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Summary Geometry Related PDB entries

XZ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	0.00Å	1.53Å
C2	C1	doub	0.00Å	1.40Å	Aromatic
C2	S	sing	0.00Å	1.70Å	Aromatic
C1	N	sing	0.00Å	1.42Å	Aromatic
O1	C7	doub	0.00Å	1.40Å
N	C7	sing	0.00Å	1.37Å
N	C3	doub	0.00Å	1.32Å	Aromatic
S	C3	sing	0.00Å	1.72Å	Aromatic
C7	C6	sing	0.00Å	1.39Å
C3	N1	sing	0.00Å	1.34Å
C6	C4	sing	0.00Å	1.40Å
N1	C4	doub	0.00Å	1.33Å
C4	C5	sing	0.00Å	1.53Å
C5	O	sing	0.00Å	1.40Å
C5	H1	sing	0.00Å	1.10Å
C5	H2	sing	0.00Å	1.10Å
C6	H3	sing	0.00Å	1.10Å
C6	H4	sing	0.00Å	1.10Å
C	H5	sing	0.00Å	1.10Å
C	H6	sing	0.00Å	1.10Å
C	H7	sing	0.00Å	1.10Å
O	H8	sing	0.00Å	0.95Å
C2	H9	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	119.1°	90.0°
C	C1	N	125.7°	90.0°
C1	C	H5	109.5°	90.0°
C1	C	H6	109.5°	90.0°
C1	C	H7	109.5°	90.0°
C1	C2	S	105.8°	90.0°
C2	C1	N	115.2°	90.0°
C1	C2	H9	127.1°	90.0°
C2	S	C3	96.4°	90.0°
S	C2	H9	127.1°	90.0°
C1	N	C7	127.6°	90.0°
C1	N	C3	113.5°	90.0°
O1	C7	N	123.7°	90.0°
O1	C7	C6	117.8°	90.0°
C7	N	C3	118.8°	90.0°
N	C7	C6	118.5°	90.0°
N	C3	S	109.2°	90.0°
N	C3	N1	124.0°	90.0°
S	C3	N1	126.9°	90.0°
C7	C6	C4	120.1°	90.0°
C7	C6	H3	106.8°	90.0°
C7	C6	H4	106.8°	90.0°
C3	N1	C4	120.1°	90.0°
C6	C4	N1	118.6°	90.0°
C6	C4	C5	120.9°	90.0°
C4	C6	H3	106.8°	90.0°
C4	C6	H4	106.8°	90.0°
N1	C4	C5	120.6°	90.0°
C4	C5	O	108.1°	90.0°
C4	C5	H1	109.8°	90.0°
C4	C5	H2	109.8°	90.0°
O	C5	H1	109.8°	90.0°
O	C5	H2	109.8°	90.0°
C5	O	H8	109.5°	90.0°
H1	C5	H2	109.5°	90.0°
H3	C6	H4	109.4°	90.0°
H5	C	H6	109.5°	90.0°
H5	C	H7	109.5°	90.0°
H6	C	H7	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N	180.0°	90.0°
C	C1	C2	S	179.9°	90.0°
C	C1	N	C7	0.0°	90.0°
C	C1	N	C3	180.0°	90.0°
C1	C	H5	H6	120.0°	90.0°
C1	C	H5	H7	120.0°	90.0°
C1	C	H6	H7	120.0°	90.0°
C	C1	C2	H9	0.1°	90.0°
C1	C2	S	H9	180.0°	90.0°
C2	C1	N	C7	180.0°	90.0°
C2	C1	N	C3	0.0°	90.0°
C1	C2	S	C3	0.1°	90.0°
C2	C1	C	H5	180.0°	90.0°
C2	C1	C	H6	60.0°	90.0°
C2	C1	C	H7	60.0°	90.0°
S	C2	C1	N	0.1°	90.0°
C2	S	C3	N	0.1°	90.0°
C2	S	C3	N1	179.9°	90.0°
C1	N	C7	O1	0.0°	90.0°
C1	N	C7	C3	180.0°	90.0°
C1	N	C3	S	0.0°	90.0°
C1	N	C7	C6	180.0°	90.0°
C1	N	C3	N1	180.0°	90.0°
N	C1	C	H5	0.1°	90.0°
N	C1	C	H6	120.1°	90.0°
N	C1	C	H7	120.0°	90.0°
N	C1	C2	H9	179.9°	90.0°
O1	C7	N	C6	180.0°	90.0°
O1	C7	N	C3	180.0°	90.0°
O1	C7	C6	C4	179.9°	90.0°
O1	C7	C6	H3	58.4°	90.0°
O1	C7	C6	H4	58.5°	90.0°
C7	N	C3	S	180.0°	90.0°
C7	N	C3	N1	0.0°	90.0°
N	C7	C6	C4	0.1°	90.0°
N	C7	C6	H3	121.6°	90.0°
N	C7	C6	H4	121.4°	90.0°
N	C3	S	N1	180.0°	90.0°
C3	N	C7	C6	0.0°	90.0°
N	C3	N1	C4	0.1°	90.0°
S	C3	N1	C4	179.9°	90.0°
C3	S	C2	H9	179.9°	90.0°
C7	C6	C4	H3	121.5°	90.0°
C7	C6	C4	H4	121.5°	90.0°
C7	C6	C4	N1	0.1°	90.0°
C7	C6	C4	C5	179.9°	90.0°
C7	C6	H3	H4	115.2°	90.0°
C3	N1	C4	C6	0.1°	90.0°
C3	N1	C4	C5	179.9°	90.0°
C6	C4	N1	C5	179.8°	90.0°
C6	C4	C5	O	98.8°	90.0°
C6	C4	C5	H1	141.4°	90.0°
C6	C4	C5	H2	21.0°	90.0°
C4	C6	H3	H4	115.2°	90.0°
N1	C4	C5	O	81.0°	90.0°
N1	C4	C5	H1	38.8°	90.0°
N1	C4	C5	H2	159.3°	90.0°
N1	C4	C6	H3	121.6°	90.0°
N1	C4	C6	H4	121.4°	90.0°
C4	C5	O	H1	119.8°	90.0°
C4	C5	O	H2	119.8°	90.0°
C4	C5	H1	H2	120.7°	90.0°
C5	C4	C6	H3	58.6°	90.0°
C5	C4	C6	H4	58.4°	90.0°
C4	C5	O	H8	180.0°	90.0°
O	C5	H1	H2	120.6°	90.0°
H1	C5	O	H8	60.3°	90.0°
H2	C5	O	H8	60.2°	90.0°
H5	C	H6	H7	120.0°	90.0°

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