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Summary Geometry Related PDB entries

ICN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C1	H13	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.54Å
C2	C4	sing	1.53Å	1.57Å
C2	H2	sing	1.09Å	1.11Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C3	H33	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.54Å
C4	O6	sing	1.43Å	1.43Å
C4	C7	sing	1.47Å	1.48Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C5	H53	sing	1.09Å	1.11Å
O6	H6	sing	0.97Å	0.95Å
C7	N8	trip	1.14Å	1.16Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	112.6°	109.5°
C2	C1	H12	108.5°	109.5°
C2	C1	H13	112.6°	109.4°
C1	C2	C3	108.4°	109.5°
C1	C2	C4	112.3°	109.5°
C1	C2	H2	108.9°	109.4°
H11	C1	H12	112.6°	109.5°
H11	C1	H13	97.8°	109.5°
H12	C1	H13	112.6°	109.5°
C3	C2	C4	111.3°	109.5°
C3	C2	H2	110.0°	109.5°
C2	C3	H31	112.6°	109.5°
C2	C3	H32	108.4°	109.5°
C2	C3	H33	112.6°	109.5°
C4	C2	H2	105.9°	109.5°
C2	C4	C5	113.9°	109.4°
C2	C4	O6	109.6°	109.5°
C2	C4	C7	111.3°	109.5°
H31	C3	H32	112.6°	109.5°
H31	C3	H33	97.8°	109.5°
H32	C3	H33	112.6°	109.4°
C5	C4	O6	105.9°	109.4°
C5	C4	C7	108.3°	109.5°
C4	C5	H51	110.6°	109.4°
C4	C5	H52	113.9°	109.5°
C4	C5	H53	110.6°	109.5°
O6	C4	C7	107.4°	109.5°
C4	O6	H6	109.7°	106.8°
C4	C7	N8	179.8°	180.0°
H51	C5	H52	110.6°	109.5°
H51	C5	H53	99.7°	109.5°
H52	C5	H53	110.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	123.0°	120.0°
C2	C1	H11	H13	118.5°	120.0°
C2	C1	H12	H13	125.3°	120.0°
C1	C2	C3	C4	124.0°	120.0°
C1	C2	C3	H2	119.0°	120.0°
C1	C2	C4	H2	118.8°	120.0°
C1	C2	C3	H31	54.7°	60.0°
C1	C2	C3	H32	180.0°	180.0°
C1	C2	C3	H33	54.7°	60.0°
C1	C2	C4	C5	53.2°	60.0°
C1	C2	C4	O6	171.7°	180.0°
C1	C2	C4	C7	69.6°	60.0°
H11	C1	H12	H13	109.4°	120.0°
H11	C1	C2	C3	54.7°	60.0°
H11	C1	C2	C4	178.1°	180.0°
H11	C1	C2	H2	64.9°	60.0°
H12	C1	C2	C3	180.0°	180.0°
H12	C1	C2	C4	56.6°	60.0°
H12	C1	C2	H2	60.4°	60.0°
H13	C1	C2	C3	54.7°	60.0°
H13	C1	C2	C4	68.6°	60.0°
H13	C1	C2	H2	174.4°	180.0°
C3	C2	C4	H2	119.5°	120.0°
C2	C3	H31	H32	123.0°	120.0°
C2	C3	H31	H33	118.5°	120.0°
C2	C3	H32	H33	125.3°	120.0°
C3	C2	C4	C5	68.5°	60.0°
C3	C2	C4	O6	49.9°	60.0°
C3	C2	C4	C7	168.7°	180.0°
C4	C2	C3	H31	69.3°	60.0°
C4	C2	C3	H32	56.0°	60.0°
C4	C2	C3	H33	178.7°	180.0°
C2	C4	C5	O6	120.6°	120.0°
C2	C4	C5	C7	124.4°	120.0°
C2	C4	O6	C7	121.1°	120.0°
C2	C4	C5	H51	54.8°	60.0°
C2	C4	C5	H52	180.0°	180.0°
C2	C4	C5	H53	54.7°	60.0°
C2	C4	O6	H6	180.0°	60.0°
C2	C4	C7	N8	102.8°	117.1°
H2	C2	C3	H31	173.7°	180.0°
H2	C2	C3	H32	61.0°	60.0°
H2	C2	C3	H33	64.3°	60.0°
H2	C2	C4	C5	172.0°	180.0°
H2	C2	C4	O6	69.5°	60.0°
H2	C2	C4	C7	49.2°	60.0°
H31	C3	H32	H33	109.4°	120.0°
C5	C4	O6	C7	115.6°	120.1°
C4	C5	H51	H52	127.1°	120.0°
C4	C5	H51	H53	116.4°	120.0°
C4	C5	H52	H53	125.3°	120.0°
C5	C4	O6	H6	56.7°	180.0°
C5	C4	C7	N8	23.2°	2.9°
O6	C4	C5	H51	175.3°	180.0°
O6	C4	C5	H52	59.4°	60.1°
O6	C4	C5	H53	65.9°	59.9°
O6	C4	C7	N8	137.2°	122.9°
C7	C4	C5	H51	69.7°	60.0°
C7	C4	C5	H52	55.6°	60.0°
C7	C4	C5	H53	179.1°	180.0°
C7	C4	O6	H6	58.9°	60.0°
H51	C5	H52	H53	109.4°	120.1°

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