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Summary Geometry Related PDB entries

M1M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S03	C02	sing	1.81Å	1.78Å
C02	S01	sing	1.81Å	1.77Å
C02	H2	sing	1.09Å	1.10Å
C02	H3	sing	1.09Å	1.10Å
S01	S11	sing	2.05Å	57.49Å
S11	O12	doub	1.42Å	0.00Å
S11	O11	doub	1.42Å	0.00Å
S11	C13	sing	1.81Å	0.00Å
S03	S31	sing	2.05Å	56.95Å
S31	O31	doub	1.42Å	0.00Å
S31	O32	doub	1.42Å	0.00Å
S31	C33	sing	1.81Å	0.00Å
C13	H1	sing	1.09Å	0.00Å
C13	H4	sing	1.09Å	0.00Å
C13	H5	sing	1.09Å	0.00Å
C33	H6	sing	1.09Å	0.00Å
C33	H7	sing	1.09Å	0.00Å
C33	H8	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S03	C02	S01	110.2°	109.5°
S03	C02	H2	109.3°	109.5°
S03	C02	H3	109.3°	109.5°
C02	S03	S31	114.8°	103.0°
S01	C02	H2	109.3°	109.4°
S01	C02	H3	109.3°	109.5°
C02	S01	S11	96.6°	103.0°
H2	C02	H3	109.5°	109.5°
S01	S11	O12	90.0°	104.3°
S01	S11	O11	90.0°	104.3°
S01	S11	C13	90.0°	104.5°
O12	S11	O11	90.0°	121.0°
O12	S11	C13	90.0°	110.5°
O11	S11	C13	90.0°	110.5°
S11	C13	H1	90.0°	109.4°
S11	C13	H4	90.0°	109.5°
S11	C13	H5	90.0°	109.4°
S03	S31	O31	90.0°	104.2°
S03	S31	O32	90.0°	104.3°
S03	S31	C33	90.0°	104.5°
O31	S31	O32	90.0°	121.0°
O31	S31	C33	90.0°	110.5°
O32	S31	C33	90.0°	110.6°
S31	C33	H6	90.0°	109.4°
S31	C33	H7	90.0°	109.4°
S31	C33	H8	90.0°	109.4°
H1	C13	H4	90.0°	109.5°
H1	C13	H5	90.0°	109.5°
H4	C13	H5	90.0°	109.5°
H6	C33	H7	90.0°	109.5°
H6	C33	H8	90.0°	109.5°
H7	C33	H8	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S03	C02	S01	H2	120.1°	120.0°
S03	C02	S01	H3	120.1°	120.0°
S03	C02	H2	H3	119.7°	120.0°
S03	C02	S01	S11	57.8°	75.0°
C02	S03	S31	O31	90.0°	169.0°
C02	S03	S31	O32	90.0°	41.1°
C02	S03	S31	C33	90.0°	75.0°
S01	C02	H2	H3	119.6°	120.0°
C02	S01	S11	O12	90.0°	168.9°
C02	S01	S11	O11	90.0°	41.1°
C02	S01	S11	C13	90.0°	75.0°
S01	C02	S03	S31	69.1°	75.0°
H2	C02	S01	S11	62.3°	165.0°
H2	C02	S03	S31	51.0°	45.0°
H3	C02	S01	S11	177.9°	45.0°
H3	C02	S03	S31	170.8°	165.0°
S01	S11	O12	O11	90.0°	116.8°
S01	S11	O12	C13	90.0°	111.7°
S01	S11	O11	C13	90.0°	111.7°
S01	S11	C13	H1	90.0°	60.0°
S01	S11	C13	H4	90.0°	180.0°
S01	S11	C13	H5	90.0°	60.0°
O12	S11	O11	C13	90.0°	131.5°
O12	S11	C13	H1	90.0°	51.6°
O12	S11	C13	H4	90.0°	68.4°
O12	S11	C13	H5	90.0°	171.6°
O11	S11	C13	H1	90.0°	171.6°
O11	S11	C13	H4	90.0°	68.4°
O11	S11	C13	H5	90.0°	51.6°
S11	C13	H1	H4	90.0°	120.0°
S11	C13	H1	H5	90.0°	120.0°
S11	C13	H4	H5	90.0°	120.0°
S03	S31	O31	O32	90.0°	116.7°
S03	S31	O31	C33	90.0°	111.7°
S03	S31	O32	C33	90.0°	111.8°
S03	S31	C33	H6	90.0°	60.0°
S03	S31	C33	H7	90.0°	180.0°
S03	S31	C33	H8	90.0°	60.0°
O31	S31	O32	C33	90.0°	131.5°
O31	S31	C33	H6	90.0°	51.6°
O31	S31	C33	H7	90.0°	68.4°
O31	S31	C33	H8	90.0°	171.6°
O32	S31	C33	H6	90.0°	171.6°
O32	S31	C33	H7	90.0°	68.4°
O32	S31	C33	H8	90.0°	51.6°
S31	C33	H6	H7	90.0°	120.0°
S31	C33	H6	H8	90.0°	120.0°
S31	C33	H7	H8	90.0°	120.0°
H1	C13	H4	H5	90.0°	120.0°
H6	C33	H7	H8	90.0°	120.1°

219140

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