RFT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	N17	sing	1.46Å	1.45Å
C16	C15	sing	1.53Å	1.53Å
O23	C22	doub	1.21Å	1.19Å
N17	C22	sing	1.34Å	1.44Å
N17	C18	sing	1.34Å	1.51Å
O19	C18	doub	1.21Å	1.18Å
C22	C21	sing	1.51Å	1.55Å
C18	C20	sing	1.51Å	1.47Å
C20	C21	sing	1.54Å	1.52Å
C15	N14	sing	1.46Å	1.45Å
N14	C12	sing	1.35Å	1.45Å
O13	C12	doub	1.21Å	1.18Å
C15	H152	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
N14	H141	sing	0.97Å	1.00Å
C12	C1	sing	1.51Å	59.45Å
C1	S1	sing	1.81Å	0.00Å
S1	C3	sing	1.76Å	0.00Å
C3	S2	sing	1.76Å	0.00Å
S2	C5	sing	1.81Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	C7	sing	1.53Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C3	S3	doub	1.71Å	0.00Å
C1	C2	sing	1.53Å	0.00Å
C1	C4	sing	1.53Å	0.00Å
C5	H1	sing	1.09Å	0.00Å
C5	H2	sing	1.09Å	0.00Å
C6	H3	sing	1.09Å	0.00Å
C6	H4	sing	1.09Å	0.00Å
C7	H5	sing	1.09Å	0.00Å
C7	H6	sing	1.09Å	0.00Å
C8	H7	sing	1.09Å	0.00Å
C8	H8	sing	1.09Å	0.00Å
C8	H9	sing	1.09Å	0.00Å
C2	H10	sing	1.09Å	0.00Å
C2	H11	sing	1.09Å	0.00Å
C2	H12	sing	1.09Å	0.00Å
C4	H13	sing	1.09Å	0.00Å
C4	H14	sing	1.09Å	0.00Å
C4	H15	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N17	C16	C15	109.0°	109.5°
C16	N17	C22	126.0°	122.8°
C16	N17	C18	125.0°	122.8°
N17	C16	H161	109.6°	109.5°
N17	C16	H162	109.6°	109.5°
C16	C15	N14	110.2°	109.5°
C16	C15	H152	109.3°	109.5°
C16	C15	H151	109.3°	109.4°
C15	C16	H161	109.6°	109.5°
C15	C16	H162	109.6°	109.5°
O23	C22	N17	125.3°	125.4°
O23	C22	C21	126.9°	125.4°
C22	N17	C18	108.9°	114.5°
N17	C22	C21	107.7°	109.2°
N17	C18	O19	124.0°	125.4°
N17	C18	C20	108.5°	109.2°
O19	C18	C20	127.5°	125.4°
C22	C21	C20	105.4°	103.5°
C22	C21	H212	110.5°	110.6°
C22	C21	H211	110.5°	110.7°
C18	C20	C21	106.9°	103.6°
C18	C20	H201	110.1°	110.6°
C18	C20	H202	110.1°	110.6°
C21	C20	H201	110.1°	110.6°
C21	C20	H202	110.1°	110.6°
C20	C21	H212	110.5°	110.6°
C20	C21	H211	110.5°	110.6°
C15	N14	C12	120.0°	120.0°
N14	C15	H152	109.3°	109.5°
N14	C15	H151	109.3°	109.5°
C15	N14	H141	120.0°	120.0°
N14	C12	O13	121.3°	120.0°
C12	N14	H141	120.0°	120.0°
N14	C12	C1	112.6°	120.0°
O13	C12	C1	73.7°	120.0°
H152	C15	H151	109.5°	109.5°
H161	C16	H162	109.5°	109.5°
H201	C20	H202	109.5°	110.6°
H212	C21	H211	109.4°	110.6°
C12	C1	S1	90.0°	109.4°
C12	C1	C2	90.0°	109.5°
C12	C1	C4	90.0°	109.5°
C1	S1	C3	90.0°	100.0°
S1	C1	C2	90.0°	109.5°
S1	C1	C4	90.0°	109.5°
S1	C3	S2	90.0°	120.0°
S1	C3	S3	90.0°	120.0°
C3	S2	C5	90.0°	100.0°
S2	C3	S3	90.0°	120.0°
S2	C5	C6	90.0°	109.5°
S2	C5	H1	90.0°	109.5°
S2	C5	H2	90.0°	109.5°
C5	C6	C7	90.0°	109.5°
C6	C5	H1	90.0°	109.5°
C6	C5	H2	90.0°	109.5°
C5	C6	H3	90.0°	109.5°
C5	C6	H4	90.0°	109.5°
C6	C7	C8	90.0°	109.5°
C7	C6	H3	90.0°	109.4°
C7	C6	H4	90.0°	109.5°
C6	C7	H5	90.0°	109.4°
C6	C7	H6	90.0°	109.5°
C8	C7	H5	90.0°	109.5°
C8	C7	H6	90.0°	109.5°
C7	C8	H7	90.0°	109.4°
C7	C8	H8	90.0°	109.5°
C7	C8	H9	90.0°	109.5°
C2	C1	C4	90.0°	109.5°
C1	C2	H10	90.0°	109.5°
C1	C2	H11	90.0°	109.5°
C1	C2	H12	90.0°	109.4°
C1	C4	H13	90.0°	109.4°
C1	C4	H14	90.0°	109.4°
C1	C4	H15	90.0°	109.5°
H1	C5	H2	90.0°	109.4°
H3	C6	H4	90.0°	109.5°
H5	C7	H6	90.0°	109.5°
H7	C8	H8	90.0°	109.5°
H7	C8	H9	90.0°	109.5°
H8	C8	H9	90.0°	109.5°
H10	C2	H11	90.0°	109.5°
H10	C2	H12	90.0°	109.5°
H11	C2	H12	90.0°	109.5°
H13	C4	H14	90.0°	109.5°
H13	C4	H15	90.0°	109.5°
H14	C4	H15	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	C16	C15	H161	119.9°	120.0°
N17	C16	C15	H162	119.9°	120.0°
C16	N17	C22	O23	9.6°	0.0°
C16	N17	C22	C18	178.5°	180.0°
C16	N17	C18	O19	1.8°	0.3°
C16	N17	C22	C21	169.8°	180.0°
C16	N17	C18	C20	179.9°	180.0°
N17	C16	C15	N14	65.9°	180.0°
N17	C16	C15	H152	54.2°	59.9°
N17	C16	C15	H151	173.9°	60.0°
N17	C16	H161	H162	120.2°	120.0°
C15	C16	N17	C22	65.7°	90.0°
C15	C16	N17	C18	112.6°	90.0°
C16	C15	N14	H152	120.1°	120.0°
C16	C15	N14	H151	120.1°	120.0°
C16	C15	N14	C12	110.0°	180.0°
C16	C15	H152	H151	119.7°	119.9°
C15	C16	H161	H162	120.2°	120.0°
C16	C15	N14	H141	70.0°	0.1°
O23	C22	N17	C21	179.4°	179.9°
O23	C22	N17	C18	171.9°	179.9°
O23	C22	C21	C20	165.4°	180.0°
O23	C22	C21	H212	46.1°	61.5°
O23	C22	C21	H211	75.2°	61.5°
C22	N17	C18	O19	179.7°	179.7°
C22	N17	C18	C20	1.4°	0.0°
N17	C22	C21	C20	15.2°	0.0°
C22	N17	C16	H161	54.2°	30.0°
C22	N17	C16	H162	174.4°	150.0°
N17	C22	C21	H212	134.6°	118.5°
N17	C22	C21	H211	104.2°	118.6°
N17	C18	O19	C20	178.0°	179.7°
C18	N17	C22	C21	8.7°	0.0°
N17	C18	C20	C21	11.0°	0.0°
C18	N17	C16	H161	127.5°	149.9°
C18	N17	C16	H162	7.4°	30.0°
N17	C18	C20	H201	130.6°	118.6°
N17	C18	C20	H202	108.6°	118.5°
O19	C18	C20	C21	170.8°	179.7°
O19	C18	C20	H201	51.2°	61.7°
O19	C18	C20	H202	69.7°	61.2°
C22	C21	C20	C18	15.9°	0.0°
C22	C21	C20	H212	119.4°	118.5°
C22	C21	C20	H211	119.4°	118.6°
C22	C21	C20	H201	135.5°	118.5°
C22	C21	C20	H202	103.7°	118.5°
C22	C21	H212	H211	121.9°	123.1°
C18	C20	C21	H201	119.6°	118.5°
C18	C20	C21	H202	119.6°	118.5°
C18	C20	H201	H202	121.2°	122.9°
C18	C20	C21	H212	135.2°	118.5°
C18	C20	C21	H211	103.5°	118.7°
C21	C20	H201	H202	121.2°	122.9°
C20	C21	H212	H211	121.9°	122.8°
C15	N14	C12	H141	180.0°	180.0°
C15	N14	C12	O13	0.9°	0.3°
N14	C15	H152	H151	119.7°	120.0°
N14	C15	C16	H161	174.1°	60.0°
N14	C15	C16	H162	54.0°	60.0°
C15	N14	C12	C1	85.0°	180.0°
N14	C12	O13	C1	106.9°	179.7°
C12	N14	C15	H152	10.1°	60.0°
C12	N14	C15	H151	129.9°	60.0°
N14	C12	C1	S1	90.0°	180.0°
N14	C12	C1	C2	90.0°	60.0°
N14	C12	C1	C4	90.0°	60.0°
O13	C12	N14	H141	179.1°	179.7°
O13	C12	C1	S1	90.0°	0.3°
O13	C12	C1	C2	90.0°	119.7°
O13	C12	C1	C4	90.0°	120.3°
H152	C15	C16	H161	65.8°	60.1°
H152	C15	C16	H162	174.1°	179.9°
H152	C15	N14	H141	169.9°	120.1°
H151	C15	C16	H161	54.0°	180.0°
H151	C15	C16	H162	66.2°	60.0°
H151	C15	N14	H141	50.1°	119.9°
H201	C20	C21	H212	105.2°	0.0°
H201	C20	C21	H211	16.1°	122.8°
H202	C20	C21	H212	15.6°	123.0°
H202	C20	C21	H211	136.9°	0.1°
H141	N14	C12	C1	95.0°	0.0°
C12	C1	S1	C2	90.0°	120.0°
C12	C1	S1	C4	90.0°	120.0°
C12	C1	S1	C3	90.0°	59.1°
C12	C1	C2	C4	90.0°	120.0°
C12	C1	C2	H10	90.0°	66.4°
C12	C1	C2	H11	90.0°	173.6°
C12	C1	C2	H12	90.0°	53.6°
C12	C1	C4	H13	90.0°	61.3°
C12	C1	C4	H14	90.0°	178.7°
C12	C1	C4	H15	90.0°	58.7°
C1	S1	C3	S2	90.0°	174.2°
C1	S1	C3	S3	90.0°	5.9°
S1	C1	C2	C4	90.0°	120.0°
S1	C1	C2	H10	90.0°	173.6°
S1	C1	C2	H11	90.0°	53.6°
S1	C1	C2	H12	90.0°	66.4°
S1	C1	C4	H13	90.0°	58.6°
S1	C1	C4	H14	90.0°	61.4°
S1	C1	C4	H15	90.0°	178.6°
S1	C3	S2	S3	90.0°	180.0°
S1	C3	S2	C5	90.0°	180.0°
C3	S1	C1	C2	90.0°	60.9°
C3	S1	C1	C4	90.0°	179.1°
C3	S2	C5	C6	90.0°	180.0°
C3	S2	C5	H1	90.0°	60.0°
C3	S2	C5	H2	90.0°	60.0°
S2	C5	C6	H1	90.0°	120.1°
S2	C5	C6	H2	90.0°	120.0°
S2	C5	C6	C7	90.0°	180.0°
C5	S2	C3	S3	90.0°	0.0°
S2	C5	H1	H2	90.0°	120.0°
S2	C5	C6	H3	90.0°	60.0°
S2	C5	C6	H4	90.0°	60.0°
C5	C6	C7	H3	90.0°	120.0°
C5	C6	C7	H4	90.0°	120.0°
C5	C6	C7	C8	90.0°	NaN°
C6	C5	H1	H2	90.0°	120.0°
C5	C6	H3	H4	90.0°	120.0°
C5	C6	C7	H5	90.0°	60.0°
C5	C6	C7	H6	90.0°	60.0°
C6	C7	C8	H5	90.0°	120.0°
C6	C7	C8	H6	90.0°	120.0°
C7	C6	C5	H1	90.0°	60.0°
C7	C6	C5	H2	90.0°	60.0°
C7	C6	H3	H4	90.0°	120.0°
C6	C7	H5	H6	90.0°	120.0°
C6	C7	C8	H7	90.0°	60.0°
C6	C7	C8	H8	90.0°	60.0°
C6	C7	C8	H9	90.0°	180.0°
C8	C7	C6	H3	90.0°	60.0°
C8	C7	C6	H4	90.0°	60.0°
C8	C7	H5	H6	90.0°	120.0°
C7	C8	H7	H8	90.0°	120.0°
C7	C8	H7	H9	90.0°	120.0°
C7	C8	H8	H9	90.0°	120.0°
C1	C2	H10	H11	90.0°	120.0°
C1	C2	H10	H12	90.0°	120.0°
C1	C2	H11	H12	90.0°	120.0°
C2	C1	C4	H13	90.0°	178.6°
C2	C1	C4	H14	90.0°	58.6°
C2	C1	C4	H15	90.0°	61.4°
C4	C1	C2	H10	90.0°	53.6°
C4	C1	C2	H11	90.0°	66.4°
C4	C1	C2	H12	90.0°	173.6°
C1	C4	H13	H14	90.0°	120.0°
C1	C4	H13	H15	90.0°	120.0°
C1	C4	H14	H15	90.0°	120.0°
H1	C5	C6	H3	90.0°	180.0°
H1	C5	C6	H4	90.0°	60.1°
H2	C5	C6	H3	90.0°	60.0°
H2	C5	C6	H4	90.0°	NaN°
H3	C6	C7	H5	90.0°	180.0°
H3	C6	C7	H6	90.0°	60.0°
H4	C6	C7	H5	90.0°	60.0°
H4	C6	C7	H6	90.0°	180.0°
H5	C7	C8	H7	90.0°	180.0°
H5	C7	C8	H8	90.0°	60.0°
H5	C7	C8	H9	90.0°	60.0°
H6	C7	C8	H7	90.0°	60.0°
H6	C7	C8	H8	90.0°	180.0°
H6	C7	C8	H9	90.0°	60.0°
H7	C8	H8	H9	90.0°	120.0°
H10	C2	H11	H12	90.0°	120.0°
H13	C4	H14	H15	90.0°	120.1°

Release date:	2020-11-11
Definition date:	2020-05-13
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	6WYF