PTE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.52Å
C1	O4P	sing	0.00Å	1.41Å
C1	H11	sing	0.00Å	1.10Å
C1	H12	sing	0.00Å	1.10Å
C2	C3	sing	0.00Å	1.54Å
C2	O2	sing	0.00Å	1.39Å
C2	H2	sing	0.00Å	1.10Å
C3	S3	sing	0.00Å	1.71Å
C3	C4	doub	0.00Å	1.38Å
C4	S4	sing	0.00Å	1.77Å
C4	C5	sing	0.00Å	1.55Å
S4	W1	sing	0.00Å	2.29Å
C5	N6	sing	0.00Å	1.48Å
C5	C14	sing	0.00Å	1.56Å
C5	H5	sing	0.00Å	1.10Å
N6	C7	sing	0.00Å	1.34Å
N6	H6	sing	0.00Å	1.00Å
C7	C8	sing	0.00Å	1.43Å
C7	C12	doub	0.00Å	1.43Å
C8	O8	doub	0.00Å	1.38Å
C8	N9	sing	0.00Å	1.34Å
N9	C10	sing	0.00Å	1.36Å
N9	H9	sing	0.00Å	1.00Å
C10	N10	sing	0.00Å	1.35Å
C10	N11	doub	0.00Å	1.36Å
N10	H101	sing	0.00Å	1.00Å
N10	H102	sing	0.00Å	1.00Å
N11	C12	sing	0.00Å	1.36Å
C12	N13	sing	0.00Å	1.36Å
N13	C14	sing	0.00Å	1.47Å
N13	H13	sing	0.00Å	1.00Å
C14	O2	sing	0.00Å	1.40Å
C14	H14	sing	0.00Å	1.10Å
C21	C22	sing	0.00Å	1.53Å
C21	O8P	sing	0.00Å	1.42Å
C21	H211	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.54Å
C22	O22	sing	0.00Å	1.39Å
C22	H22	sing	0.00Å	1.10Å
C23	S23	sing	0.00Å	1.75Å
C23	C24	doub	0.00Å	1.40Å
C24	S24	sing	0.00Å	1.74Å
C24	C25	sing	0.00Å	1.53Å
C25	N26	sing	0.00Å	1.48Å
C25	C34	sing	0.00Å	1.55Å
C25	H25	sing	0.00Å	1.10Å
N26	C27	sing	0.00Å	1.35Å
N26	H26	sing	0.00Å	1.00Å
C27	C28	sing	0.00Å	1.42Å
C27	C32	doub	0.00Å	1.44Å
C28	O28	doub	0.00Å	1.36Å
C28	N29	sing	0.00Å	1.34Å
N29	C30	sing	0.00Å	1.36Å
N29	H29	sing	0.00Å	1.00Å
C30	N30	sing	0.00Å	1.35Å
C30	N31	doub	0.00Å	1.36Å
N30	H301	sing	0.00Å	1.00Å
N30	H302	sing	0.00Å	1.00Å
N31	C32	sing	0.00Å	1.34Å
C32	N33	sing	0.00Å	1.34Å
N33	C34	sing	0.00Å	1.46Å
N33	H33	sing	0.00Å	1.00Å
C34	O22	sing	0.00Å	1.39Å
C34	H34	sing	0.00Å	1.10Å
P1	O1P	sing	0.00Å	1.60Å
P1	O2P	sing	0.00Å	1.57Å
P1	O3P	doub	0.00Å	1.47Å
P1	O4P	sing	0.00Å	1.55Å
O1P	MG1	sing	0.00Å	2.02Å
O2P	HOP2	sing	0.00Å	0.95Å
P2	O5P	sing	0.00Å	1.57Å
P2	O6P	sing	0.00Å	1.58Å
P2	O7P	doub	0.00Å	1.49Å
P2	O8P	sing	0.00Å	1.48Å
O5P	MG1	sing	0.00Å	2.01Å
O6P	HOP6	sing	0.00Å	0.95Å
MG1	O1G	sing	0.00Å	2.10Å
MG1	O2G	sing	0.00Å	2.11Å
W1	S3	sing	0.00Å	2.39Å
W1	S23	sing	0.00Å	2.35Å
W1	S24	sing	0.00Å	2.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O4P	100.2°	90.0°
C2	C1	H11	111.8°	90.0°
C2	C1	H12	111.7°	90.0°
C1	C2	C3	116.8°	90.0°
C1	C2	O2	116.2°	90.0°
C1	C2	H2	104.0°	90.0°
O4P	C1	H11	111.7°	90.0°
O4P	C1	H12	111.7°	90.0°
C1	O4P	P1	117.5°	90.0°
H11	C1	H12	109.5°	90.0°
C3	C2	O2	109.1°	90.0°
C3	C2	H2	103.8°	90.0°
C2	C3	S3	121.3°	90.0°
C2	C3	C4	121.5°	90.0°
O2	C2	H2	105.3°	90.0°
C2	O2	C14	123.4°	90.0°
S3	C3	C4	114.3°	90.0°
C3	S3	W1	115.8°	90.0°
C3	C4	S4	117.3°	90.0°
C3	C4	C5	120.3°	90.0°
S4	C4	C5	118.1°	90.0°
C4	S4	W1	115.2°	90.0°
C4	C5	N6	120.0°	90.0°
C4	C5	C14	112.2°	90.0°
C4	C5	H5	104.1°	90.0°
S4	W1	S3	76.2°	90.0°
S4	W1	S23	78.7°	90.0°
S4	W1	S24	135.4°	90.0°
N6	C5	C14	109.9°	90.0°
N6	C5	H5	104.8°	90.0°
C5	N6	C7	118.5°	90.0°
C5	N6	H6	107.2°	90.0°
C14	C5	H5	104.1°	90.0°
C5	C14	N13	109.8°	90.0°
C5	C14	O2	105.0°	90.0°
C5	C14	H14	104.7°	90.0°
C7	N6	H6	107.2°	90.0°
N6	C7	C8	124.0°	90.0°
N6	C7	C12	118.8°	90.0°
C8	C7	C12	117.2°	90.0°
C7	C8	O8	123.1°	90.0°
C7	C8	N9	120.8°	90.0°
C7	C12	N11	118.0°	90.0°
C7	C12	N13	120.3°	90.0°
O8	C8	N9	115.9°	90.0°
C8	N9	C10	119.9°	90.0°
C8	N9	H9	120.0°	90.0°
C10	N9	H9	120.0°	90.0°
N9	C10	N10	122.6°	90.0°
N9	C10	N11	120.6°	90.0°
N10	C10	N11	116.7°	90.0°
C10	N10	H101	120.0°	90.0°
C10	N10	H102	120.0°	90.0°
C10	N11	C12	122.2°	90.0°
H101	N10	H102	120.0°	90.0°
N11	C12	N13	121.7°	90.0°
C12	N13	C14	123.4°	90.0°
C12	N13	H13	105.9°	90.0°
C14	N13	H13	105.9°	90.0°
N13	C14	O2	123.9°	90.0°
N13	C14	H14	105.5°	90.0°
O2	C14	H14	106.4°	90.0°
C22	C21	O8P	106.7°	90.0°
C22	C21	H211	110.1°	90.0°
C22	C21	H212	110.2°	90.0°
C21	C22	C23	110.1°	90.0°
C21	C22	O22	118.6°	90.0°
C21	C22	H22	107.4°	90.0°
O8P	C21	H211	110.1°	90.0°
O8P	C21	H212	110.2°	90.0°
C21	O8P	P2	116.4°	90.0°
H211	C21	H212	109.5°	90.0°
C23	C22	O22	103.8°	90.0°
C23	C22	H22	107.3°	90.0°
C22	C23	S23	122.9°	90.0°
C22	C23	C24	119.4°	90.0°
O22	C22	H22	109.2°	90.0°
C22	O22	C34	129.0°	90.0°
S23	C23	C24	116.8°	90.0°
C23	S23	W1	110.8°	90.0°
C23	C24	S24	119.0°	90.0°
C23	C24	C25	122.6°	90.0°
S24	C24	C25	115.5°	90.0°
C24	S24	W1	110.5°	90.0°
C24	C25	N26	120.5°	90.0°
C24	C25	C34	103.2°	90.0°
C24	C25	H25	105.2°	90.0°
N26	C25	C34	115.6°	90.0°
N26	C25	H25	105.9°	90.0°
C25	N26	C27	110.5°	90.0°
C25	N26	H26	109.2°	90.0°
C34	C25	H25	105.1°	90.0°
C25	C34	N33	110.1°	90.0°
C25	C34	O22	97.6°	90.0°
C25	C34	H34	111.9°	90.0°
C27	N26	H26	109.2°	90.0°
N26	C27	C28	123.5°	90.0°
N26	C27	C32	121.6°	90.0°
C28	C27	C32	114.8°	90.0°
C27	C28	O28	122.2°	90.0°
C27	C28	N29	122.0°	90.0°
C27	C32	N31	120.5°	90.0°
C27	C32	N33	122.1°	90.0°
O28	C28	N29	115.7°	90.0°
C28	N29	C30	121.0°	90.0°
C28	N29	H29	119.5°	90.0°
C30	N29	H29	119.5°	90.0°
N29	C30	N30	124.1°	90.0°
N29	C30	N31	119.4°	90.0°
N30	C30	N31	116.5°	90.0°
C30	N30	H301	120.0°	90.0°
C30	N30	H302	120.0°	90.0°
C30	N31	C32	122.2°	90.0°
H301	N30	H302	120.0°	90.0°
N31	C32	N33	117.4°	90.0°
C32	N33	C34	120.7°	90.0°
C32	N33	H33	106.6°	90.0°
C34	N33	H33	106.6°	90.0°
N33	C34	O22	108.2°	90.0°
N33	C34	H34	113.3°	90.0°
O22	C34	H34	114.5°	90.0°
O1P	P1	O2P	95.6°	90.0°
O1P	P1	O3P	111.5°	90.0°
O1P	P1	O4P	111.0°	90.0°
P1	O1P	MG1	131.8°	90.0°
O2P	P1	O3P	113.6°	90.0°
O2P	P1	O4P	107.3°	90.0°
P1	O2P	HOP2	109.5°	90.0°
O3P	P1	O4P	115.9°	90.0°
O1P	MG1	O5P	172.7°	90.0°
O1P	MG1	O1G	98.1°	90.0°
O1P	MG1	O2G	91.1°	90.0°
O5P	P2	O6P	109.3°	90.0°
O5P	P2	O7P	105.5°	90.0°
O5P	P2	O8P	111.7°	90.0°
P2	O5P	MG1	151.6°	90.0°
O6P	P2	O7P	107.7°	90.0°
O6P	P2	O8P	109.9°	90.0°
P2	O6P	HOP6	109.5°	90.0°
O7P	P2	O8P	112.5°	90.0°
O5P	MG1	O1G	89.1°	90.0°
O5P	MG1	O2G	86.0°	90.0°
O1G	MG1	O2G	102.9°	90.0°
S3	W1	S23	107.9°	90.0°
S3	W1	S24	73.2°	90.0°
S23	W1	S24	80.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O4P	H11	118.5°	90.0°
C2	C1	O4P	H12	118.5°	90.0°
C2	C1	H11	H12	124.3°	90.0°
C1	C2	C3	O2	134.4°	90.0°
C1	C2	C3	H2	113.8°	90.0°
C1	C2	O2	H2	114.4°	90.0°
C1	C2	C3	S3	15.9°	90.0°
C1	C2	C3	C4	143.6°	90.0°
C1	C2	O2	C14	177.9°	90.0°
C2	C1	O4P	P1	138.9°	90.0°
O4P	C1	H11	H12	124.3°	90.0°
O4P	C1	C2	C3	179.2°	90.0°
O4P	C1	C2	O2	48.1°	90.0°
O4P	C1	C2	H2	67.1°	90.0°
C1	O4P	P1	O1P	76.0°	90.0°
C1	O4P	P1	O2P	179.3°	90.0°
C1	O4P	P1	O3P	52.5°	90.0°
H11	C1	C2	C3	62.3°	90.0°
H11	C1	C2	O2	166.5°	90.0°
H11	C1	C2	H2	51.4°	90.0°
H11	C1	O4P	P1	102.6°	90.0°
H12	C1	C2	C3	60.8°	90.0°
H12	C1	C2	O2	70.4°	90.0°
H12	C1	C2	H2	174.4°	90.0°
H12	C1	O4P	P1	20.5°	90.0°
C3	C2	O2	H2	110.9°	90.0°
C2	C3	S3	C4	160.8°	90.0°
C2	C3	C4	S4	155.3°	90.0°
C2	C3	C4	C5	0.9°	90.0°
C3	C2	O2	C14	47.4°	90.0°
C2	C3	S3	W1	163.4°	90.0°
O2	C2	C3	S3	150.3°	90.0°
O2	C2	C3	C4	9.2°	90.0°
C2	O2	C14	C5	66.0°	90.0°
C2	O2	C14	N13	167.0°	90.0°
C2	O2	C14	H14	44.7°	90.0°
H2	C2	C3	S3	97.9°	90.0°
H2	C2	C3	C4	102.7°	90.0°
H2	C2	O2	C14	63.5°	90.0°
S3	C3	C4	S4	5.4°	90.0°
S3	C3	C4	C5	161.7°	90.0°
C3	S3	W1	S4	6.8°	90.0°
C3	S3	W1	S23	80.0°	90.0°
C3	S3	W1	S24	154.0°	90.0°
C3	C4	S4	C5	156.8°	90.0°
C3	C4	S4	W1	11.6°	90.0°
C3	C4	C5	N6	113.5°	90.0°
C3	C4	C5	C14	17.8°	90.0°
C3	C4	C5	H5	129.7°	90.0°
C4	C3	S3	W1	2.5°	90.0°
S4	C4	C5	N6	42.6°	90.0°
S4	C4	C5	C14	173.9°	90.0°
S4	C4	C5	H5	74.2°	90.0°
C4	S4	W1	S3	9.2°	90.0°
C4	S4	W1	S23	120.9°	90.0°
C4	S4	W1	S24	56.9°	90.0°
C5	C4	S4	W1	168.4°	90.0°
C4	C5	N6	C14	132.4°	90.0°
C4	C5	N6	H5	116.4°	90.0°
C4	C5	C14	H5	111.9°	90.0°
C4	C5	N6	C7	177.3°	90.0°
C4	C5	N6	H6	61.4°	90.0°
C4	C5	C14	N13	179.9°	90.0°
C4	C5	C14	O2	44.6°	90.0°
C4	C5	C14	H14	67.2°	90.0°
S4	W1	S23	C23	127.5°	90.0°
S4	W1	S24	C24	54.8°	90.0°
S4	W1	S3	S23	73.1°	90.0°
S4	W1	S3	S24	147.1°	90.0°
S4	W1	S23	S24	140.2°	90.0°
N6	C5	C14	H5	111.8°	90.0°
C5	N6	C7	H6	121.3°	90.0°
C5	N6	C7	C8	150.7°	90.0°
C5	N6	C7	C12	27.3°	90.0°
N6	C5	C14	N13	43.6°	90.0°
N6	C5	C14	O2	91.7°	90.0°
N6	C5	C14	H14	156.5°	90.0°
C14	C5	N6	C7	50.4°	90.0°
C14	C5	N6	H6	70.9°	90.0°
C5	C14	N13	C12	19.4°	90.0°
C5	C14	N13	O2	125.0°	90.0°
C5	C14	N13	H14	112.3°	90.0°
C5	C14	N13	H13	141.4°	90.0°
C5	C14	O2	H14	110.6°	90.0°
H5	C5	N6	C7	60.9°	90.0°
H5	C5	N6	H6	177.8°	90.0°
H5	C5	C14	N13	68.2°	90.0°
H5	C5	C14	O2	156.6°	90.0°
H5	C5	C14	H14	44.7°	90.0°
N6	C7	C8	C12	178.0°	90.0°
N6	C7	C8	O8	7.3°	90.0°
N6	C7	C8	N9	169.4°	90.0°
N6	C7	C12	N11	179.3°	90.0°
N6	C7	C12	N13	2.0°	90.0°
H6	N6	C7	C8	88.0°	90.0°
H6	N6	C7	C12	94.0°	90.0°
C7	C8	O8	N9	176.9°	90.0°
C7	C8	N9	C10	12.1°	90.0°
C7	C8	N9	H9	167.9°	90.0°
C8	C7	C12	N11	1.2°	90.0°
C8	C7	C12	N13	179.9°	90.0°
C12	C7	C8	O8	174.7°	90.0°
C12	C7	C8	N9	8.6°	90.0°
C7	C12	N11	C10	7.6°	90.0°
C7	C12	N11	N13	178.7°	90.0°
C7	C12	N13	C14	4.5°	90.0°
C7	C12	N13	H13	117.4°	90.0°
O8	C8	N9	C10	170.9°	90.0°
O8	C8	N9	H9	9.1°	90.0°
C8	N9	C10	H9	180.0°	90.0°
C8	N9	C10	N10	170.8°	90.0°
C8	N9	C10	N11	5.7°	90.0°
N9	C10	N10	N11	176.6°	90.0°
N9	C10	N10	H101	176.6°	90.0°
N9	C10	N10	H102	3.4°	90.0°
N9	C10	N11	C12	4.4°	90.0°
H9	N9	C10	N10	9.3°	90.0°
H9	N9	C10	N11	174.3°	90.0°
C10	N10	H101	H102	180.0°	90.0°
N10	C10	N11	C12	178.9°	90.0°
N11	C10	N10	H101	0.0°	90.0°
N11	C10	N10	H102	180.0°	90.0°
C10	N11	C12	N13	173.7°	90.0°
N11	C12	N13	C14	176.8°	90.0°
N11	C12	N13	H13	61.2°	90.0°
C12	N13	C14	H13	121.9°	90.0°
C12	N13	C14	O2	105.6°	90.0°
C12	N13	C14	H14	131.8°	90.0°
N13	C14	O2	H14	122.3°	90.0°
H13	N13	C14	O2	16.4°	90.0°
H13	N13	C14	H14	106.3°	90.0°
C22	C21	O8P	H211	119.5°	90.0°
C22	C21	O8P	H212	119.6°	90.0°
C22	C21	H211	H212	121.3°	90.0°
C21	C22	C23	O22	127.9°	90.0°
C21	C22	C23	H22	116.5°	90.0°
C21	C22	O22	H22	123.3°	90.0°
C21	C22	C23	S23	46.5°	90.0°
C21	C22	C23	C24	122.6°	90.0°
C21	C22	O22	C34	161.3°	90.0°
C22	C21	O8P	P2	158.8°	90.0°
O8P	C21	H211	H212	121.3°	90.0°
O8P	C21	C22	C23	179.9°	90.0°
O8P	C21	C22	O22	60.7°	90.0°
O8P	C21	C22	H22	63.6°	90.0°
C21	O8P	P2	O5P	64.6°	90.0°
C21	O8P	P2	O6P	173.9°	90.0°
C21	O8P	P2	O7P	53.8°	90.0°
H211	C21	C22	C23	60.5°	90.0°
H211	C21	C22	O22	179.8°	90.0°
H211	C21	C22	H22	56.0°	90.0°
H211	C21	O8P	P2	81.6°	90.0°
H212	C21	C22	C23	60.3°	90.0°
H212	C21	C22	O22	58.9°	90.0°
H212	C21	C22	H22	176.8°	90.0°
H212	C21	O8P	P2	39.2°	90.0°
C23	C22	O22	H22	114.2°	90.0°
C22	C23	S23	C24	169.4°	90.0°
C22	C23	C24	S24	160.2°	90.0°
C22	C23	C24	C25	0.6°	90.0°
C23	C22	O22	C34	38.8°	90.0°
C22	C23	S23	W1	153.0°	90.0°
O22	C22	C23	S23	174.4°	90.0°
O22	C22	C23	C24	5.3°	90.0°
C22	O22	C34	C25	77.0°	90.0°
C22	O22	C34	N33	168.8°	90.0°
C22	O22	C34	H34	41.4°	90.0°
H22	C22	C23	S23	70.0°	90.0°
H22	C22	C23	C24	120.8°	90.0°
H22	C22	O22	C34	75.4°	90.0°
S23	C23	C24	S24	9.6°	90.0°
S23	C23	C24	C25	169.2°	90.0°
C23	S23	W1	S3	56.1°	90.0°
C23	S23	W1	S24	12.7°	90.0°
C23	C24	S24	C25	161.0°	90.0°
C23	C24	C25	N26	93.2°	90.0°
C23	C24	C25	C34	37.6°	90.0°
C23	C24	C25	H25	147.5°	90.0°
C24	C23	S23	W1	16.4°	90.0°
C23	C24	S24	W1	1.8°	90.0°
S24	C24	C25	N26	67.1°	90.0°
S24	C24	C25	C34	162.1°	90.0°
S24	C24	C25	H25	52.2°	90.0°
C24	S24	W1	S3	103.5°	90.0°
C24	S24	W1	S23	8.5°	90.0°
C24	C25	N26	C34	125.2°	90.0°
C24	C25	N26	H25	119.0°	90.0°
C24	C25	C34	H25	110.0°	90.0°
C24	C25	N26	C27	176.5°	90.0°
C24	C25	N26	H26	56.4°	90.0°
C24	C25	C34	N33	175.2°	90.0°
C24	C25	C34	O22	62.5°	90.0°
C24	C25	C34	H34	57.8°	90.0°
C25	C24	S24	W1	159.2°	90.0°
N26	C25	C34	H25	116.3°	90.0°
C25	N26	C27	H26	120.2°	90.0°
C25	N26	C27	C28	147.6°	90.0°
C25	N26	C27	C32	29.9°	90.0°
N26	C25	C34	N33	41.5°	90.0°
N26	C25	C34	O22	71.1°	90.0°
N26	C25	C34	H34	168.5°	90.0°
C34	C25	N26	C27	51.3°	90.0°
C34	C25	N26	H26	68.8°	90.0°
C25	C34	N33	C32	9.9°	90.0°
C25	C34	N33	O22	105.7°	90.0°
C25	C34	N33	H34	126.2°	90.0°
C25	C34	N33	H33	131.5°	90.0°
C25	C34	O22	H34	118.4°	90.0°
H25	C25	N26	C27	64.5°	90.0°
H25	C25	N26	H26	175.4°	90.0°
H25	C25	C34	N33	74.8°	90.0°
H25	C25	C34	O22	172.6°	90.0°
H25	C25	C34	H34	52.2°	90.0°
N26	C27	C28	C32	177.6°	90.0°
N26	C27	C28	O28	2.3°	90.0°
N26	C27	C28	N29	174.6°	90.0°
N26	C27	C32	N31	177.8°	90.0°
N26	C27	C32	N33	0.9°	90.0°
H26	N26	C27	C28	92.2°	90.0°
H26	N26	C27	C32	90.3°	90.0°
C27	C28	O28	N29	177.1°	90.0°
C27	C28	N29	C30	4.0°	90.0°
C27	C28	N29	H29	176.0°	90.0°
C28	C27	C32	N31	0.1°	90.0°
C28	C27	C32	N33	178.6°	90.0°
C32	C27	C28	O28	179.9°	90.0°
C32	C27	C28	N29	3.0°	90.0°
C27	C32	N31	C30	2.2°	90.0°
C27	C32	N31	N33	178.8°	90.0°
C27	C32	N33	C34	11.3°	90.0°
C27	C32	N33	H33	110.3°	90.0°
O28	C28	N29	C30	178.9°	90.0°
O28	C28	N29	H29	1.1°	90.0°
C28	N29	C30	H29	180.0°	90.0°
C28	N29	C30	N30	178.1°	90.0°
C28	N29	C30	N31	1.8°	90.0°
N29	C30	N30	N31	176.4°	90.0°
N29	C30	N30	H301	176.4°	90.0°
N29	C30	N30	H302	3.6°	90.0°
N29	C30	N31	C32	1.4°	90.0°
H29	N29	C30	N30	1.9°	90.0°
H29	N29	C30	N31	178.2°	90.0°
C30	N30	H301	H302	180.0°	90.0°
N30	C30	N31	C32	175.2°	90.0°
N31	C30	N30	H301	0.0°	90.0°
N31	C30	N30	H302	180.0°	90.0°
C30	N31	C32	N33	176.5°	90.0°
N31	C32	N33	C34	167.5°	90.0°
N31	C32	N33	H33	71.0°	90.0°
C32	N33	C34	H33	121.6°	90.0°
C32	N33	C34	O22	95.7°	90.0°
C32	N33	C34	H34	136.2°	90.0°
N33	C34	O22	H34	127.4°	90.0°
H33	N33	C34	O22	25.8°	90.0°
H33	N33	C34	H34	102.3°	90.0°
O1P	P1	O2P	O3P	116.4°	90.0°
O1P	P1	O2P	O4P	114.0°	90.0°
O1P	P1	O3P	O4P	128.3°	90.0°
O1P	P1	O2P	HOP2	116.5°	90.0°
P1	O1P	MG1	O5P	167.7°	90.0°
P1	O1P	MG1	O1G	1.9°	90.0°
P1	O1P	MG1	O2G	101.3°	90.0°
O2P	P1	O3P	O4P	125.1°	90.0°
O2P	P1	O1P	MG1	161.1°	90.0°
O3P	P1	O1P	MG1	43.0°	90.0°
O3P	P1	O2P	HOP2	0.0°	90.0°
O4P	P1	O1P	MG1	87.9°	90.0°
O4P	P1	O2P	HOP2	129.5°	90.0°
O1P	MG1	O5P	P2	65.1°	90.0°
O1P	MG1	O5P	O1G	169.7°	90.0°
O1P	MG1	O5P	O2G	66.7°	90.0°
O1P	MG1	O1G	O2G	93.0°	90.0°
O5P	P2	O6P	O7P	114.1°	90.0°
O5P	P2	O6P	O8P	123.0°	90.0°
O5P	P2	O7P	O8P	122.1°	90.0°
O5P	P2	O6P	HOP6	114.1°	90.0°
P2	O5P	MG1	O1G	104.6°	90.0°
P2	O5P	MG1	O2G	1.6°	90.0°
O6P	P2	O7P	O8P	121.3°	90.0°
O6P	P2	O5P	MG1	143.5°	90.0°
O7P	P2	O5P	MG1	28.0°	90.0°
O7P	P2	O6P	HOP6	0.0°	90.0°
O8P	P2	O5P	MG1	94.6°	90.0°
O8P	P2	O6P	HOP6	122.9°	90.0°
O5P	MG1	O1G	O2G	85.7°	90.0°
S3	W1	S23	S24	68.8°	90.0°

Definition date:	1999-07-08
Last modified:	2025-01-10
Release status:	REL
Processing site:	RCSB
Derived from:	1AOR