75G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C4	sing	1.38Å	1.43Å
N4	C4	doub	1.33Å	1.36Å	Aromatic
N4	C1	sing	1.32Å	1.36Å	Aromatic
C4	C3	sing	1.41Å	1.41Å	Aromatic
CL1	C1	sing	1.74Å	1.75Å
C1	N5	doub	1.32Å	1.37Å	Aromatic
C3	N2	sing	1.35Å	1.45Å	Aromatic
C3	C2	doub	1.40Å	1.42Å	Aromatic
N2	C10	doub	1.30Å	1.36Å	Aromatic
N5	C2	sing	1.33Å	1.33Å	Aromatic
C2	N1	sing	1.37Å	1.28Å	Aromatic
C10	N1	sing	1.36Å	1.25Å	Aromatic
N1	C7	sing	1.46Å	1.38Å
C7	O3	sing	1.45Å	1.58Å
C7	C8	sing	1.55Å	1.48Å
O3	C6	sing	1.43Å	1.52Å
C8	C9	sing	1.53Å	1.47Å
C8	O4	sing	1.43Å	1.44Å
S1	P1	sing	2.12Å	2.09Å
C9	C6	sing	1.55Å	1.45Å
C9	O5	sing	1.43Å	1.38Å
C5	C6	sing	1.52Å	1.46Å
C5	O2	sing	1.45Å	1.58Å
O5	P1	sing	1.63Å	1.57Å
P1	O2	sing	1.62Å	1.76Å
P1	O1	doub	1.48Å	1.48Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
O4	H7	sing	0.97Å	0.95Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.08Å	1.08Å
N3	H10	sing	0.97Å	1.00Å
N3	H11	sing	0.97Å	1.00Å
S1	H12	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C4	N4	122.5°	120.8°
N3	C4	C3	121.6°	120.7°
C4	N3	H10	109.5°	120.0°
C4	N3	H11	109.5°	120.0°
C4	N4	C1	120.7°	121.1°
N4	C4	C3	116.0°	118.5°
N4	C1	CL1	117.0°	118.7°
N4	C1	N5	122.6°	122.4°
C4	C3	N2	132.1°	134.7°
C4	C3	C2	122.4°	118.2°
CL1	C1	N5	120.3°	118.8°
C1	N5	C2	120.2°	120.6°
N2	C3	C2	105.4°	107.2°
C3	N2	C10	104.5°	109.4°
C3	C2	N5	118.0°	119.1°
C3	C2	N1	104.4°	106.0°
N2	C10	N1	108.5°	110.0°
N2	C10	H9	125.7°	125.0°
N5	C2	N1	137.6°	134.9°
C2	N1	C10	117.1°	107.4°
C2	N1	C7	127.5°	126.3°
C10	N1	C7	115.4°	126.3°
N1	C10	H9	125.7°	125.0°
N1	C7	O3	109.8°	109.9°
N1	C7	C8	119.1°	109.9°
N1	C7	H5	108.4°	110.0°
O3	C7	C8	105.6°	107.1°
C7	O3	C6	102.1°	105.4°
O3	C7	H5	106.0°	109.9°
C7	C8	C9	107.0°	102.9°
C7	C8	O4	109.9°	110.7°
C8	C7	H5	107.1°	109.9°
C7	C8	H6	109.6°	110.7°
O3	C6	C9	104.4°	102.3°
O3	C6	C5	107.8°	116.6°
O3	C6	H4	109.4°	109.6°
C9	C8	O4	110.2°	111.5°
C8	C9	C6	106.1°	101.1°
C8	C9	O5	115.0°	113.9°
C9	C8	H6	109.8°	110.2°
C8	C9	H8	107.2°	111.2°
O4	C8	H6	110.3°	110.6°
C8	O4	H7	109.5°	114.0°
S1	P1	O5	115.0°	110.0°
S1	P1	O2	105.0°	110.0°
S1	P1	O1	101.2°	109.9°
P1	S1	H12	102.0°	103.0°
C6	C9	O5	112.6°	106.1°
C9	C6	C5	114.4°	109.0°
C9	C6	H4	110.3°	109.6°
C6	C9	H8	107.4°	112.4°
C9	O5	P1	110.5°	116.6°
O5	C9	H8	108.3°	111.6°
C6	C5	O2	109.6°	106.7°
C6	C5	H2	109.5°	110.0°
C6	C5	H3	109.4°	110.0°
C5	C6	H4	110.3°	109.5°
C5	O2	P1	114.1°	120.2°
O2	C5	H2	109.4°	110.0°
O2	C5	H3	109.4°	110.0°
O5	P1	O2	111.4°	106.9°
O5	P1	O1	112.0°	110.0°
O2	P1	O1	111.6°	110.0°
H2	C5	H3	109.4°	110.1°
H10	N3	H11	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C4	N4	C3	179.7°	179.9°
N3	C4	N4	C1	179.9°	180.0°
N3	C4	C3	N2	0.5°	0.1°
N3	C4	C3	C2	179.8°	180.0°
C4	N3	H10	H11	120.0°	180.0°
C4	N4	C1	CL1	179.9°	179.7°
C4	N4	C1	N5	0.4°	0.1°
N4	C4	C3	N2	179.8°	180.0°
N4	C4	C3	C2	0.1°	0.1°
N4	C4	N3	H10	0.0°	180.0°
N4	C4	N3	H11	120.0°	0.0°
C1	N4	C4	C3	0.2°	0.1°
N4	C1	CL1	N5	179.5°	179.8°
N4	C1	N5	C2	0.3°	0.1°
C4	C3	N2	C2	179.7°	179.9°
C4	C3	N2	C10	179.8°	179.9°
C4	C3	C2	N5	0.1°	0.1°
C4	C3	C2	N1	179.4°	180.0°
C3	C4	N3	H10	179.7°	0.1°
C3	C4	N3	H11	60.3°	180.0°
CL1	C1	N5	C2	179.8°	179.7°
C1	N5	C2	C3	0.2°	0.1°
C1	N5	C2	N1	179.1°	180.0°
N2	C3	C2	N5	179.9°	180.0°
N2	C3	C2	N1	0.4°	0.0°
C3	N2	C10	N1	0.5°	0.0°
C3	N2	C10	H9	179.5°	179.9°
C2	C3	N2	C10	0.1°	0.0°
C3	C2	N5	N1	179.3°	179.9°
C3	C2	N1	C10	0.8°	0.0°
C3	C2	N1	C7	178.8°	180.0°
N2	C10	N1	C2	0.8°	0.0°
N2	C10	N1	H9	180.0°	179.9°
N2	C10	N1	C7	179.1°	180.0°
N5	C2	N1	C10	179.9°	180.0°
N5	C2	N1	C7	1.8°	0.1°
C2	N1	C10	C7	178.3°	180.0°
C2	N1	C7	O3	72.6°	156.4°
C2	N1	C7	C8	49.3°	85.9°
C2	N1	C7	H5	172.0°	35.3°
C2	N1	C10	H9	179.2°	179.9°
C10	N1	C7	O3	105.5°	23.6°
C10	N1	C7	C8	132.6°	94.1°
C10	N1	C7	H5	9.9°	144.7°
N1	C7	O3	C8	129.6°	119.4°
N1	C7	O3	H5	116.9°	121.2°
N1	C7	C8	H5	123.3°	121.3°
N1	C7	O3	C6	146.4°	146.2°
N1	C7	C8	C9	117.8°	117.4°
N1	C7	C8	O4	122.6°	123.4°
N1	C7	C8	H6	1.2°	0.3°
C7	N1	C10	H9	0.9°	0.1°
O3	C7	C8	H5	112.7°	119.4°
O3	C7	C8	C9	6.2°	2.0°
O3	C7	C8	O4	113.5°	117.3°
C7	O3	C6	C9	33.9°	44.2°
C7	O3	C6	C5	155.9°	163.0°
C7	O3	C6	H4	84.1°	72.0°
O3	C7	C8	H6	125.2°	119.7°
C8	C7	O3	C6	16.8°	26.8°
C7	C8	C9	O4	119.5°	118.7°
C7	C8	C9	H6	118.9°	118.1°
C7	C8	O4	H6	120.9°	123.1°
C7	C8	C9	C6	28.3°	27.0°
C7	C8	C9	O5	153.4°	140.4°
C7	C8	O4	H7	180.0°	61.4°
C7	C8	C9	H8	86.2°	92.5°
O3	C6	C9	C8	39.4°	44.2°
O3	C6	C9	C5	117.6°	124.0°
O3	C6	C9	H4	117.5°	116.2°
O3	C6	C9	O5	166.0°	163.3°
O3	C6	C5	H4	119.4°	125.1°
O3	C6	C5	O2	170.3°	177.8°
O3	C6	C5	H2	50.3°	58.4°
O3	C6	C5	H3	69.6°	63.0°
C6	O3	C7	H5	96.7°	92.6°
O3	C6	C9	H8	74.9°	74.5°
C9	C8	O4	H6	121.4°	123.0°
C8	C9	C6	O5	126.5°	119.1°
C8	C9	C6	H8	114.3°	118.7°
C8	C9	O5	H8	119.8°	126.9°
C8	C9	C6	C5	157.0°	168.2°
C8	C9	O5	P1	173.5°	167.8°
C8	C9	C6	H4	78.0°	71.9°
C9	C8	C7	H5	118.9°	121.3°
C9	C8	O4	H7	62.3°	175.3°
O4	C8	C9	C6	91.2°	91.7°
O4	C8	C9	O5	33.9°	21.7°
O4	C8	C7	H5	0.7°	2.1°
O4	C8	C9	H8	154.3°	148.8°
S1	P1	O5	C9	79.0°	81.3°
S1	P1	O2	C5	99.4°	85.3°
S1	P1	O5	O2	119.3°	119.4°
S1	P1	O5	O1	114.9°	121.3°
S1	P1	O2	O1	108.9°	121.2°
C6	C9	O5	H8	118.6°	122.7°
C9	C6	C5	H4	125.0°	119.9°
C9	C6	C5	O2	54.7°	67.2°
C6	C9	O5	P1	64.9°	57.5°
C9	C6	C5	H2	65.3°	173.5°
C9	C6	C5	H3	174.7°	52.1°
C6	C9	C8	H6	147.2°	145.0°
O5	C9	C6	C5	76.5°	72.7°
C9	O5	P1	O2	40.3°	38.1°
C9	O5	P1	O1	166.1°	157.5°
O5	C9	C6	H4	48.5°	47.2°
O5	C9	C8	H6	87.7°	101.6°
C6	C5	O2	H2	120.1°	119.3°
C6	C5	O2	H3	120.0°	119.2°
C6	C5	O2	P1	31.6°	49.7°
C6	C5	H2	H3	119.9°	121.3°
C5	C6	C9	H8	42.6°	49.5°
C5	O2	P1	O5	25.7°	34.1°
C5	O2	P1	O1	151.7°	153.5°
O2	C5	H2	H3	119.9°	121.4°
O2	C5	C6	H4	70.3°	52.7°
O5	P1	O2	O1	126.0°	119.4°
P1	O5	C9	H8	53.7°	65.2°
O5	P1	S1	H12	121.0°	177.5°
P1	O2	C5	H2	88.4°	169.0°
P1	O2	C5	H3	151.7°	69.5°
O2	P1	S1	H12	116.2°	60.0°
O1	P1	S1	H12	0.0°	61.2°
H2	C5	C6	H4	169.7°	66.6°
H3	C5	C6	H4	49.8°	172.0°
H4	C6	C9	H8	167.6°	169.4°
H5	C7	C8	H6	122.1°	120.9°
H6	C8	O4	H7	59.0°	61.6°
H6	C8	C9	H8	32.7°	25.5°

Release date:	2016-10-12
Definition date:	2016-08-29
Last modified:	2020-02-12
Release status:	REL
Processing site:	RCSB
Derived from:	5T3N