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Summary Geometry Related PDB entries

A1AL2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	N1	sing	1.42Å	1.39Å
O10	C4	doub	1.21Å	1.26Å
O11	C4	sing	1.34Å	1.25Å
C4	C3	sing	1.51Å	1.53Å
C3	C1	sing	1.53Å	1.54Å
N1	C7	doub	1.28Å	1.27Å
C6	C7	sing	1.51Å	1.51Å
C6	S5	sing	1.81Å	1.76Å
C1	S5	sing	1.81Å	1.78Å
C1	C2	sing	1.51Å	1.51Å
C2	O9	doub	1.21Å	1.26Å
C2	O8	sing	1.34Å	1.26Å
C1	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
O2	H7	sing	0.97Å	0.95Å
O11	H8	sing	0.97Å	0.95Å
O8	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	N1	C7	122.3°	120.0°
N1	O2	H7	109.5°	114.0°
O10	C4	O11	121.5°	120.0°
O10	C4	C3	120.3°	120.0°
O11	C4	C3	118.2°	120.0°
C4	O11	H8	109.5°	117.0°
C4	C3	C1	118.0°	109.5°
C4	C3	H2	107.3°	109.5°
C4	C3	H3	107.3°	109.5°
C3	C1	S5	111.1°	109.5°
C3	C1	C2	112.6°	109.5°
C3	C1	H1	109.0°	109.4°
C1	C3	H2	107.3°	109.4°
C1	C3	H3	107.3°	109.4°
N1	C7	C6	122.7°	120.0°
N1	C7	H6	118.6°	120.0°
C7	C6	S5	111.4°	109.5°
C7	C6	H4	109.0°	109.4°
C7	C6	H5	109.0°	109.5°
C6	C7	H6	118.6°	120.0°
C6	S5	C1	113.0°	103.0°
S5	C6	H4	109.0°	109.5°
S5	C6	H5	109.0°	109.5°
S5	C1	C2	108.1°	109.4°
S5	C1	H1	106.4°	109.5°
C1	C2	O9	118.0°	120.0°
C1	C2	O8	118.8°	120.0°
C2	C1	H1	109.4°	109.5°
O9	C2	O8	123.2°	120.0°
C2	O8	H9	109.5°	117.1°
H2	C3	H3	109.5°	109.5°
H4	C6	H5	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	N1	C7	C6	0.1°	0.1°
O2	N1	C7	H6	179.9°	180.0°
O10	C4	O11	C3	177.7°	179.9°
O10	C4	C3	C1	97.5°	0.1°
O10	C4	C3	H2	23.7°	119.9°
O10	C4	C3	H3	141.2°	120.0°
O10	C4	O11	H8	0.0°	0.1°
O11	C4	C3	C1	84.7°	179.9°
O11	C4	C3	H2	154.1°	60.0°
O11	C4	C3	H3	36.5°	60.1°
C4	C3	C1	H2	121.2°	120.0°
C4	C3	C1	H3	121.2°	120.0°
C4	C3	C1	S5	170.5°	65.0°
C4	C3	C1	C2	49.0°	175.0°
C4	C3	C1	H1	72.5°	55.0°
C4	C3	H2	H3	116.1°	120.0°
C3	C4	O11	H8	177.8°	180.0°
C3	C1	S5	C6	44.8°	175.0°
C3	C1	S5	C2	124.1°	120.0°
C3	C1	S5	H1	118.6°	120.0°
C3	C1	C2	H1	121.4°	120.0°
C3	C1	C2	O9	99.0°	130.0°
C3	C1	C2	O8	81.5°	50.0°
C1	C3	H2	H3	116.2°	120.0°
N1	C7	C6	H6	180.0°	179.9°
N1	C7	C6	S5	163.7°	124.9°
N1	C7	C6	H4	43.4°	115.1°
N1	C7	C6	H5	76.0°	4.9°
C7	N1	O2	H7	180.0°	180.0°
C7	C6	S5	H4	120.3°	120.0°
C7	C6	S5	H5	120.3°	120.1°
C7	C6	S5	C1	173.2°	180.0°
C7	C6	H4	H5	119.1°	120.0°
C6	S5	C1	C2	168.9°	65.0°
C6	S5	C1	H1	73.7°	55.0°
S5	C6	H4	H5	119.1°	120.0°
S5	C6	C7	H6	16.3°	55.0°
S5	C1	C2	H1	115.5°	120.0°
S5	C1	C2	O9	24.2°	110.0°
S5	C1	C2	O8	155.3°	70.0°
S5	C1	C3	H2	68.3°	175.0°
S5	C1	C3	H3	49.3°	55.0°
C1	S5	C6	H4	52.9°	60.0°
C1	S5	C6	H5	66.5°	60.0°
C1	C2	O9	O8	179.5°	180.0°
C2	C1	C3	H2	170.2°	55.0°
C2	C1	C3	H3	72.2°	65.0°
C1	C2	O8	H9	179.5°	180.0°
O9	C2	C1	H1	139.7°	10.0°
O9	C2	O8	H9	0.0°	0.0°
O8	C2	C1	H1	39.9°	170.0°
H1	C1	C3	H2	48.7°	65.0°
H1	C1	C3	H3	166.2°	175.0°
H4	C6	C7	H6	136.6°	65.0°
H5	C6	C7	H6	104.0°	175.0°

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