N7Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	doub	1.32Å	1.33Å	Aromatic
N1	C	sing	1.33Å	1.35Å	Aromatic
C1	N2	sing	1.32Å	1.33Å	Aromatic
N	C	sing	1.38Å	1.33Å
C	C3	doub	1.40Å	1.40Å	Aromatic
N2	C2	doub	1.33Å	1.34Å	Aromatic
C2	C3	sing	1.41Å	1.39Å	Aromatic
C2	N4	sing	1.37Å	1.37Å	Aromatic
C3	N3	sing	1.36Å	1.39Å	Aromatic
N4	C5	sing	1.46Å	1.46Å
N4	C4	sing	1.36Å	1.37Å	Aromatic
N3	C4	doub	1.30Å	1.31Å	Aromatic
C5	O15	sing	1.44Å	1.42Å
C5	C6	sing	1.55Å	1.54Å
O15	C8	sing	1.44Å	1.44Å
O	C6	sing	1.43Å	1.42Å
C6	C7	sing	1.55Å	1.53Å
O1	C7	sing	1.43Å	1.44Å
O1	P	sing	1.61Å	1.75Å
O2	P	doub	1.48Å	1.48Å
C8	C7	sing	1.54Å	1.52Å
C8	C9	sing	1.53Å	1.51Å
C9	O8	sing	1.43Å	1.44Å
P	O3	sing	1.61Å	1.60Å
P	O7	sing	1.61Å	1.48Å
O4	P1	doub	1.48Å	1.51Å
O3	P1	sing	1.61Å	1.86Å
P1	O5	sing	1.61Å	1.51Å
P1	O6	sing	1.61Å	1.51Å
O8	P2	sing	1.61Å	1.60Å
O13	P2	doub	1.48Å	1.48Å
P2	O14	sing	1.61Å	1.48Å
P2	O9	sing	1.61Å	1.60Å
O10	P3	doub	1.48Å	1.51Å
O9	P3	sing	1.61Å	1.84Å
O12	P3	sing	1.61Å	1.51Å
P3	O11	sing	1.61Å	1.52Å
C4	H7	sing	1.08Å	1.08Å
C5	H	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
O5	H11	sing	0.97Å	0.95Å
O6	H12	sing	0.97Å	0.95Å
O7	H13	sing	0.97Å	0.95Å
N	H5	sing	0.97Å	1.00Å
N	H4	sing	0.97Å	1.00Å
O	H8	sing	0.97Å	0.95Å
C1	H6	sing	1.08Å	1.08Å
O11	H14	sing	0.97Å	0.95Å
O12	H15	sing	0.97Å	0.95Å
O14	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C	118.8°	121.2°
N1	C1	N2	128.8°	122.4°
N1	C1	H6	115.6°	118.7°
N1	C	N	118.3°	120.8°
N1	C	C3	117.8°	118.4°
C1	N2	C2	111.2°	120.7°
N2	C1	H6	115.6°	118.8°
N	C	C3	123.9°	120.8°
C	N	H5	109.5°	120.0°
C	N	H4	109.5°	120.0°
C	C3	C2	117.0°	118.2°
C	C3	N3	132.6°	134.7°
N2	C2	C3	126.5°	119.1°
N2	C2	N4	127.7°	134.9°
C3	C2	N4	105.9°	106.0°
C2	C3	N3	110.4°	107.1°
C2	N4	C5	127.2°	126.3°
C2	N4	C4	105.9°	107.4°
C3	N3	C4	103.9°	109.5°
C5	N4	C4	126.9°	126.3°
N4	C5	O15	108.3°	110.4°
N4	C5	C6	113.9°	110.3°
N4	C5	H	109.1°	110.4°
N4	C4	N3	113.8°	109.9°
N4	C4	H7	123.1°	125.0°
N3	C4	H7	123.1°	125.0°
O15	C5	C6	107.6°	104.8°
C5	O15	C8	109.8°	105.3°
O15	C5	H	109.7°	110.4°
C5	C6	O	110.6°	110.5°
C5	C6	C7	101.2°	104.0°
C6	C5	H	108.1°	110.3°
C5	C6	H1	110.7°	110.5°
O15	C8	C7	103.1°	104.8°
O15	C8	C9	109.4°	110.4°
O15	C8	H3	110.4°	110.5°
O	C6	C7	110.7°	110.5°
O	C6	H1	112.4°	110.6°
C6	O	H8	109.5°	114.0°
C6	C7	O1	113.4°	110.5°
C6	C7	C8	102.5°	104.1°
C7	C6	H1	110.8°	110.5°
C6	C7	H2	109.2°	110.5°
C7	O1	P	131.4°	123.0°
O1	C7	C8	111.8°	110.6°
O1	C7	H2	110.4°	110.5°
O1	P	O2	105.3°	109.4°
O1	P	O3	102.2°	109.5°
O1	P	O7	109.6°	109.5°
O2	P	O3	108.8°	109.5°
O2	P	O7	119.0°	109.5°
C7	C8	C9	114.9°	110.4°
C8	C7	H2	109.3°	110.5°
C7	C8	H3	109.3°	110.4°
C8	C9	O8	109.6°	109.5°
C9	C8	H3	109.5°	110.3°
C8	C9	H9	109.4°	109.5°
C8	C9	H10	109.4°	109.4°
C9	O8	P2	121.0°	123.0°
O8	C9	H9	109.4°	109.5°
O8	C9	H10	109.4°	109.5°
O3	P	O7	110.6°	109.5°
P	O3	P1	137.4°	134.1°
P	O7	H13	109.5°	114.0°
O4	P1	O3	109.5°	109.4°
O4	P1	O5	112.7°	109.4°
O4	P1	O6	112.8°	109.5°
O3	P1	O5	101.9°	109.5°
O3	P1	O6	106.3°	109.5°
O5	P1	O6	112.7°	109.5°
P1	O5	H11	109.5°	114.0°
P1	O6	H12	109.5°	114.0°
O8	P2	O13	109.0°	109.5°
O8	P2	O14	109.0°	109.5°
O8	P2	O9	100.5°	109.5°
O13	P2	O14	118.6°	109.5°
O13	P2	O9	108.8°	109.5°
O14	P2	O9	109.4°	109.4°
P2	O14	H16	109.5°	114.0°
P2	O9	P3	135.3°	134.0°
O10	P3	O9	100.3°	109.5°
O10	P3	O12	112.8°	109.4°
O10	P3	O11	112.6°	109.5°
O9	P3	O12	112.8°	109.5°
O9	P3	O11	104.5°	109.5°
O12	P3	O11	112.8°	109.5°
P3	O12	H15	109.5°	114.0°
P3	O11	H14	109.5°	114.0°
H9	C9	H10	109.5°	109.5°
H5	N	H4	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N2	H6	180.0°	179.9°
C1	N1	C	N	179.4°	179.9°
C1	N1	C	C3	0.3°	0.0°
N1	C1	N2	C2	0.1°	0.0°
C	N1	C1	N2	0.1°	0.0°
N1	C	N	C3	179.6°	179.9°
N1	C	C3	C2	0.3°	0.0°
N1	C	C3	N3	179.6°	180.0°
N1	C	N	H5	0.0°	0.1°
N1	C	N	H4	120.0°	179.9°
C	N1	C1	H6	179.9°	179.9°
C1	N2	C2	C3	0.1°	0.0°
C1	N2	C2	N4	179.6°	180.0°
N	C	C3	C2	179.3°	179.9°
N	C	C3	N3	0.8°	0.1°
C	N	H5	H4	120.0°	179.9°
C	C3	C2	N2	0.1°	0.0°
C	C3	C2	N3	179.9°	180.0°
C	C3	C2	N4	179.9°	180.0°
C	C3	N3	C4	179.8°	179.9°
C3	C	N	H5	179.6°	180.0°
C3	C	N	H4	60.3°	0.1°
N2	C2	C3	N4	179.8°	180.0°
N2	C2	C3	N3	179.8°	180.0°
N2	C2	N4	C5	0.0°	0.0°
N2	C2	N4	C4	179.7°	179.9°
C2	N2	C1	H6	179.9°	179.9°
C3	C2	N4	C5	179.8°	179.9°
C3	C2	N4	C4	0.1°	0.2°
C2	C3	N3	C4	0.1°	0.2°
N4	C2	C3	N3	0.0°	0.0°
C2	N4	C5	C4	179.7°	179.9°
C2	N4	C4	N3	0.1°	0.3°
C2	N4	C5	O15	109.8°	156.4°
C2	N4	C5	C6	130.5°	88.2°
C2	N4	C4	H7	179.9°	180.0°
C2	N4	C5	H	9.6°	34.1°
C3	N3	C4	N4	0.1°	0.3°
C3	N3	C4	H7	179.9°	180.0°
C5	N4	C4	N3	179.9°	179.8°
N4	C5	O15	C6	123.6°	118.8°
N4	C5	O15	H	119.0°	122.4°
N4	C5	C6	H	121.5°	122.3°
N4	C5	O15	C8	119.2°	159.3°
N4	C5	C6	O	102.4°	98.6°
N4	C5	C6	C7	140.2°	142.8°
C5	N4	C4	H7	0.1°	0.1°
N4	C5	C6	H1	22.8°	24.2°
N4	C4	N3	H7	180.0°	179.7°
C4	N4	C5	O15	69.9°	23.5°
C4	N4	C5	C6	49.8°	91.9°
C4	N4	C5	H	170.7°	145.8°
O15	C5	C6	H	118.4°	118.8°
O15	C5	C6	O	137.5°	142.6°
O15	C5	C6	C7	20.1°	24.0°
C5	O15	C8	C7	27.3°	40.5°
C5	O15	C8	C9	95.4°	159.3°
O15	C5	C6	H1	97.4°	94.7°
C5	O15	C8	H3	144.0°	78.4°
C6	C5	O15	C8	4.4°	40.5°
C5	C6	O	C7	111.3°	114.6°
C5	C6	O	H1	124.2°	122.7°
C5	C6	C7	H1	117.4°	118.6°
C5	C6	C7	O1	85.1°	118.7°
C5	C6	C7	C8	35.5°	0.0°
C5	C6	C7	H2	151.4°	118.6°
C5	C6	O	H8	162.5°	61.4°
O15	C8	C7	C6	39.1°	24.0°
O15	C8	C7	O1	82.7°	142.6°
O15	C8	C7	C9	118.9°	118.9°
O15	C8	C7	H3	117.5°	119.0°
O15	C8	C9	H3	121.1°	122.3°
O15	C8	C9	O8	164.3°	69.6°
C8	O15	C5	H	121.8°	78.3°
O15	C8	C7	H2	154.9°	94.7°
O15	C8	C9	H9	75.7°	170.4°
O15	C8	C9	H10	44.3°	50.4°
O	C6	C7	H1	125.3°	122.8°
O	C6	C7	O1	32.1°	0.1°
O	C6	C7	C8	152.8°	118.6°
O	C6	C5	H	19.0°	23.8°
O	C6	C7	H2	91.4°	122.7°
C6	C7	O1	C8	115.3°	114.7°
C6	C7	O1	H2	122.9°	122.6°
C6	C7	O1	P	142.3°	121.4°
C6	C7	C8	H2	115.8°	118.6°
C6	C7	C8	C9	79.8°	142.8°
C7	C6	C5	H	98.3°	94.9°
C6	C7	C8	H3	156.6°	95.0°
C7	C6	O	H8	51.2°	176.1°
C7	O1	P	O2	155.0°	55.0°
O1	C7	C8	H2	122.5°	122.7°
O1	C7	C8	C9	158.4°	98.5°
C7	O1	P	O3	91.4°	175.0°
C7	O1	P	O7	25.9°	65.0°
O1	C7	C6	H1	157.5°	122.6°
O1	C7	C8	H3	34.8°	23.7°
O1	P	O2	O3	108.9°	120.0°
O1	P	O2	O7	123.3°	120.0°
P	O1	C7	C8	102.5°	123.9°
O1	P	O3	O7	116.6°	120.0°
O1	P	O3	P1	63.8°	160.0°
P	O1	C7	H2	19.4°	1.2°
O1	P	O7	H13	121.2°	60.0°
O2	P	O3	O7	132.4°	120.0°
O2	P	O3	P1	174.8°	40.0°
O2	P	O7	H13	0.0°	180.0°
C7	C8	C9	H3	123.5°	122.2°
C7	C8	C9	O8	80.4°	175.0°
C8	C7	C6	H1	81.9°	118.6°
C7	C8	C9	H9	39.7°	55.0°
C7	C8	C9	H10	159.6°	65.0°
C8	C9	O8	H9	120.0°	120.0°
C8	C9	O8	H10	120.0°	120.0°
C8	C9	O8	P2	108.4°	180.0°
C9	C8	C7	H2	35.9°	24.2°
C8	C9	H9	H10	119.9°	120.0°
C9	O8	P2	O13	74.9°	55.0°
C9	O8	P2	O14	56.0°	65.0°
C9	O8	P2	O9	170.9°	175.0°
O8	C9	C8	H3	43.1°	52.7°
O8	C9	H9	H10	119.9°	120.0°
P	O3	P1	O4	77.1°	45.0°
P	O3	P1	O5	163.3°	165.0°
P	O3	P1	O6	45.1°	74.9°
O3	P	O7	H13	126.9°	60.0°
O7	P	O3	P1	52.8°	80.0°
O4	P1	O3	O5	119.6°	120.0°
O4	P1	O3	O6	122.2°	120.0°
O4	P1	O5	O6	129.1°	120.0°
O4	P1	O5	H11	0.0°	60.0°
O4	P1	O6	H12	0.0°	180.0°
O3	P1	O5	O6	113.6°	120.0°
O3	P1	O5	H11	117.3°	180.0°
O3	P1	O6	H12	120.1°	60.1°
O5	P1	O6	H12	129.1°	60.0°
O6	P1	O5	H11	129.1°	60.0°
O8	P2	O13	O14	125.5°	120.0°
O8	P2	O13	O9	108.7°	120.0°
O8	P2	O14	O9	109.0°	120.0°
O8	P2	O9	P3	66.5°	165.0°
P2	O8	C9	H9	11.6°	60.0°
P2	O8	C9	H10	131.5°	60.0°
O8	P2	O14	H16	125.5°	59.9°
O13	P2	O14	O9	125.5°	120.0°
O13	P2	O9	P3	47.9°	45.0°
O13	P2	O14	H16	0.0°	179.9°
O14	P2	O9	P3	178.9°	75.0°
P2	O9	P3	O10	78.6°	40.0°
P2	O9	P3	O12	41.7°	80.0°
P2	O9	P3	O11	164.6°	160.0°
O9	P2	O14	H16	125.5°	60.1°
O10	P3	O9	O12	120.3°	120.0°
O10	P3	O9	O11	116.8°	120.0°
O10	P3	O12	O11	129.0°	120.0°
O10	P3	O11	H14	0.0°	60.0°
O10	P3	O12	H15	0.0°	179.9°
O9	P3	O12	O11	118.1°	120.0°
O9	P3	O11	H14	108.0°	180.0°
O9	P3	O12	H15	112.8°	60.1°
O12	P3	O11	H14	129.1°	60.0°
O11	P3	O12	H15	129.1°	59.9°
H	C5	C6	H1	144.2°	146.5°
H1	C6	C7	H2	34.0°	0.0°
H1	C6	O	H8	73.2°	61.2°
H2	C7	C8	H3	87.6°	146.4°
H3	C8	C9	H9	163.2°	67.3°
H3	C8	C9	H10	76.9°	172.7°

Release date:	2019-11-06
Definition date:	2019-05-06
Last modified:	2019-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	6OTT