M65

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	doub	1.35Å	1.34Å	Aromatic
C2	N1	sing	1.34Å	1.38Å	Aromatic
C3	N2	sing	1.37Å	1.38Å	Aromatic
N1	C1	doub	1.31Å	1.31Å	Aromatic
N2	C1	sing	1.35Å	1.34Å	Aromatic
N2	C4	sing	1.46Å	1.45Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.50Å
C6	C7	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.49Å
C7	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.50Å
C11	O2	sing	1.45Å	1.47Å
O2	C10	sing	1.34Å	1.33Å
C10	C9	sing	1.51Å	1.51Å
C10	O1	doub	1.21Å	1.19Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å
C4	H15	sing	1.09Å	1.10Å
C4	H16	sing	1.09Å	1.10Å
C1	H17	sing	1.08Å	1.08Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N1	110.2°	108.1°
C2	C3	N2	105.9°	106.8°
C3	C2	H9	124.9°	126.0°
C2	C3	H14	127.1°	126.6°
C2	N1	C1	105.4°	109.2°
N1	C2	H9	124.9°	126.0°
C3	N2	C1	107.1°	107.2°
C3	N2	C4	126.0°	126.4°
N2	C3	H14	127.1°	126.6°
N1	C1	N2	111.4°	108.7°
N1	C1	H17	124.3°	125.6°
C1	N2	C4	126.9°	126.4°
N2	C1	H17	124.3°	125.7°
N2	C4	C5	110.2°	109.5°
N2	C4	H15	109.3°	109.5°
N2	C4	H16	109.3°	109.5°
C4	C5	C6	114.4°	109.5°
C4	C5	H12	108.2°	109.5°
C4	C5	H13	108.2°	109.5°
C5	C4	H15	109.3°	109.4°
C5	C4	H16	109.3°	109.5°
C5	C6	C7	114.4°	109.5°
C5	C6	H10	108.2°	109.5°
C5	C6	H11	108.2°	109.5°
C6	C5	H12	108.2°	109.5°
C6	C5	H13	108.2°	109.4°
C6	C7	C8	112.2°	109.5°
C6	C7	H7	108.8°	109.5°
C6	C7	H8	108.8°	109.4°
C7	C6	H10	108.2°	109.5°
C7	C6	H11	108.2°	109.4°
C12	C11	O2	111.3°	109.5°
C12	C11	H1	109.0°	109.5°
C12	C11	H2	109.0°	109.5°
C11	C12	H18	109.5°	109.5°
C11	C12	H19	109.5°	109.4°
C11	C12	H20	109.5°	109.5°
C7	C8	C9	113.6°	109.5°
C7	C8	H5	108.4°	109.5°
C7	C8	H6	108.4°	109.5°
C8	C7	H7	108.8°	109.5°
C8	C7	H8	108.8°	109.5°
C8	C9	C10	113.5°	109.5°
C8	C9	H3	108.5°	109.4°
C8	C9	H4	108.5°	109.5°
C9	C8	H5	108.4°	109.5°
C9	C8	H6	108.4°	109.5°
C11	O2	C10	115.4°	117.0°
O2	C11	H1	109.1°	109.4°
O2	C11	H2	109.0°	109.5°
O2	C10	C9	112.7°	120.0°
O2	C10	O1	122.2°	120.0°
C9	C10	O1	125.1°	120.0°
C10	C9	H3	108.5°	109.5°
C10	C9	H4	108.4°	109.5°
H1	C11	H2	109.5°	109.5°
H3	C9	H4	109.5°	109.5°
H5	C8	H6	109.5°	109.5°
H7	C7	H8	109.5°	109.5°
H10	C6	H11	109.5°	109.5°
H12	C5	H13	109.4°	109.5°
H15	C4	H16	109.5°	109.5°
H18	C12	H19	109.5°	109.4°
H18	C12	H20	109.5°	109.5°
H19	C12	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	H9	180.0°	179.8°
C2	C3	N2	H14	180.0°	179.9°
C3	C2	N1	C1	1.8°	0.0°
C2	C3	N2	C1	0.2°	0.0°
C2	C3	N2	C4	179.7°	180.0°
N1	C2	C3	N2	1.0°	0.0°
C2	N1	C1	N2	1.9°	0.0°
N1	C2	C3	H14	179.0°	179.9°
C2	N1	C1	H17	178.1°	180.0°
C3	N2	C1	N1	1.3°	0.0°
C3	N2	C1	C4	179.5°	180.0°
C3	N2	C4	C5	107.1°	90.0°
N2	C3	C2	H9	179.0°	179.8°
C3	N2	C4	H15	132.8°	30.0°
C3	N2	C4	H16	13.0°	150.0°
C3	N2	C1	H17	178.7°	180.0°
N1	C1	N2	H17	180.0°	180.0°
N1	C1	N2	C4	179.1°	180.0°
C1	N1	C2	H9	178.2°	179.8°
C1	N2	C4	C5	73.4°	90.0°
C1	N2	C3	H14	179.8°	180.0°
C1	N2	C4	H15	46.7°	150.0°
C1	N2	C4	H16	166.5°	30.0°
N2	C4	C5	H15	120.1°	120.0°
N2	C4	C5	H16	120.1°	120.0°
N2	C4	C5	C6	68.4°	180.0°
N2	C4	C5	H12	52.3°	60.0°
N2	C4	C5	H13	170.8°	60.0°
C4	N2	C3	H14	0.3°	0.0°
N2	C4	H15	H16	119.7°	120.0°
C4	N2	C1	H17	0.8°	0.0°
C4	C5	C6	H12	120.8°	120.0°
C4	C5	C6	H13	120.8°	120.0°
C4	C5	C6	C7	161.3°	180.0°
C4	C5	C6	H10	40.6°	60.0°
C4	C5	C6	H11	78.0°	60.0°
C4	C5	H12	H13	117.7°	120.1°
C5	C4	H15	H16	119.7°	120.0°
C5	C6	C7	H10	120.7°	120.0°
C5	C6	C7	H11	120.7°	120.0°
C5	C6	C7	C8	178.9°	180.0°
C5	C6	C7	H7	60.7°	60.0°
C5	C6	C7	H8	58.5°	60.0°
C5	C6	H10	H11	117.8°	120.0°
C6	C5	H12	H13	117.7°	119.9°
C6	C5	C4	H15	171.5°	60.0°
C6	C5	C4	H16	51.6°	60.0°
C6	C7	C8	H7	120.4°	120.1°
C6	C7	C8	H8	120.4°	119.9°
C6	C7	C8	C9	172.6°	180.0°
C6	C7	C8	H5	51.9°	60.0°
C6	C7	C8	H6	66.8°	60.1°
C6	C7	H7	H8	118.8°	120.0°
C7	C6	H10	H11	117.7°	120.0°
C7	C6	C5	H12	78.0°	60.0°
C7	C6	C5	H13	40.5°	60.0°
C12	C11	O2	H1	120.3°	120.0°
C12	C11	O2	H2	120.2°	120.0°
C12	C11	O2	C10	79.0°	179.9°
C12	C11	H1	H2	119.2°	120.0°
C11	C12	H18	H19	120.0°	120.0°
C11	C12	H18	H20	120.0°	120.0°
C11	C12	H19	H20	120.0°	120.0°
C7	C8	C9	H5	120.6°	120.0°
C7	C8	C9	H6	120.6°	120.0°
C7	C8	C9	C10	49.9°	180.0°
C7	C8	C9	H3	170.5°	60.0°
C7	C8	C9	H4	70.7°	60.0°
C7	C8	H5	H6	118.1°	120.0°
C8	C7	H7	H8	118.7°	120.0°
C8	C7	C6	H10	58.2°	60.0°
C8	C7	C6	H11	60.4°	60.0°
C8	C9	C10	O2	64.8°	179.9°
C8	C9	C10	H3	120.6°	120.0°
C8	C9	C10	H4	120.6°	120.0°
C8	C9	C10	O1	115.8°	0.0°
C8	C9	H3	H4	118.2°	120.0°
C9	C8	H5	H6	118.1°	120.0°
C9	C8	C7	H7	67.1°	60.0°
C9	C8	C7	H8	52.1°	60.0°
C11	O2	C10	C9	178.8°	180.0°
C11	O2	C10	O1	1.7°	0.1°
O2	C11	H1	H2	119.2°	120.0°
O2	C11	C12	H18	180.0°	60.0°
O2	C11	C12	H19	60.0°	60.0°
O2	C11	C12	H20	60.0°	180.0°
O2	C10	C9	O1	179.5°	179.9°
C10	O2	C11	H1	41.3°	60.0°
C10	O2	C11	H2	160.8°	60.0°
O2	C10	C9	H3	55.8°	60.0°
O2	C10	C9	H4	174.6°	60.1°
C10	C9	H3	H4	118.2°	120.0°
C10	C9	C8	H5	70.7°	60.0°
C10	C9	C8	H6	170.5°	60.0°
O1	C10	C9	H3	123.7°	119.9°
O1	C10	C9	H4	4.8°	120.0°
H1	C11	C12	H18	59.7°	60.0°
H1	C11	C12	H19	60.3°	179.9°
H1	C11	C12	H20	179.7°	60.1°
H2	C11	C12	H18	59.7°	180.0°
H2	C11	C12	H19	179.8°	60.1°
H2	C11	C12	H20	60.3°	60.0°
H3	C9	C8	H5	49.9°	180.0°
H3	C9	C8	H6	68.9°	60.0°
H4	C9	C8	H5	168.7°	60.0°
H4	C9	C8	H6	49.9°	NaN°
H5	C8	C7	H7	172.3°	180.0°
H5	C8	C7	H8	68.5°	60.0°
H6	C8	C7	H7	53.6°	60.0°
H6	C8	C7	H8	172.7°	180.0°
H7	C7	C6	H10	178.6°	180.0°
H7	C7	C6	H11	60.1°	60.0°
H8	C7	C6	H10	62.2°	60.0°
H8	C7	C6	H11	179.2°	180.0°
H9	C2	C3	H14	1.0°	0.2°
H10	C6	C5	H12	161.3°	180.0°
H10	C6	C5	H13	80.2°	60.0°
H11	C6	C5	H12	42.8°	60.0°
H11	C6	C5	H13	161.2°	180.0°
H12	C5	C4	H15	67.8°	180.0°
H12	C5	C4	H16	172.4°	60.0°
H13	C5	C4	H15	50.7°	60.0°
H13	C5	C4	H16	69.1°	180.0°
H18	C12	H19	H20	120.0°	120.0°

Release date:	2020-10-14
Definition date:	2019-10-03
Last modified:	2020-10-09
Release status:	REL
Processing site:	PDBE
Derived from:	6T0K