BPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PT1	CL1	sing	0.00Å	1.99Å
PT1	N1	sing	0.00Å	2.00Å
PT1	N3	sing	0.00Å	2.00Å
PT1	N4	sing	0.00Å	2.01Å
N1	C1	sing	0.00Å	1.46Å
N1	HN11	sing	0.00Å	1.00Å
N1	HN12	sing	0.00Å	1.00Å
C1	C2	sing	0.00Å	1.58Å
C1	HC11	sing	0.00Å	1.10Å
C1	HC12	sing	0.00Å	1.10Å
C2	C3	sing	0.00Å	1.61Å
C2	HC21	sing	0.00Å	1.10Å
C2	HC22	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.58Å
C3	HC31	sing	0.00Å	1.10Å
C3	HC32	sing	0.00Å	1.10Å
C4	N2	sing	0.00Å	1.46Å
C4	HC41	sing	0.00Å	1.10Å
C4	HC42	sing	0.00Å	1.10Å
N2	PT2	sing	0.00Å	2.00Å
N2	HN21	sing	0.00Å	1.00Å
N2	HN22	sing	0.00Å	1.00Å
PT2	N5	sing	0.00Å	2.00Å
PT2	N6	sing	0.00Å	2.01Å
PT2	CL2	sing	0.00Å	1.99Å
N3	HN31	sing	0.00Å	1.00Å
N3	HN32	sing	0.00Å	1.00Å
N3	HN33	sing	0.00Å	1.00Å
N4	HN41	sing	0.00Å	1.00Å
N4	HN42	sing	0.00Å	1.00Å
N4	HN43	sing	0.00Å	1.00Å
N5	HN51	sing	0.00Å	1.00Å
N5	HN52	sing	0.00Å	1.00Å
N5	HN53	sing	0.00Å	1.00Å
N6	HN61	sing	0.00Å	1.00Å
N6	HN62	sing	0.00Å	1.00Å
N6	HN63	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	PT1	N1	179.3°	90.0°
CL1	PT1	N3	89.2°	90.0°
CL1	PT1	N4	90.9°	90.0°
N1	PT1	N3	90.2°	90.0°
N1	PT1	N4	89.8°	90.0°
PT1	N1	C1	110.6°	90.0°
PT1	N1	HN11	109.2°	90.0°
PT1	N1	HN12	109.2°	90.0°
N3	PT1	N4	179.8°	90.0°
PT1	N3	HN31	109.5°	90.0°
PT1	N3	HN32	109.5°	90.0°
PT1	N3	HN33	109.5°	90.0°
PT1	N4	HN41	109.5°	90.0°
PT1	N4	HN42	109.5°	90.0°
PT1	N4	HN43	109.4°	90.0°
C1	N1	HN11	109.2°	90.0°
C1	N1	HN12	109.2°	90.0°
N1	C1	C2	105.9°	90.0°
N1	C1	HC11	110.4°	90.0°
N1	C1	HC12	110.4°	90.0°
HN11	N1	HN12	109.5°	90.0°
C2	C1	HC11	110.4°	90.0°
C2	C1	HC12	110.4°	90.0°
C1	C2	C3	117.9°	90.0°
C1	C2	HC21	107.3°	90.0°
C1	C2	HC22	107.3°	90.0°
HC11	C1	HC12	109.4°	90.0°
C3	C2	HC21	107.3°	90.0°
C3	C2	HC22	107.3°	90.0°
C2	C3	C4	119.0°	90.0°
C2	C3	HC31	107.0°	90.0°
C2	C3	HC32	107.0°	90.0°
HC21	C2	HC22	109.5°	90.0°
C4	C3	HC31	107.0°	90.0°
C4	C3	HC32	107.1°	90.0°
C3	C4	N2	105.8°	90.0°
C3	C4	HC41	110.4°	90.0°
C3	C4	HC42	110.4°	90.0°
HC31	C3	HC32	109.4°	90.0°
N2	C4	HC41	110.4°	90.0°
N2	C4	HC42	110.4°	90.0°
C4	N2	PT2	110.6°	90.0°
C4	N2	HN21	109.2°	90.0°
C4	N2	HN22	109.2°	90.0°
HC41	C4	HC42	109.5°	90.0°
PT2	N2	HN21	109.2°	90.0°
PT2	N2	HN22	109.2°	90.0°
N2	PT2	N5	90.1°	90.0°
N2	PT2	N6	89.8°	90.0°
N2	PT2	CL2	179.2°	90.0°
HN21	N2	HN22	109.5°	90.0°
N5	PT2	N6	179.9°	90.0°
N5	PT2	CL2	89.1°	90.0°
PT2	N5	HN51	109.5°	90.0°
PT2	N5	HN52	109.4°	90.0°
PT2	N5	HN53	109.5°	90.0°
N6	PT2	CL2	90.9°	90.0°
PT2	N6	HN61	109.5°	90.0°
PT2	N6	HN62	109.4°	90.0°
PT2	N6	HN63	109.5°	90.0°
HN31	N3	HN32	109.5°	90.0°
HN31	N3	HN33	109.5°	90.0°
HN32	N3	HN33	109.4°	90.0°
HN41	N4	HN42	109.5°	90.0°
HN41	N4	HN43	109.4°	90.0°
HN42	N4	HN43	109.5°	90.0°
HN51	N5	HN52	109.5°	90.0°
HN51	N5	HN53	109.5°	90.0°
HN52	N5	HN53	109.5°	90.0°
HN61	N6	HN62	109.5°	90.0°
HN61	N6	HN63	109.5°	90.0°
HN62	N6	HN63	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	PT1	N1	N3	24.9°	90.0°
CL1	PT1	N1	N4	154.9°	90.0°
CL1	PT1	N3	N4	95.6°	90.0°
CL1	PT1	N1	C1	39.0°	90.0°
CL1	PT1	N1	HN11	159.2°	90.0°
CL1	PT1	N1	HN12	81.2°	90.0°
CL1	PT1	N3	HN31	180.0°	90.0°
CL1	PT1	N3	HN32	60.0°	90.0°
CL1	PT1	N3	HN33	60.0°	90.0°
CL1	PT1	N4	HN41	180.0°	90.0°
CL1	PT1	N4	HN42	60.0°	90.0°
CL1	PT1	N4	HN43	60.0°	90.0°
N1	PT1	N3	N4	84.0°	90.0°
PT1	N1	C1	HN11	120.2°	90.0°
PT1	N1	C1	HN12	120.2°	90.0°
PT1	N1	HN11	HN12	119.5°	90.0°
PT1	N1	C1	C2	165.0°	90.0°
PT1	N1	C1	HC11	45.6°	90.0°
PT1	N1	C1	HC12	75.5°	90.0°
N1	PT1	N3	HN31	0.3°	90.0°
N1	PT1	N3	HN32	120.3°	90.0°
N1	PT1	N3	HN33	119.7°	90.0°
N1	PT1	N4	HN41	0.3°	90.0°
N1	PT1	N4	HN42	119.7°	90.0°
N1	PT1	N4	HN43	120.3°	90.0°
N3	PT1	N1	C1	63.9°	90.0°
N3	PT1	N1	HN11	175.9°	90.0°
N3	PT1	N1	HN12	56.2°	90.0°
PT1	N3	HN31	HN32	120.0°	90.0°
PT1	N3	HN31	HN33	120.0°	90.0°
PT1	N3	HN32	HN33	120.0°	90.0°
N3	PT1	N4	HN41	84.4°	90.0°
N3	PT1	N4	HN42	35.7°	90.0°
N3	PT1	N4	HN43	155.7°	90.0°
N4	PT1	N1	C1	115.9°	90.0°
N4	PT1	N1	HN11	4.3°	90.0°
N4	PT1	N1	HN12	124.0°	90.0°
N4	PT1	N3	HN31	84.3°	90.0°
N4	PT1	N3	HN32	155.6°	90.0°
N4	PT1	N3	HN33	35.7°	90.0°
PT1	N4	HN41	HN42	120.0°	90.0°
PT1	N4	HN41	HN43	120.0°	90.0°
PT1	N4	HN42	HN43	120.0°	90.0°
C1	N1	HN11	HN12	119.5°	90.0°
N1	C1	C2	HC11	119.5°	90.0°
N1	C1	C2	HC12	119.4°	90.0°
N1	C1	HC11	HC12	121.7°	90.0°
N1	C1	C2	C3	173.0°	90.0°
N1	C1	C2	HC21	51.8°	90.0°
N1	C1	C2	HC22	65.8°	90.0°
HN11	N1	C1	C2	74.8°	90.0°
HN11	N1	C1	HC11	165.8°	90.0°
HN11	N1	C1	HC12	44.6°	90.0°
HN12	N1	C1	C2	44.8°	90.0°
HN12	N1	C1	HC11	74.6°	90.0°
HN12	N1	C1	HC12	164.3°	90.0°
C2	C1	HC11	HC12	121.7°	90.0°
C1	C2	C3	HC21	121.2°	90.0°
C1	C2	C3	HC22	121.2°	90.0°
C1	C2	HC21	HC22	116.2°	90.0°
C1	C2	C3	C4	74.8°	90.0°
C1	C2	C3	HC31	46.5°	90.0°
C1	C2	C3	HC32	163.8°	90.0°
HC11	C1	C2	C3	67.5°	90.0°
HC11	C1	C2	HC21	171.3°	90.0°
HC11	C1	C2	HC22	53.7°	90.0°
HC12	C1	C2	C3	53.6°	90.0°
HC12	C1	C2	HC21	67.6°	90.0°
HC12	C1	C2	HC22	174.8°	90.0°
C3	C2	HC21	HC22	116.2°	90.0°
C2	C3	C4	HC31	121.4°	90.0°
C2	C3	C4	HC32	121.3°	90.0°
C2	C3	HC31	HC32	115.6°	90.0°
C2	C3	C4	N2	172.6°	90.0°
C2	C3	C4	HC41	53.3°	90.0°
C2	C3	C4	HC42	67.9°	90.0°
HC21	C2	C3	C4	164.0°	90.0°
HC21	C2	C3	HC31	74.6°	90.0°
HC21	C2	C3	HC32	42.6°	90.0°
HC22	C2	C3	C4	46.4°	90.0°
HC22	C2	C3	HC31	167.7°	90.0°
HC22	C2	C3	HC32	75.0°	90.0°
C4	C3	HC31	HC32	115.7°	90.0°
C3	C4	N2	HC41	119.4°	90.0°
C3	C4	N2	HC42	119.4°	90.0°
C3	C4	HC41	HC42	121.7°	90.0°
C3	C4	N2	PT2	165.1°	90.0°
C3	C4	N2	HN21	44.9°	90.0°
C3	C4	N2	HN22	74.7°	90.0°
HC31	C3	C4	N2	66.0°	90.0°
HC31	C3	C4	HC41	174.6°	90.0°
HC31	C3	C4	HC42	53.4°	90.0°
HC32	C3	C4	N2	51.3°	90.0°
HC32	C3	C4	HC41	68.1°	90.0°
HC32	C3	C4	HC42	170.7°	90.0°
N2	C4	HC41	HC42	121.7°	90.0°
C4	N2	PT2	HN21	120.1°	90.0°
C4	N2	PT2	HN22	120.2°	90.0°
C4	N2	HN21	HN22	119.5°	90.0°
C4	N2	PT2	N5	63.9°	90.0°
C4	N2	PT2	N6	116.0°	90.0°
C4	N2	PT2	CL2	48.4°	90.0°
HC41	C4	N2	PT2	75.5°	90.0°
HC41	C4	N2	HN21	164.3°	90.0°
HC41	C4	N2	HN22	44.7°	90.0°
HC42	C4	N2	PT2	45.7°	90.0°
HC42	C4	N2	HN21	74.5°	90.0°
HC42	C4	N2	HN22	165.9°	90.0°
PT2	N2	HN21	HN22	119.5°	90.0°
N2	PT2	N5	N6	43.5°	90.0°
N2	PT2	N5	CL2	179.8°	90.0°
N2	PT2	N6	CL2	179.8°	90.0°
N2	PT2	N5	HN51	180.0°	90.0°
N2	PT2	N5	HN52	60.0°	90.0°
N2	PT2	N5	HN53	60.0°	90.0°
N2	PT2	N6	HN61	180.0°	90.0°
N2	PT2	N6	HN62	60.0°	90.0°
N2	PT2	N6	HN63	60.0°	90.0°
HN21	N2	PT2	N5	56.2°	90.0°
HN21	N2	PT2	N6	123.9°	90.0°
HN21	N2	PT2	CL2	71.7°	90.0°
HN22	N2	PT2	N5	175.9°	90.0°
HN22	N2	PT2	N6	4.2°	90.0°
HN22	N2	PT2	CL2	168.6°	90.0°
N5	PT2	N6	CL2	136.3°	90.0°
PT2	N5	HN51	HN52	120.0°	90.0°
PT2	N5	HN51	HN53	120.0°	90.0°
PT2	N5	HN52	HN53	120.0°	90.0°
N5	PT2	N6	HN61	136.5°	90.0°
N5	PT2	N6	HN62	103.5°	90.0°
N5	PT2	N6	HN63	16.5°	90.0°
N6	PT2	N5	HN51	136.5°	90.0°
N6	PT2	N5	HN52	16.5°	90.0°
N6	PT2	N5	HN53	103.5°	90.0°
PT2	N6	HN61	HN62	120.0°	90.0°
PT2	N6	HN61	HN63	120.0°	90.0°
PT2	N6	HN62	HN63	120.0°	90.0°
CL2	PT2	N5	HN51	0.2°	90.0°
CL2	PT2	N5	HN52	119.8°	90.0°
CL2	PT2	N5	HN53	120.2°	90.0°
CL2	PT2	N6	HN61	0.2°	90.0°
CL2	PT2	N6	HN62	120.2°	90.0°
CL2	PT2	N6	HN63	119.8°	90.0°
HN31	N3	HN32	HN33	120.0°	90.0°
HN41	N4	HN42	HN43	120.0°	90.0°
HN51	N5	HN52	HN53	120.0°	90.0°
HN61	N6	HN62	HN63	120.0°	90.0°

Definition date:	1999-07-08
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1AU6