N1Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C1	sing	1.74Å	1.70Å
C6	C1	doub	1.38Å	1.40Å	Aromatic
C6	C5	sing	1.39Å	1.42Å	Aromatic
C1	N1	sing	1.32Å	1.38Å	Aromatic
C5	C3	doub	1.39Å	1.43Å	Aromatic
N1	C2	doub	1.32Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.42Å	Aromatic
C3	C4	sing	1.51Å	1.53Å
C4	N2	sing	1.46Å	1.46Å
N2	C7	sing	1.38Å	1.40Å
N2	C10	sing	1.47Å	1.48Å
O2	N4	sing	1.22Å	1.23Å
C8	C7	doub	1.33Å	1.35Å
C8	N4	sing	1.48Å	1.45Å
C7	N3	sing	1.38Å	1.37Å
N4	O1	doub	1.22Å	1.25Å
C10	C9	sing	1.54Å	1.55Å
N3	C9	sing	1.47Å	1.44Å
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
N3	H7	sing	0.97Å	1.00Å
C9	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C1	C6	120.6°	119.6°
CL	C1	N1	115.3°	119.7°
C1	C6	C5	117.4°	119.2°
C6	C1	N1	124.1°	120.7°
C1	C6	H5	121.3°	120.4°
C6	C5	C3	121.2°	118.4°
C6	C5	H4	119.4°	120.8°
C5	C6	H5	121.3°	120.4°
C1	N1	C2	117.0°	121.7°
C5	C3	C2	116.3°	119.2°
C5	C3	C4	120.4°	120.4°
C3	C5	H4	119.4°	120.8°
N1	C2	C3	123.9°	120.8°
N1	C2	H1	118.0°	119.6°
C2	C3	C4	123.3°	120.4°
C3	C2	H1	118.1°	119.6°
C3	C4	N2	115.8°	109.5°
C3	C4	H2	107.8°	109.5°
C3	C4	H3	107.9°	109.4°
C4	N2	C7	130.4°	125.5°
C4	N2	C10	118.6°	125.5°
N2	C4	H2	107.9°	109.5°
N2	C4	H3	107.8°	109.5°
C7	N2	C10	111.0°	108.9°
N2	C7	C8	125.7°	123.9°
N2	C7	N3	107.6°	112.2°
N2	C10	C9	104.1°	105.0°
N2	C10	H9	110.8°	110.4°
N2	C10	H11	110.8°	110.3°
O2	N4	C8	114.5°	120.0°
O2	N4	O1	124.4°	120.0°
C7	C8	N4	124.1°	120.0°
C8	C7	N3	126.7°	123.9°
C7	C8	H6	118.0°	120.0°
C8	N4	O1	121.2°	120.0°
N4	C8	H6	118.0°	120.0°
C7	N3	C9	114.1°	108.9°
C7	N3	H7	108.3°	125.5°
C10	C9	N3	103.3°	104.9°
C10	C9	H8	111.0°	110.5°
C9	C10	H9	110.8°	110.4°
C10	C9	H10	111.0°	110.3°
C9	C10	H11	110.8°	110.3°
N3	C9	H8	111.0°	110.3°
C9	N3	H7	108.3°	125.5°
N3	C9	H10	111.0°	110.4°
H2	C4	H3	109.5°	109.5°
H8	C9	H10	109.5°	110.3°
H9	C10	H11	109.4°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C1	C6	N1	179.7°	179.6°
CL	C1	C6	C5	179.5°	179.8°
CL	C1	N1	C2	179.4°	179.9°
CL	C1	C6	H5	0.5°	0.1°
C1	C6	C5	H5	180.0°	179.7°
C1	C6	C5	C3	0.0°	0.6°
C6	C1	N1	C2	0.3°	0.3°
C1	C6	C5	H4	180.0°	179.7°
C5	C6	C1	N1	0.3°	0.6°
C6	C5	C3	H4	180.0°	179.7°
C6	C5	C3	C2	0.2°	0.3°
C6	C5	C3	C4	179.3°	179.7°
C1	N1	C2	C3	0.1°	0.0°
C1	N1	C2	H1	179.9°	180.0°
N1	C1	C6	H5	179.7°	179.7°
C5	C3	C2	N1	0.1°	0.1°
C5	C3	C2	C4	179.4°	179.9°
C5	C3	C4	N2	121.9°	90.0°
C5	C3	C2	H1	179.8°	180.0°
C5	C3	C4	H2	0.9°	30.0°
C5	C3	C4	H3	117.2°	150.0°
C3	C5	C6	H5	180.0°	179.7°
N1	C2	C3	H1	180.0°	180.0°
N1	C2	C3	C4	179.3°	180.0°
C2	C3	C4	N2	58.7°	90.0°
C2	C3	C4	H2	179.7°	150.0°
C2	C3	C4	H3	62.2°	30.0°
C2	C3	C5	H4	179.8°	180.0°
C3	C4	N2	H2	120.9°	120.0°
C3	C4	N2	H3	120.9°	120.0°
C3	C4	N2	C7	76.8°	90.0°
C3	C4	N2	C10	103.3°	90.3°
C4	C3	C2	H1	0.7°	0.0°
C3	C4	H2	H3	117.1°	120.0°
C4	C3	C5	H4	0.7°	0.0°
C4	N2	C7	C10	179.8°	179.7°
C4	N2	C7	C8	0.1°	0.0°
C4	N2	C7	N3	179.9°	180.0°
C4	N2	C10	C9	180.0°	180.0°
N2	C4	H2	H3	117.1°	120.1°
C4	N2	C10	H9	60.8°	61.1°
C4	N2	C10	H11	60.9°	61.2°
N2	C7	C8	N3	179.9°	180.0°
N2	C7	C8	N4	179.9°	180.0°
C7	N2	C10	C9	0.1°	0.3°
N2	C7	N3	C9	0.1°	0.0°
C7	N2	C4	H2	44.1°	30.0°
C7	N2	C4	H3	162.2°	150.0°
N2	C7	C8	H6	0.1°	0.1°
C7	N2	C10	H9	119.0°	118.6°
N2	C7	N3	H7	120.6°	180.0°
C7	N2	C10	H11	119.3°	119.1°
C10	N2	C7	C8	179.9°	179.7°
C10	N2	C7	N3	0.1°	0.2°
N2	C10	C9	H9	119.2°	118.9°
N2	C10	C9	H11	119.1°	118.8°
N2	C10	C9	N3	0.1°	0.3°
C10	N2	C4	H2	135.7°	149.7°
C10	N2	C4	H3	17.6°	29.7°
N2	C10	C9	H8	119.1°	118.6°
N2	C10	H9	H11	122.5°	122.2°
N2	C10	C9	H10	118.9°	119.2°
O2	N4	C8	C7	179.9°	180.0°
O2	N4	C8	O1	179.9°	180.0°
O2	N4	C8	H6	0.2°	0.1°
C7	C8	N4	H6	180.0°	179.9°
C7	C8	N4	O1	0.0°	0.1°
C8	C7	N3	C9	180.0°	179.9°
C8	C7	N3	H7	59.3°	0.0°
N4	C8	C7	N3	0.0°	0.0°
C7	N3	C9	C10	0.0°	0.2°
C7	N3	C9	H7	120.7°	180.0°
N3	C7	C8	H6	179.9°	180.0°
C7	N3	C9	H8	119.0°	118.9°
C7	N3	C9	H10	119.0°	119.0°
O1	N4	C8	H6	179.9°	180.0°
C10	C9	N3	H8	119.0°	119.0°
C10	C9	N3	H10	119.0°	118.8°
C10	C9	H8	H10	122.9°	122.2°
C9	C10	H9	H11	122.5°	122.2°
C10	C9	N3	H7	120.7°	179.8°
N3	C9	H8	H10	122.9°	122.2°
N3	C9	C10	H9	119.1°	118.6°
N3	C9	C10	H11	119.2°	119.1°
H4	C5	C6	H5	0.0°	0.0°
H8	C9	C10	H9	0.1°	122.5°
H8	C9	N3	H7	120.3°	61.2°
H8	C9	C10	H11	121.8°	0.2°
H9	C10	C9	H10	121.9°	0.2°
H7	N3	C9	H10	1.7°	61.0°
H10	C9	C10	H11	0.2°	122.0°

Release date:	2015-02-04
Definition date:	2014-04-21
Last modified:	2015-01-30
Release status:	REL
Processing site:	PDBJ
Derived from:	3WTL