SVJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C1	sing	1.54Å	1.52Å
C7	C6	sing	1.53Å	1.54Å
C1	N	sing	1.50Å	1.50Å
C1	C2	sing	1.55Å	1.54Å
C6	N1	sing	1.47Å	1.49Å
C6	C5	sing	1.53Å	1.55Å
N	C	sing	1.47Å	1.50Å
N	C4	sing	1.49Å	1.49Å
C2	C3	sing	1.54Å	1.49Å
C5	C4	sing	1.54Å	1.52Å
C4	C3	sing	1.55Å	1.53Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C7	C6	114.6°	108.9°
C7	C1	N	103.8°	107.7°
C7	C1	C2	112.9°	107.8°
C1	C7	H8	108.2°	109.5°
C1	C7	H9	108.2°	109.6°
C7	C1	H14	110.9°	112.1°
C7	C6	N1	106.3°	109.5°
C7	C6	C5	114.2°	109.8°
C7	C6	H7	108.8°	109.4°
C6	C7	H8	108.2°	109.6°
C6	C7	H9	108.1°	109.6°
N	C1	C2	107.4°	104.0°
C1	N	C	111.4°	111.9°
C1	N	C4	99.5°	103.0°
N	C1	H14	111.2°	112.0°
C1	C2	C3	104.2°	104.8°
C2	C1	H14	110.5°	112.7°
C1	C2	H15	110.8°	110.3°
C1	C2	H16	110.8°	110.4°
N1	C6	C5	109.3°	109.4°
C6	N1	H1	109.5°	111.1°
C6	N1	H2	109.5°	111.0°
N1	C6	H7	109.5°	109.4°
C6	C5	C4	114.2°	108.9°
C6	C5	H5	108.3°	109.6°
C6	C5	H6	108.3°	109.7°
C5	C6	H7	108.7°	109.4°
C	N	C4	113.4°	111.0°
N	C	H11	109.5°	109.5°
N	C	H12	109.5°	109.4°
N	C	H13	109.4°	109.5°
N	C4	C5	106.9°	107.8°
N	C4	C3	106.9°	104.2°
N	C4	H4	111.2°	112.2°
C2	C3	C4	105.9°	104.9°
C3	C2	H15	110.8°	110.4°
C3	C2	H16	110.8°	110.4°
C2	C3	H17	110.4°	110.9°
C2	C3	H18	110.3°	109.9°
C5	C4	C3	110.4°	107.8°
C5	C4	H4	110.7°	112.1°
C4	C5	H5	108.3°	109.5°
C4	C5	H6	108.3°	109.6°
C3	C4	H4	110.6°	112.2°
C4	C3	H17	110.3°	110.3°
C4	C3	H18	110.4°	110.3°
H1	N1	H2	109.5°	111.0°
H5	C5	H6	109.4°	109.6°
H8	C7	H9	109.5°	109.7°
H11	C	H12	109.4°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.4°
H15	C2	H16	109.5°	110.4°
H17	C3	H18	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C7	C6	H8	120.8°	119.8°
C1	C7	C6	H9	120.8°	119.8°
C7	C1	N	C2	119.7°	114.2°
C7	C1	N	H14	119.3°	123.8°
C7	C1	C2	H14	124.9°	124.3°
C1	C7	C6	N1	94.3°	66.1°
C1	C7	C6	C5	26.3°	54.1°
C7	C1	N	C	158.1°	168.8°
C7	C1	N	C4	82.0°	72.0°
C7	C1	C2	C3	90.7°	88.5°
C1	C7	C6	H7	147.9°	174.1°
C1	C7	H8	H9	117.7°	120.3°
C7	C1	C2	H15	28.5°	30.3°
C7	C1	C2	H16	150.2°	152.6°
C6	C7	C1	N	56.1°	64.0°
C6	C7	C1	C2	59.8°	47.6°
C7	C6	N1	C5	123.7°	120.3°
C7	C6	N1	H7	117.4°	119.8°
C7	C6	C5	H7	121.7°	120.0°
C7	C6	C5	C4	22.5°	54.1°
C7	C6	N1	H1	180.0°	178.3°
C7	C6	N1	H2	60.0°	57.7°
C7	C6	C5	H5	98.2°	173.9°
C7	C6	C5	H6	143.2°	65.8°
C6	C7	H8	H9	117.6°	120.3°
C6	C7	C1	H14	175.5°	172.3°
N	C1	C2	H14	121.4°	121.5°
C1	N	C	C4	111.3°	114.4°
N	C1	C2	C3	23.1°	25.6°
C1	N	C4	C5	79.7°	72.0°
C1	N	C4	C3	38.6°	42.3°
C1	N	C4	H4	159.4°	164.0°
N	C1	C7	H8	64.7°	176.1°
N	C1	C7	H9	176.8°	55.8°
C1	N	C	H11	180.0°	54.3°
C1	N	C	H12	60.0°	65.6°
C1	N	C	H13	60.0°	174.4°
N	C1	C2	H15	142.2°	144.4°
N	C1	C2	H16	96.1°	93.3°
C2	C1	N	C	82.1°	76.9°
C2	C1	N	C4	37.8°	42.3°
C1	C2	C3	H15	119.2°	118.8°
C1	C2	C3	H16	119.2°	118.8°
C1	C2	C3	C4	1.5°	0.0°
C2	C1	C7	H8	179.4°	72.3°
C2	C1	C7	H9	60.9°	167.4°
C1	C2	H15	H16	122.5°	122.3°
C1	C2	C3	H17	120.9°	119.1°
C1	C2	C3	H18	117.9°	118.6°
N1	C6	C5	H7	119.4°	119.8°
N1	C6	C5	C4	96.4°	66.1°
C6	N1	H1	H2	120.0°	124.0°
N1	C6	C5	H5	142.9°	53.7°
N1	C6	C5	H6	24.3°	174.0°
N1	C6	C7	H8	145.0°	53.7°
N1	C6	C7	H9	26.5°	174.1°
C6	C5	C4	N	49.7°	64.4°
C6	C5	C4	H5	120.7°	119.8°
C6	C5	C4	H6	120.7°	120.0°
C6	C5	C4	C3	66.2°	47.6°
C5	C6	N1	H1	56.3°	58.0°
C5	C6	N1	H2	176.3°	178.0°
C6	C5	C4	H4	170.9°	171.6°
C6	C5	H5	H6	117.9°	120.4°
C5	C6	C7	H8	94.5°	173.9°
C5	C6	C7	H9	147.0°	65.7°
C	N	C4	C5	161.9°	168.1°
C	N	C4	C3	79.9°	77.5°
C	N	C4	H4	41.0°	44.2°
N	C	H11	H12	120.0°	120.0°
N	C	H11	H13	120.0°	120.0°
N	C	H12	H13	120.0°	120.0°
C	N	C1	H14	38.9°	45.1°
N	C4	C3	C2	25.8°	25.8°
N	C4	C5	C3	115.9°	112.0°
N	C4	C5	H4	121.2°	124.0°
N	C4	C3	H4	121.2°	121.7°
N	C4	C5	H5	71.0°	175.8°
N	C4	C5	H6	170.4°	55.6°
C4	N	C	H11	68.7°	60.0°
C4	N	C	H12	51.3°	180.0°
C4	N	C	H13	171.3°	60.0°
C4	N	C1	H14	158.7°	164.3°
N	C4	C3	H17	145.3°	93.7°
N	C4	C3	H18	93.7°	144.1°
C2	C3	C4	C5	90.1°	88.5°
C2	C3	C4	H17	119.5°	119.5°
C2	C3	C4	H18	119.4°	118.2°
C2	C3	C4	H4	147.0°	147.5°
C3	C2	C1	H14	144.5°	147.1°
C3	C2	H15	H16	122.4°	122.3°
C2	C3	H17	H18	121.6°	122.0°
C5	C4	C3	H4	122.9°	124.0°
C4	C5	H5	H6	117.8°	120.2°
C4	C5	C6	H7	144.2°	174.1°
C5	C4	C3	H17	29.3°	152.0°
C5	C4	C3	H18	150.4°	29.7°
C3	C4	C5	H5	173.1°	72.2°
C3	C4	C5	H6	54.5°	167.5°
C4	C3	C2	H15	117.7°	118.8°
C4	C3	C2	H16	120.7°	118.8°
C4	C3	H17	H18	121.6°	122.2°
H1	N1	C6	H7	62.6°	61.8°
H2	N1	C6	H7	57.4°	62.2°
H4	C4	C5	H5	50.2°	51.8°
H4	C4	C5	H6	68.4°	68.4°
H4	C4	C3	H17	93.6°	28.0°
H4	C4	C3	H18	27.5°	94.3°
H5	C5	C6	H7	23.5°	66.1°
H6	C5	C6	H7	95.1°	54.2°
H7	C6	C7	H8	27.2°	66.1°
H7	C6	C7	H9	91.3°	54.3°
H8	C7	C1	H14	54.7°	52.4°
H9	C7	C1	H14	63.8°	67.9°
H11	C	H12	H13	120.0°	120.1°
H14	C1	C2	H15	96.4°	94.0°
H14	C1	C2	H16	25.3°	28.3°
H15	C2	C3	H17	1.8°	122.0°
H15	C2	C3	H18	122.9°	0.2°
H16	C2	C3	H17	119.9°	0.3°
H16	C2	C3	H18	1.2°	122.6°

Release date:	2020-07-22
Definition date:	2020-03-11
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5RA5