4	0.1°	0.0°
C20	C21	C22	H4	180.0°	180.0°
C20	C21	C22	H5	179.8°	180.0°
C21	C22	C23	H12	179.8°	179.7°
H1	C13	H2	H3	120.0°	120.1°
H1	C13	C12	H11	62.3°	54.8°
H2	C13	C12	H11	57.7°	174.8°
H3	C13	C12	H11	177.7°	65.2°
H4	C21	C22	H5	0.2°	0.0°
H5	C22	C23	H12	0.2°	0.3°
H10	N09	C12	H11	96.7°	145.0°
H15	C32	H16	H17	120.0°	120.0°

Release date:	2016-12-28
Definition date:	2016-09-07
Last modified:	2016-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5T7F