JP9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	S1	doub	0.00Å	1.45Å
O8	C5	sing	0.00Å	1.40Å
O11	S1	doub	0.00Å	1.46Å
S1	O10	sing	0.00Å	1.46Å
S1	C6	sing	0.00Å	1.84Å
O5	P1	doub	0.00Å	1.46Å
C5	C6	sing	0.00Å	1.63Å
C5	C4	sing	0.00Å	1.61Å
P1	O4	sing	0.00Å	1.49Å
P1	O3	sing	0.00Å	1.52Å
P1	O2	sing	0.00Å	1.60Å
C4	C3	sing	0.00Å	1.57Å
C4	O7	sing	0.00Å	1.42Å
C3	O6	sing	0.00Å	1.41Å
C3	C1	sing	0.00Å	1.49Å
O2	C2	sing	0.00Å	1.45Å
C2	C1	sing	0.00Å	1.53Å
C1	O1	doub	0.00Å	1.26Å
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.10Å
C5	H5	sing	0.00Å	1.10Å
C6	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
O3	H8	sing	0.00Å	0.95Å
O4	H9	sing	0.00Å	0.95Å
O6	H10	sing	0.00Å	0.95Å
O7	H11	sing	0.00Å	0.95Å
O8	H12	sing	0.00Å	0.95Å
O10	H13	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	S1	O11	112.5°	90.0°
O9	S1	O10	110.5°	90.0°
O9	S1	C6	101.8°	90.0°
O8	C5	C6	102.2°	90.0°
O8	C5	C4	103.2°	90.0°
O8	C5	H5	108.7°	90.0°
C5	O8	H12	109.5°	90.0°
O11	S1	O10	109.7°	90.0°
O11	S1	C6	112.0°	90.0°
O10	S1	C6	110.2°	90.0°
S1	O10	H13	109.5°	90.0°
S1	C6	C5	115.3°	90.0°
S1	C6	H6	108.0°	90.0°
S1	C6	H7	108.0°	90.0°
O5	P1	O4	111.6°	90.0°
O5	P1	O3	113.6°	90.0°
O5	P1	O2	105.6°	90.0°
C6	C5	C4	129.3°	90.0°
C6	C5	H5	106.0°	90.0°
C5	C6	H6	108.0°	90.0°
C5	C6	H7	108.0°	90.0°
C5	C4	C3	122.3°	90.0°
C5	C4	O7	110.9°	90.0°
C5	C4	H4	103.8°	90.0°
C4	C5	H5	106.3°	90.0°
O4	P1	O3	107.4°	90.0°
O4	P1	O2	109.1°	90.0°
P1	O4	H9	109.5°	90.0°
O3	P1	O2	109.4°	90.0°
P1	O3	H8	109.5°	90.0°
P1	O2	C2	125.0°	90.0°
C3	C4	O7	108.5°	90.0°
C4	C3	O6	130.8°	90.0°
C4	C3	C1	101.8°	90.0°
C4	C3	H3	108.1°	90.0°
C3	C4	H4	104.1°	90.0°
O7	C4	H4	105.6°	90.0°
C4	O7	H11	109.5°	90.0°
O6	C3	C1	93.8°	90.0°
O6	C3	H3	110.2°	90.0°
C3	O6	H10	109.5°	90.0°
C3	C1	C2	115.2°	90.0°
C3	C1	O1	116.3°	90.0°
C1	C3	H3	109.1°	90.0°
O2	C2	C1	114.7°	90.0°
O2	C2	H1	108.1°	90.0°
O2	C2	H2	108.1°	90.0°
C2	C1	O1	128.4°	90.0°
C1	C2	H1	108.1°	90.0°
C1	C2	H2	108.2°	90.0°
H1	C2	H2	109.5°	90.0°
H6	C6	H7	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	S1	O11	O10	123.4°	90.0°
O9	S1	O11	C6	113.9°	90.0°
O9	S1	O10	C6	111.7°	90.0°
O9	S1	C6	C5	24.0°	90.0°
O9	S1	C6	H6	96.8°	90.0°
O9	S1	C6	H7	144.9°	90.0°
O9	S1	O10	H13	124.6°	90.0°
O8	C5	C6	S1	91.4°	90.0°
O8	C5	C6	C4	118.5°	90.0°
O8	C5	C6	H5	113.7°	90.0°
O8	C5	C4	H5	114.3°	90.0°
O8	C5	C4	C3	100.9°	90.0°
O8	C5	C4	O7	128.9°	90.0°
O8	C5	C4	H4	15.9°	90.0°
O8	C5	C6	H6	29.5°	90.0°
O8	C5	C6	H7	147.7°	90.0°
O11	S1	O10	C6	123.8°	90.0°
O11	S1	C6	C5	144.4°	90.0°
O11	S1	C6	H6	23.5°	90.0°
O11	S1	C6	H7	94.7°	90.0°
O11	S1	O10	H13	0.0°	90.0°
O10	S1	C6	C5	93.2°	90.0°
O10	S1	C6	H6	146.0°	90.0°
O10	S1	C6	H7	27.7°	90.0°
S1	C6	C5	H6	120.9°	90.0°
S1	C6	C5	H7	120.9°	90.0°
S1	C6	C5	C4	150.1°	90.0°
S1	C6	C5	H5	22.3°	90.0°
S1	C6	H6	H7	117.3°	90.0°
C6	S1	O10	H13	123.8°	90.0°
O5	P1	O4	O3	125.2°	90.0°
O5	P1	O4	O2	116.3°	90.0°
O5	P1	O3	O2	117.7°	90.0°
O5	P1	O2	C2	49.9°	90.0°
O5	P1	O3	H8	0.0°	90.0°
O5	P1	O4	H9	0.0°	90.0°
C6	C5	C4	H5	127.6°	90.0°
C6	C5	C4	C3	141.0°	90.0°
C6	C5	C4	O7	10.8°	90.0°
C6	C5	C4	H4	102.2°	90.0°
C5	C6	H6	H7	117.3°	90.0°
C6	C5	O8	H12	180.0°	90.0°
C5	C4	C3	O7	131.2°	90.0°
C5	C4	C3	H4	116.7°	90.0°
C5	C4	O7	H4	111.8°	90.0°
C5	C4	C3	O6	70.5°	90.0°
C5	C4	C3	C1	176.2°	90.0°
C5	C4	C3	H3	69.0°	90.0°
C4	C5	C6	H6	89.1°	90.0°
C4	C5	C6	H7	29.2°	90.0°
C5	C4	O7	H11	150.3°	90.0°
C4	C5	O8	H12	44.3°	90.0°
O4	P1	O3	O2	118.3°	90.0°
O4	P1	O2	C2	170.0°	90.0°
O4	P1	O3	H8	123.9°	90.0°
O3	P1	O2	C2	72.8°	90.0°
O3	P1	O4	H9	125.2°	90.0°
P1	O2	C2	C1	160.8°	90.0°
P1	O2	C2	H1	40.0°	90.0°
P1	O2	C2	H2	78.5°	90.0°
O2	P1	O3	H8	117.7°	90.0°
O2	P1	O4	H9	116.3°	90.0°
C3	C4	O7	H4	111.1°	90.0°
C4	C3	O6	C1	109.2°	90.0°
C4	C3	O6	H3	138.8°	90.0°
C4	C3	C1	H3	114.0°	90.0°
C4	C3	C1	C2	91.5°	90.0°
C4	C3	C1	O1	91.4°	90.0°
C3	C4	C5	H5	13.3°	90.0°
C4	C3	O6	H10	89.5°	90.0°
C3	C4	O7	H11	13.2°	90.0°
O7	C4	C3	O6	60.7°	90.0°
O7	C4	C3	C1	45.0°	90.0°
O7	C4	C3	H3	159.8°	90.0°
O7	C4	C5	H5	116.8°	90.0°
O6	C3	C1	H3	112.9°	90.0°
O6	C3	C1	C2	135.4°	90.0°
O6	C3	C1	O1	41.6°	90.0°
O6	C3	C4	H4	172.8°	90.0°
C3	C1	C2	O2	89.0°	90.0°
C3	C1	C2	O1	176.6°	90.0°
C3	C1	C2	H1	31.8°	90.0°
C3	C1	C2	H2	150.2°	90.0°
C1	C3	C4	H4	67.1°	90.0°
C1	C3	O6	H10	19.7°	90.0°
O2	C2	C1	H1	120.8°	90.0°
O2	C2	C1	H2	120.8°	90.0°
O2	C2	C1	O1	94.3°	90.0°
O2	C2	H1	H2	117.6°	90.0°
C1	C2	H1	H2	117.6°	90.0°
C2	C1	C3	H3	22.5°	90.0°
O1	C1	C2	H1	144.9°	90.0°
O1	C1	C2	H2	26.4°	90.0°
O1	C1	C3	H3	154.5°	90.0°
H3	C3	C4	H4	47.7°	90.0°
H3	C3	O6	H10	131.7°	90.0°
H4	C4	C5	H5	130.2°	90.0°
H4	C4	O7	H11	97.9°	90.0°
H5	C5	C6	H6	143.2°	90.0°
H5	C5	C6	H7	98.5°	90.0°
H5	C5	O8	H12	68.2°	90.0°

Release date:	2023-10-25
Definition date:	2023-08-08
Last modified:	2023-10-20
Release status:	REL
Processing site:	PDBE
Derived from:	8Q59