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Summary Geometry Related PDB entries

MOR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.43Å	1.49Å
O1	C6	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.48Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	N4	sing	1.47Å	1.45Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
N4	C5	sing	1.47Å	1.41Å
N4	C	sing	1.35Å	1.37Å
C5	C6	sing	1.53Å	1.51Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C	O	doub	1.22Å	1.26Å
C	O3	sing	1.35Å	1.43Å
O3	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	C6	111.0°	114.1°
O1	C2	C3	107.1°	109.3°
O1	C2	H21	110.3°	109.5°
O1	C2	H22	110.3°	109.5°
O1	C6	C5	107.8°	109.2°
O1	C6	H61	110.0°	109.5°
O1	C6	H62	110.0°	109.5°
C3	C2	H21	110.3°	109.6°
C3	C2	H22	110.3°	109.5°
C2	C3	N4	109.3°	108.3°
C2	C3	H31	109.5°	109.7°
C2	C3	H32	109.5°	109.7°
H21	C2	H22	108.6°	109.5°
N4	C3	H31	109.5°	109.6°
N4	C3	H32	109.5°	109.7°
C3	N4	C5	122.0°	118.0°
C3	N4	C	123.5°	121.0°
H31	C3	H32	109.4°	109.8°
C5	N4	C	114.5°	121.0°
N4	C5	C6	116.1°	108.4°
N4	C5	H51	107.3°	109.7°
N4	C5	H52	107.3°	109.7°
N4	C	O	117.3°	120.0°
N4	C	O3	121.3°	120.0°
C6	C5	H51	107.3°	109.7°
C6	C5	H52	107.3°	109.7°
C5	C6	H61	110.0°	109.5°
C5	C6	H62	110.0°	109.5°
H51	C5	H52	111.5°	109.7°
H61	C6	H62	108.9°	109.6°
O	C	O3	121.4°	120.0°
C	O3	H9	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	H21	120.0°	120.0°
O1	C2	C3	H22	120.0°	119.9°
O1	C2	H21	H22	120.9°	120.0°
O1	C2	C3	N4	54.5°	52.4°
O1	C2	C3	H31	65.6°	172.0°
O1	C2	C3	H32	174.5°	67.3°
C2	O1	C6	C5	60.3°	62.6°
C2	O1	C6	H61	59.7°	177.5°
C2	O1	C6	H62	179.7°	57.3°
C6	O1	C2	C3	70.8°	62.6°
C6	O1	C2	H21	169.2°	57.4°
C6	O1	C2	H22	49.3°	177.5°
O1	C6	C5	N4	39.1°	52.3°
O1	C6	C5	H61	120.0°	119.9°
O1	C6	C5	H62	120.0°	119.9°
O1	C6	C5	H51	80.9°	172.0°
O1	C6	C5	H52	159.1°	67.4°
O1	C6	H61	H62	120.7°	120.1°
C3	C2	H21	H22	121.0°	120.1°
C2	C3	N4	H31	120.0°	119.7°
C2	C3	N4	H32	120.0°	119.7°
C2	C3	H31	H32	120.0°	120.6°
C2	C3	N4	C5	38.1°	50.6°
C2	C3	N4	C	142.7°	129.5°
H21	C2	C3	N4	174.5°	67.6°
H21	C2	C3	H31	54.4°	52.0°
H21	C2	C3	H32	65.5°	172.7°
H22	C2	C3	N4	65.6°	172.2°
H22	C2	C3	H31	174.4°	68.1°
H22	C2	C3	H32	54.4°	52.5°
N4	C3	H31	H32	120.1°	120.5°
C3	N4	C5	C	179.3°	179.9°
C3	N4	C5	C6	30.4°	50.6°
C3	N4	C5	H51	89.6°	170.3°
C3	N4	C5	H52	150.4°	69.2°
C3	N4	C	O	178.2°	0.1°
C3	N4	C	O3	1.9°	180.0°
H31	C3	N4	C5	81.9°	170.3°
H31	C3	N4	C	97.3°	9.8°
H32	C3	N4	C5	158.0°	69.1°
H32	C3	N4	C	22.7°	110.8°
N4	C5	C6	H51	120.0°	119.7°
N4	C5	C6	H52	120.0°	119.7°
N4	C5	H51	H52	117.3°	120.5°
N4	C5	C6	H61	80.9°	172.3°
N4	C5	C6	H62	159.1°	67.6°
C5	N4	C	O	1.1°	180.0°
C5	N4	C	O3	178.8°	0.0°
C	N4	C5	C6	150.3°	129.5°
C	N4	C5	H51	89.7°	9.8°
C	N4	C5	H52	30.3°	110.8°
N4	C	O	O3	180.0°	179.9°
N4	C	O3	H9	180.0°	180.0°
C6	C5	H51	H52	117.3°	120.6°
C5	C6	H61	H62	120.6°	120.1°
H51	C5	C6	H61	159.1°	68.1°
H51	C5	C6	H62	39.1°	52.1°
H52	C5	C6	H61	39.1°	52.5°
H52	C5	C6	H62	80.9°	172.7°
O	C	O3	H9	0.0°	0.0°

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