SNF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C18	sing	1.54Å	1.54Å
C18	N19	sing	1.53Å	1.53Å
C18	C16	sing	1.50Å	1.50Å
C20	N19	doub	1.49Å	1.49Å
C20	C9	sing	1.40Å	1.40Å
N19	NI	sing	2.16Å	2.16Å
C16	N15	sing	1.53Å	1.53Å
C10	C9	doub	1.36Å	1.36Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C9	N8	sing	1.33Å	1.33Å	Aromatic
N15	NI	sing	1.83Å	1.83Å
N15	C14	doub	1.51Å	1.51Å
C11	C12	doub	1.40Å	1.40Å	Aromatic
N8	NI	sing	1.80Å	1.80Å
N8	C7	doub	1.42Å	1.42Å	Aromatic
NI	N2	sing	1.95Å	1.95Å
C14	C1	sing	1.40Å	1.40Å
C12	C7	sing	1.41Å	1.41Å	Aromatic
C1	N2	doub	1.33Å	1.33Å	Aromatic
C1	C6	sing	1.36Å	1.36Å	Aromatic
N2	C3	sing	1.42Å	1.42Å	Aromatic
C6	C5	doub	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.08Å	1.08Å
C18	H7	sing	1.10Å	1.10Å
C21	H8	sing	1.10Å	1.10Å
C21	H9	sing	1.10Å	1.10Å
C21	H10	sing	1.10Å	1.10Å
C16	H11	sing	1.10Å	1.10Å
C16	H12	sing	1.10Å	1.10Å
C14	H13	sing	1.08Å	1.08Å
C3	H15	sing	1.08Å	1.08Å
C4	H16	sing	1.08Å	1.08Å
C5	H17	sing	1.08Å	1.08Å
C6	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C18	N19	123.7°	123.7°
C21	C18	C16	103.9°	103.9°
C21	C18	H7	112.8°	112.8°
C18	C21	H8	109.5°	109.5°
C18	C21	H9	109.5°	109.5°
C18	C21	H10	109.5°	109.5°
N19	C18	C16	86.3°	86.3°
C18	N19	C20	120.2°	120.2°
C18	N19	NI	130.4°	130.4°
N19	C18	H7	112.9°	112.9°
C18	C16	N15	110.5°	110.5°
C16	C18	H7	113.4°	113.4°
C18	C16	H11	109.2°	109.2°
C18	C16	H12	109.2°	109.2°
N19	C20	C9	114.2°	114.2°
C20	N19	NI	97.4°	97.4°
N19	C20	H5	122.9°	122.9°
C20	C9	C10	115.8°	115.8°
C20	C9	N8	125.9°	125.9°
C9	C20	H5	122.9°	122.9°
N19	NI	N15	63.5°	63.5°
N19	NI	N8	90.3°	90.3°
N19	NI	N2	159.5°	159.5°
C16	N15	NI	132.9°	132.9°
C16	N15	C14	123.1°	123.1°
N15	C16	H11	109.2°	109.2°
N15	C16	H12	109.2°	109.2°
C9	C10	C11	122.9°	122.9°
C10	C9	N8	118.2°	118.2°
C9	C10	H1	118.5°	118.5°
C10	C11	C12	120.4°	120.4°
C11	C10	H1	118.6°	118.6°
C10	C11	H2	119.8°	119.8°
C9	N8	NI	106.0°	106.0°
C9	N8	C7	121.9°	121.9°
NI	N15	C14	97.9°	97.9°
N15	NI	N8	152.9°	152.9°
N15	NI	N2	96.1°	96.1°
N15	C14	C1	117.2°	117.2°
N15	C14	H13	121.4°	121.4°
C11	C12	C7	116.4°	116.4°
C12	C11	H2	119.8°	119.8°
C11	C12	H3	121.8°	121.8°
NI	N8	C7	125.9°	125.9°
N8	NI	N2	109.7°	109.7°
N8	C7	C12	120.2°	120.2°
N8	C7	H4	119.9°	119.9°
NI	N2	C1	97.6°	97.6°
NI	N2	C3	133.9°	133.9°
C14	C1	N2	122.2°	122.2°
C14	C1	C6	120.3°	120.3°
C1	C14	H13	121.4°	121.4°
C7	C12	H3	121.8°	121.8°
C12	C7	H4	119.9°	119.9°
N2	C1	C6	117.5°	117.5°
C1	N2	C3	123.3°	123.3°
C1	C6	C5	123.0°	123.0°
C1	C6	H18	118.5°	118.5°
N2	C3	C4	118.0°	118.0°
N2	C3	H15	121.0°	120.9°
C6	C5	C4	119.8°	119.8°
C6	C5	H17	120.1°	120.1°
C5	C6	H18	118.5°	118.5°
C3	C4	C5	118.3°	118.3°
C4	C3	H15	121.0°	121.0°
C3	C4	H16	120.8°	120.8°
C5	C4	H16	120.9°	120.9°
C4	C5	H17	120.1°	120.1°
H8	C21	H9	109.5°	109.5°
H8	C21	H10	109.4°	109.4°
H9	C21	H10	109.5°	109.5°
H11	C16	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C18	N19	C16	104.3°	104.3°
C21	C18	N19	H7	141.8°	141.8°
C21	C18	C16	H7	122.8°	122.8°
C21	C18	N19	C20	74.0°	74.0°
C21	C18	N19	NI	59.7°	59.7°
C21	C18	C16	N15	90.0°	90.0°
C18	C21	H8	H9	120.0°	120.0°
C18	C21	H8	H10	120.0°	120.0°
C18	C21	H9	H10	120.0°	120.0°
C21	C18	C16	H11	30.1°	30.1°
C21	C18	C16	H12	149.8°	149.8°
N19	C18	C16	H7	113.4°	113.4°
C18	N19	C20	NI	146.3°	146.3°
C18	N19	C20	C9	153.7°	153.7°
N19	C18	C16	N15	33.8°	33.8°
C18	N19	NI	N15	29.4°	29.4°
C18	N19	NI	N8	157.7°	157.7°
C18	N19	NI	N2	34.2°	34.2°
C18	N19	C20	H5	26.3°	26.3°
N19	C18	C21	H8	180.0°	180.0°
N19	C18	C21	H9	60.0°	60.0°
N19	C18	C21	H10	60.0°	60.0°
N19	C18	C16	H11	153.9°	153.9°
N19	C18	C16	H12	86.4°	86.4°
C16	C18	N19	C20	178.3°	178.3°
C16	C18	N19	NI	44.6°	44.6°
C18	C16	N15	H11	120.2°	120.2°
C18	C16	N15	H12	120.1°	120.1°
C18	C16	N15	NI	27.8°	27.8°
C18	C16	N15	C14	174.0°	174.0°
C16	C18	C21	H8	85.1°	85.1°
C16	C18	C21	H9	34.9°	34.9°
C16	C18	C21	H10	154.9°	154.9°
C18	C16	H11	H12	119.6°	119.6°
N19	C20	C9	H5	180.0°	180.0°
N19	C20	C9	C10	167.7°	167.7°
N19	C20	C9	N8	11.2°	11.2°
C20	N19	NI	N15	170.3°	170.3°
C20	N19	NI	N8	16.8°	16.8°
C20	N19	NI	N2	175.1°	175.1°
C20	N19	C18	H7	67.7°	67.7°
C9	C20	N19	NI	7.4°	7.4°
C20	C9	C10	N8	179.0°	179.0°
C20	C9	C10	C11	179.2°	179.2°
C20	C9	N8	NI	25.9°	25.9°
C20	C9	N8	C7	179.6°	179.6°
C20	C9	C10	H1	0.8°	0.8°
N19	NI	N15	C16	2.0°	2.0°
N19	NI	N8	C9	22.2°	22.2°
N19	NI	N15	N8	15.7°	15.7°
N19	NI	N15	N2	178.3°	178.3°
N19	NI	N15	C14	153.9°	153.9°
N19	NI	N8	N2	175.6°	175.6°
N19	NI	N8	C7	174.5°	174.5°
N19	NI	N2	C1	22.9°	22.9°
N19	NI	N2	C3	176.7°	176.7°
NI	N19	C20	H5	172.6°	172.6°
NI	N19	C18	H7	158.5°	158.5°
C16	N15	NI	C14	151.9°	151.9°
C16	N15	NI	N8	13.7°	13.7°
C16	N15	NI	N2	176.3°	176.3°
C16	N15	C14	C1	173.1°	173.1°
N15	C16	C18	H7	147.1°	147.1°
N15	C16	H11	H12	119.5°	119.5°
C16	N15	C14	H13	6.8°	6.8°
C9	C10	C11	H1	180.0°	180.0°
C9	C10	C11	C12	0.6°	0.6°
C10	C9	N8	NI	153.0°	153.0°
C10	C9	N8	C7	0.6°	0.6°
C9	C10	C11	H2	179.3°	179.4°
C10	C9	C20	H5	12.3°	12.3°
C11	C10	C9	N8	0.2°	0.2°
C10	C11	C12	H2	180.0°	180.0°
C10	C11	C12	C7	0.9°	0.9°
C10	C11	C12	H3	179.1°	179.1°
C9	N8	NI	N15	36.2°	36.2°
C9	N8	NI	C7	152.3°	152.3°
C9	N8	NI	N2	162.2°	162.2°
C9	N8	C7	C12	0.3°	0.3°
N8	C9	C10	H1	179.8°	179.8°
C9	N8	C7	H4	179.7°	179.7°
N8	C9	C20	H5	168.8°	168.8°
N15	NI	N8	N2	161.6°	161.6°
N15	NI	N8	C7	171.5°	171.5°
NI	N15	C14	C1	17.5°	17.5°
N15	NI	N2	C1	27.2°	27.2°
N15	NI	N2	C3	179.0°	179.0°
NI	N15	C16	H11	148.0°	148.0°
NI	N15	C16	H12	92.3°	92.3°
NI	N15	C14	H13	162.5°	162.5°
C14	N15	NI	N8	138.2°	138.2°
C14	N15	NI	N2	24.4°	24.4°
N15	C14	C1	H13	180.0°	180.0°
N15	C14	C1	N2	4.4°	4.4°
N15	C14	C1	C6	174.9°	174.9°
C14	N15	C16	H11	65.9°	65.9°
C14	N15	C16	H12	53.8°	53.8°
C11	C12	C7	N8	0.4°	0.4°
C11	C12	C7	H3	180.0°	180.0°
C12	C11	C10	H1	179.4°	179.4°
C11	C12	C7	H4	179.6°	179.6°
NI	N8	C7	C12	147.9°	147.9°
N8	NI	N2	C1	144.5°	144.5°
N8	NI	N2	C3	9.4°	9.4°
NI	N8	C7	H4	32.1°	32.1°
C7	N8	NI	N2	9.9°	9.9°
N8	C7	C12	H4	180.0°	180.0°
N8	C7	C12	H3	179.6°	179.6°
NI	N2	C1	C14	21.9°	21.9°
NI	N2	C1	C3	157.6°	157.6°
NI	N2	C1	C6	157.4°	157.4°
NI	N2	C3	C4	148.1°	148.1°
NI	N2	C3	H15	32.0°	31.9°
C14	C1	N2	C6	179.3°	179.3°
C14	C1	N2	C3	179.5°	179.5°
C14	C1	C6	C5	179.2°	179.2°
C14	C1	C6	H18	0.8°	0.8°
C7	C12	C11	H2	179.1°	179.1°
N2	C1	C6	C5	0.1°	0.1°
C1	N2	C3	C4	0.4°	0.4°
N2	C1	C14	H13	175.6°	175.6°
C1	N2	C3	H15	179.6°	179.6°
N2	C1	C6	H18	179.9°	179.9°
C6	C1	N2	C3	0.3°	0.3°
C1	C6	C5	H18	180.0°	180.0°
C1	C6	C5	C4	0.3°	0.3°
C6	C1	C14	H13	5.1°	5.1°
C1	C6	C5	H17	179.7°	179.7°
N2	C3	C4	H15	180.0°	180.0°
N2	C3	C4	C5	0.1°	0.1°
N2	C3	C4	H16	179.9°	179.9°
C6	C5	C4	C3	0.2°	0.2°
C6	C5	C4	H17	180.0°	180.0°
C6	C5	C4	H16	179.8°	179.8°
C3	C4	C5	H16	180.0°	180.0°
C3	C4	C5	H17	179.8°	179.8°
C5	C4	C3	H15	179.8°	179.9°
C4	C5	C6	H18	179.7°	179.7°
H1	C10	C11	H2	0.7°	0.6°
H2	C11	C12	H3	0.9°	0.9°
H3	C12	C7	H4	0.4°	0.4°
H7	C18	C21	H8	38.2°	38.2°
H7	C18	C21	H9	158.2°	158.2°
H7	C18	C21	H10	81.8°	81.8°
H7	C18	C16	H11	92.7°	92.7°
H7	C18	C16	H12	27.0°	27.0°
H8	C21	H9	H10	120.0°	120.0°
H15	C3	C4	H16	0.2°	0.1°
H16	C4	C5	H17	0.2°	0.2°
H17	C5	C6	H18	0.3°	0.3°

Release date:	2014-05-28
Definition date:	2013-06-12
Last modified:	2014-05-23
Release status:	REL
Processing site:	PDBJ
Derived from:	4KXI