JSU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
RH	C13	sing	0.00Å	2.12Å
RH	C14	sing	0.00Å	2.08Å
RH	C15	sing	0.00Å	2.10Å
RH	C16	sing	0.00Å	2.12Å
RH	C17	sing	0.00Å	2.10Å
C1	N1	sing	0.00Å	1.23Å
C1	O1	doub	0.00Å	1.22Å
C1	N2	sing	0.00Å	1.34Å
N1	C2	sing	0.00Å	1.65Å
S1	C3	sing	0.00Å	1.78Å
S1	C5	sing	0.00Å	1.81Å
C2	C3	sing	0.00Å	1.61Å
C2	C4	sing	0.00Å	1.53Å
N2	C4	sing	0.00Å	1.55Å
O2	C10	doub	0.00Å	1.30Å
N3	C10	sing	0.00Å	1.38Å
N3	C11	sing	0.00Å	1.53Å
C4	C5	sing	0.00Å	1.49Å
C5	C6	sing	0.00Å	1.54Å
C6	C7	sing	0.00Å	1.50Å
C7	C8	sing	0.00Å	1.50Å
C8	C9	sing	0.00Å	1.62Å
C9	C10	sing	0.00Å	1.57Å
C11	C12	sing	0.00Å	1.52Å
C12	C13	sing	0.00Å	1.51Å
C13	C14	sing	0.00Å	1.41Å
C13	C17	sing	0.00Å	1.41Å
C14	C15	doub	0.00Å	1.41Å
C14	C18	sing	0.00Å	1.50Å
C15	C16	sing	0.00Å	1.40Å
C15	C19	sing	0.00Å	1.50Å
C16	C17	doub	0.00Å	1.41Å
C16	C20	sing	0.00Å	1.50Å
C17	C21	sing	0.00Å	1.50Å
RH	CL1	sing	0.00Å	2.41Å
N1	H1	sing	0.00Å	1.00Å
C2	H2	sing	0.00Å	1.10Å
N2	H3	sing	0.00Å	1.00Å
C3	H4	sing	0.00Å	1.10Å
C3	H5	sing	0.00Å	1.10Å
N3	H6	sing	0.00Å	1.00Å
C4	H7	sing	0.00Å	1.10Å
C5	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C6	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C7	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C8	H14	sing	0.00Å	1.10Å
C9	H15	sing	0.00Å	1.10Å
C9	H16	sing	0.00Å	1.10Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.10Å
C12	H20	sing	0.00Å	1.10Å
C18	H21	sing	0.00Å	1.10Å
C18	H22	sing	0.00Å	1.10Å
C18	H23	sing	0.00Å	1.10Å
C19	H24	sing	0.00Å	1.10Å
C19	H25	sing	0.00Å	1.10Å
C19	H26	sing	0.00Å	1.10Å
C20	H27	sing	0.00Å	1.10Å
C20	H28	sing	0.00Å	1.10Å
C20	H29	sing	0.00Å	1.10Å
C21	H30	sing	0.00Å	1.10Å
C21	H31	sing	0.00Å	1.10Å
C21	H32	sing	0.00Å	1.10Å
RH	CL2	sing	0.00Å	37.47Å
RH	CL3	sing	0.00Å	37.47Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	RH	C14	39.3°	90.0°
C13	RH	C15	66.2°	90.0°
C13	RH	C16	65.6°	90.0°
C13	RH	C17	39.1°	90.0°
RH	C13	C12	127.4°	90.0°
RH	C13	C14	68.9°	90.0°
RH	C13	C17	69.7°	90.0°
C13	RH	CL1	157.8°	90.0°
C13	RH	CL2	26.3°	90.0°
C13	RH	CL3	26.3°	90.0°
C14	RH	C15	39.6°	90.0°
C14	RH	C16	65.5°	90.0°
C14	RH	C17	65.6°	90.0°
RH	C14	C13	71.8°	90.0°
RH	C14	C15	70.9°	90.0°
RH	C14	C18	124.6°	90.0°
C14	RH	CL1	140.0°	90.0°
C14	RH	CL2	56.9°	90.0°
C14	RH	CL3	56.9°	90.0°
C15	RH	C16	38.9°	90.0°
C15	RH	C17	65.7°	90.0°
RH	C15	C14	69.5°	90.0°
RH	C15	C16	71.6°	90.0°
RH	C15	C19	125.4°	90.0°
C15	RH	CL1	102.9°	90.0°
C15	RH	CL2	66.2°	90.0°
C15	RH	CL3	66.2°	90.0°
C16	RH	C17	39.0°	90.0°
RH	C16	C15	69.5°	90.0°
RH	C16	C17	69.4°	90.0°
RH	C16	C20	124.6°	90.0°
C16	RH	CL1	93.6°	90.0°
C16	RH	CL2	47.7°	90.0°
C16	RH	CL3	47.7°	90.0°
RH	C17	C13	71.2°	90.0°
RH	C17	C16	71.6°	90.0°
RH	C17	C21	124.6°	90.0°
C17	RH	CL1	119.3°	90.0°
C17	RH	CL2	13.0°	90.0°
C17	RH	CL3	13.0°	90.0°
N1	C1	O1	123.5°	90.0°
N1	C1	N2	112.4°	90.0°
C1	N1	C2	110.0°	90.0°
C1	N1	H1	125.0°	90.0°
O1	C1	N2	123.8°	90.0°
C1	N2	C4	115.6°	90.0°
C1	N2	H3	122.2°	90.0°
N1	C2	C3	113.1°	90.0°
N1	C2	C4	103.3°	90.0°
C2	N1	H1	125.0°	90.0°
N1	C2	H2	111.8°	90.0°
C3	S1	C5	86.7°	90.0°
S1	C3	C2	106.8°	90.0°
S1	C3	H4	110.2°	90.0°
S1	C3	H5	110.1°	90.0°
S1	C5	C4	104.7°	90.0°
S1	C5	C6	110.1°	90.0°
S1	C5	H8	107.8°	90.0°
C3	C2	C4	102.0°	90.0°
C3	C2	H2	112.4°	90.0°
C2	C3	H4	110.2°	90.0°
C2	C3	H5	110.1°	90.0°
C2	C4	N2	98.1°	90.0°
C2	C4	C5	113.4°	90.0°
C4	C2	H2	113.6°	90.0°
C2	C4	H7	112.6°	90.0°
N2	C4	C5	106.2°	90.0°
C4	N2	H3	122.2°	90.0°
N2	C4	H7	112.2°	90.0°
O2	C10	N3	121.6°	90.0°
O2	C10	C9	118.9°	90.0°
C10	N3	C11	112.3°	90.0°
N3	C10	C9	119.5°	90.0°
C10	N3	H6	123.8°	90.0°
N3	C11	C12	121.4°	90.0°
C11	N3	H6	123.8°	90.0°
N3	C11	H17	106.4°	90.0°
N3	C11	H18	106.4°	90.0°
C4	C5	C6	111.2°	90.0°
C5	C4	H7	113.3°	90.0°
C4	C5	H8	111.8°	90.0°
C5	C6	C7	105.9°	90.0°
C6	C5	H8	111.0°	90.0°
C5	C6	H9	110.4°	90.0°
C5	C6	H10	110.4°	90.0°
C6	C7	C8	112.0°	90.0°
C7	C6	H9	110.3°	90.0°
C7	C6	H10	110.4°	90.0°
C6	C7	H11	108.8°	90.0°
C6	C7	H12	108.8°	90.0°
C7	C8	C9	108.9°	90.0°
C8	C7	H11	108.9°	90.0°
C8	C7	H12	108.8°	90.0°
C7	C8	H13	109.6°	90.0°
C7	C8	H14	109.6°	90.0°
C8	C9	C10	111.1°	90.0°
C9	C8	H13	109.6°	90.0°
C9	C8	H14	109.6°	90.0°
C8	C9	H15	109.1°	90.0°
C8	C9	H16	109.1°	90.0°
C10	C9	H15	109.1°	90.0°
C10	C9	H16	109.1°	90.0°
C11	C12	C13	109.5°	90.0°
C12	C11	H17	106.4°	90.0°
C12	C11	H18	106.4°	90.0°
C11	C12	H19	109.5°	90.0°
C11	C12	H20	109.5°	90.0°
C12	C13	C14	124.8°	90.0°
C12	C13	C17	128.7°	90.0°
C13	C12	H19	109.5°	90.0°
C13	C12	H20	109.5°	90.0°
C14	C13	C17	106.5°	90.0°
C13	C14	C15	109.1°	90.0°
C13	C14	C18	125.2°	90.0°
C13	C17	C16	109.1°	90.0°
C13	C17	C21	126.4°	90.0°
C15	C14	C18	125.7°	90.0°
C14	C15	C16	107.4°	90.0°
C14	C15	C19	125.7°	90.0°
C14	C18	H21	109.5°	90.0°
C14	C18	H22	109.5°	90.0°
C14	C18	H23	109.5°	90.0°
C16	C15	C19	126.8°	90.0°
C15	C16	C17	107.8°	90.0°
C15	C16	C20	126.8°	90.0°
C15	C19	H24	109.5°	90.0°
C15	C19	H25	109.5°	90.0°
C15	C19	H26	109.5°	90.0°
C17	C16	C20	125.3°	90.0°
C16	C17	C21	124.4°	90.0°
C16	C20	H27	109.5°	90.0°
C16	C20	H28	109.5°	90.0°
C16	C20	H29	109.5°	90.0°
C17	C21	H30	109.5°	90.0°
C17	C21	H31	109.5°	90.0°
C17	C21	H32	109.5°	90.0°
CL1	RH	CL2	132.3°	90.0°
CL1	RH	CL3	132.3°	90.0°
H4	C3	H5	109.4°	90.0°
H9	C6	H10	109.5°	90.0°
H11	C7	H12	109.5°	90.0°
H13	C8	H14	109.5°	90.0°
H15	C9	H16	109.5°	90.0°
H17	C11	H18	109.5°	90.0°
H19	C12	H20	109.5°	90.0°
H21	C18	H22	109.4°	90.0°
H21	C18	H23	109.5°	90.0°
H22	C18	H23	109.5°	90.0°
H24	C19	H25	109.5°	90.0°
H24	C19	H26	109.5°	90.0°
H25	C19	H26	109.5°	90.0°
H27	C20	H28	109.5°	90.0°
H27	C20	H29	109.5°	90.0°
H28	C20	H29	109.5°	90.0°
H30	C21	H31	109.4°	90.0°
H30	C21	H32	109.5°	90.0°
H31	C21	H32	109.5°	90.0°
CL2	RH	CL3	0.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	RH	C14	C15	118.5°	90.0°
C13	RH	C14	C16	80.8°	90.0°
C13	RH	C14	C17	37.8°	90.0°
C13	RH	C14	CL1	144.9°	90.0°
C13	RH	C14	CL2	26.7°	90.0°
C13	RH	C14	CL3	26.7°	90.0°
C13	RH	C15	C16	80.0°	90.0°
C13	RH	C15	C17	43.0°	90.0°
C13	RH	C15	CL1	159.6°	90.0°
C13	RH	C15	CL2	28.7°	90.0°
C13	RH	C15	CL3	28.7°	90.0°
C13	RH	C16	C17	37.5°	90.0°
C13	RH	C16	CL1	172.0°	90.0°
C13	RH	C16	CL2	23.3°	90.0°
C13	RH	C16	CL3	23.3°	90.0°
C13	RH	C17	CL1	173.2°	90.0°
C13	RH	C17	CL2	7.7°	90.0°
C13	RH	C17	CL3	7.7°	90.0°
RH	C13	C12	C11	178.5°	90.0°
RH	C13	C12	C14	88.8°	90.0°
RH	C13	C12	C17	93.0°	90.0°
C13	RH	C14	C18	120.6°	90.0°
C13	RH	C15	C19	157.4°	90.0°
C13	RH	C16	C20	156.9°	90.0°
C13	RH	C17	C21	121.8°	90.0°
C13	RH	CL1	CL2	11.7°	90.0°
C13	RH	CL1	CL3	11.7°	90.0°
RH	C13	C12	H19	58.5°	90.0°
RH	C13	C12	H20	61.5°	90.0°
C13	RH	CL2	CL3	90.0°	90.0°
C14	RH	C15	C16	117.5°	90.0°
C14	RH	C15	C17	80.5°	90.0°
C14	RH	C15	CL1	163.0°	90.0°
C14	RH	C15	CL2	66.2°	90.0°
C14	RH	C15	CL3	66.2°	90.0°
C14	RH	C16	C17	80.9°	90.0°
C14	RH	C16	CL1	144.6°	90.0°
C14	RH	C16	CL2	66.6°	90.0°
C14	RH	C16	CL3	66.6°	90.0°
C14	RH	C17	CL1	135.2°	90.0°
C14	RH	C17	CL2	45.6°	90.0°
C14	RH	C17	CL3	45.6°	90.0°
RH	C14	C15	C18	119.5°	90.0°
C14	RH	C15	C19	119.9°	90.0°
C14	RH	C16	C20	159.7°	90.0°
C14	RH	C17	C21	159.8°	90.0°
C14	RH	CL1	CL2	86.2°	90.0°
C14	RH	CL1	CL3	86.2°	90.0°
RH	C14	C18	H21	180.0°	90.0°
RH	C14	C18	H22	60.0°	90.0°
RH	C14	C18	H23	60.0°	90.0°
C14	RH	CL2	CL3	90.0°	90.0°
C15	RH	C16	C17	119.3°	90.0°
C15	RH	C16	CL1	106.1°	90.0°
C15	RH	C16	CL2	105.1°	90.0°
C15	RH	C16	CL3	105.1°	90.0°
C15	RH	C17	CL1	91.5°	90.0°
C15	RH	C17	CL2	89.3°	90.0°
C15	RH	C17	CL3	89.3°	90.0°
C15	RH	C13	C12	156.1°	90.0°
RH	C15	C16	C19	120.9°	90.0°
C15	RH	C16	C20	121.2°	90.0°
C15	RH	C17	C21	156.5°	90.0°
C15	RH	CL1	CL2	69.4°	90.0°
C15	RH	CL1	CL3	69.4°	90.0°
RH	C15	C19	H24	180.0°	90.0°
RH	C15	C19	H25	60.0°	90.0°
RH	C15	C19	H26	60.0°	90.0°
C15	RH	CL2	CL3	90.0°	90.0°
C16	RH	C17	CL1	54.6°	90.0°
C16	RH	C17	CL2	126.2°	90.0°
C16	RH	C17	CL3	126.2°	90.0°
C16	RH	C13	C12	161.1°	90.0°
C16	RH	C14	C18	158.6°	90.0°
RH	C16	C17	C20	118.5°	90.0°
C16	RH	C17	C21	119.7°	90.0°
C16	RH	CL1	CL2	31.2°	90.0°
C16	RH	CL1	CL3	31.2°	90.0°
RH	C16	C20	H27	180.0°	90.0°
RH	C16	C20	H28	60.0°	90.0°
RH	C16	C20	H29	60.0°	90.0°
C16	RH	CL2	CL3	90.0°	90.0°
C17	RH	C14	C18	158.4°	90.0°
C17	RH	C15	C19	159.6°	90.0°
C17	RH	CL1	CL2	0.3°	90.0°
C17	RH	CL1	CL3	0.3°	90.0°
RH	C17	C21	H30	180.0°	90.0°
RH	C17	C21	H31	60.0°	90.0°
RH	C17	C21	H32	60.0°	90.0°
C17	RH	CL2	CL3	90.0°	90.0°
N1	C1	O1	N2	173.9°	90.0°
C1	N1	C2	H1	180.0°	90.0°
C1	N1	C2	C3	106.2°	90.0°
C1	N1	C2	C4	3.2°	90.0°
N1	C1	N2	C4	7.0°	90.0°
C1	N1	C2	H2	125.7°	90.0°
N1	C1	N2	H3	173.0°	90.0°
O1	C1	N1	C2	176.6°	90.0°
O1	C1	N2	C4	178.5°	90.0°
O1	C1	N1	H1	3.4°	90.0°
O1	C1	N2	H3	1.5°	90.0°
N2	C1	N1	C2	2.1°	90.0°
C1	N2	C4	C2	8.2°	90.0°
C1	N2	C4	H3	180.0°	90.0°
C1	N2	C4	C5	125.5°	90.0°
N2	C1	N1	H1	177.9°	90.0°
C1	N2	C4	H7	110.2°	90.0°
N1	C2	C3	S1	76.6°	90.0°
N1	C2	C3	C4	110.2°	90.0°
N1	C2	C3	H2	127.8°	90.0°
N1	C2	C4	H2	121.3°	90.0°
N1	C2	C4	N2	6.0°	90.0°
N1	C2	C4	C5	117.5°	90.0°
N1	C2	C3	H4	43.0°	90.0°
N1	C2	C3	H5	163.8°	90.0°
N1	C2	C4	H7	112.3°	90.0°
S1	C3	C2	H4	119.6°	90.0°
S1	C3	C2	H5	119.6°	90.0°
S1	C3	C2	C4	33.6°	90.0°
C3	S1	C5	C4	45.1°	90.0°
C3	S1	C5	C6	164.7°	90.0°
S1	C3	C2	H2	155.6°	90.0°
S1	C3	H4	H5	121.2°	90.0°
C3	S1	C5	H8	74.1°	90.0°
C5	S1	C3	C2	46.3°	90.0°
S1	C5	C4	C2	32.6°	90.0°
S1	C5	C4	N2	74.0°	90.0°
S1	C5	C4	C6	118.9°	90.0°
S1	C5	C4	H8	116.4°	90.0°
S1	C5	C6	H8	119.3°	90.0°
S1	C5	C6	C7	93.2°	90.0°
C5	S1	C3	H4	165.9°	90.0°
C5	S1	C3	H5	73.3°	90.0°
S1	C5	C4	H7	162.4°	90.0°
S1	C5	C6	H9	26.2°	90.0°
S1	C5	C6	H10	147.3°	90.0°
C3	C2	C4	H2	121.2°	90.0°
C3	C2	C4	N2	111.6°	90.0°
C3	C2	C4	C5	0.0°	90.0°
C3	C2	N1	H1	73.8°	90.0°
C2	C3	H4	H5	121.2°	90.0°
C3	C2	C4	H7	130.2°	90.0°
C2	C4	N2	C5	117.3°	90.0°
C2	C4	N2	H7	118.5°	90.0°
C2	C4	C5	H7	129.9°	90.0°
C2	C4	C5	C6	151.4°	90.0°
C4	C2	N1	H1	176.8°	90.0°
C2	C4	N2	H3	171.8°	90.0°
C4	C2	C3	H4	153.2°	90.0°
C4	C2	C3	H5	86.0°	90.0°
C2	C4	C5	H8	83.8°	90.0°
N2	C4	C5	H7	123.6°	90.0°
N2	C4	C5	C6	44.9°	90.0°
N2	C4	C2	H2	127.3°	90.0°
N2	C4	C5	H8	169.7°	90.0°
O2	C10	N3	C9	179.5°	90.0°
O2	C10	N3	C11	0.9°	90.0°
O2	C10	C9	C8	39.2°	90.0°
O2	C10	N3	H6	179.1°	90.0°
O2	C10	C9	H15	159.4°	90.0°
O2	C10	C9	H16	81.0°	90.0°
C10	N3	C11	H6	180.0°	90.0°
N3	C10	C9	C8	141.3°	90.0°
C10	N3	C11	C12	56.4°	90.0°
N3	C10	C9	H15	21.0°	90.0°
N3	C10	C9	H16	98.5°	90.0°
C10	N3	C11	H17	178.0°	90.0°
C10	N3	C11	H18	65.3°	90.0°
C11	N3	C10	C9	178.6°	90.0°
N3	C11	C12	H17	121.6°	90.0°
N3	C11	C12	H18	121.6°	90.0°
N3	C11	C12	C13	175.6°	90.0°
N3	C11	H17	H18	114.6°	90.0°
N3	C11	C12	H19	55.6°	90.0°
N3	C11	C12	H20	64.4°	90.0°
C4	C5	C6	H8	125.2°	90.0°
C4	C5	C6	C7	151.2°	90.0°
C5	C4	C2	H2	121.2°	90.0°
C5	C4	N2	H3	54.5°	90.0°
C4	C5	C6	H9	89.3°	90.0°
C4	C5	C6	H10	31.8°	90.0°
C5	C6	C7	H9	119.4°	90.0°
C5	C6	C7	H10	119.4°	90.0°
C5	C6	C7	C8	173.2°	90.0°
C6	C5	C4	H7	78.7°	90.0°
C5	C6	H9	H10	121.7°	90.0°
C5	C6	C7	H11	66.4°	90.0°
C5	C6	C7	H12	52.8°	90.0°
C6	C7	C8	H11	120.4°	90.0°
C6	C7	C8	H12	120.4°	90.0°
C6	C7	C8	C9	160.1°	90.0°
C7	C6	C5	H8	26.0°	90.0°
C7	C6	H9	H10	121.7°	90.0°
C6	C7	H11	H12	118.8°	90.0°
C6	C7	C8	H13	40.2°	90.0°
C6	C7	C8	H14	80.0°	90.0°
C7	C8	C9	H13	119.9°	90.0°
C7	C8	C9	H14	119.9°	90.0°
C7	C8	C9	C10	73.1°	90.0°
C8	C7	C6	H9	53.8°	90.0°
C8	C7	C6	H10	67.3°	90.0°
C8	C7	H11	H12	118.8°	90.0°
C7	C8	H13	H14	120.3°	90.0°
C7	C8	C9	H15	47.1°	90.0°
C7	C8	C9	H16	166.7°	90.0°
C8	C9	C10	H15	120.2°	90.0°
C8	C9	C10	H16	120.2°	90.0°
C9	C8	C7	H11	79.5°	90.0°
C9	C8	C7	H12	39.7°	90.0°
C9	C8	H13	H14	120.2°	90.0°
C8	C9	H15	H16	119.3°	90.0°
C9	C10	N3	H6	1.4°	90.0°
C10	C9	C8	H13	167.0°	90.0°
C10	C9	C8	H14	46.8°	90.0°
C10	C9	H15	H16	119.3°	90.0°
C11	C12	C13	H19	120.0°	90.0°
C11	C12	C13	H20	120.0°	90.0°
C11	C12	C13	C14	92.7°	90.0°
C11	C12	C13	C17	85.5°	90.0°
C12	C11	N3	H6	123.6°	90.0°
C12	C11	H17	H18	114.7°	90.0°
C11	C12	H19	H20	120.0°	90.0°
C12	C13	C14	C17	178.6°	90.0°
C12	C13	C14	C15	176.9°	90.0°
C12	C13	C14	C18	1.6°	90.0°
C12	C13	C17	C16	175.9°	90.0°
C12	C13	C17	C21	2.5°	90.0°
C12	C13	RH	CL1	139.7°	90.0°
C13	C12	C11	H17	62.8°	90.0°
C13	C12	C11	H18	54.0°	90.0°
C13	C12	H19	H20	120.0°	90.0°
C12	C13	RH	CL2	119.9°	90.0°
C12	C13	RH	CL3	119.9°	90.0°
C13	C14	C15	C18	178.5°	90.0°
C13	C14	C15	C16	0.1°	90.0°
C13	C14	C15	C19	178.5°	90.0°
C14	C13	C17	C16	2.6°	90.0°
C14	C13	C17	C21	179.0°	90.0°
C14	C13	C12	H19	147.3°	90.0°
C14	C13	C12	H20	27.3°	90.0°
C13	C14	C18	H21	88.8°	90.0°
C13	C14	C18	H22	151.3°	90.0°
C13	C14	C18	H23	31.2°	90.0°
C17	C13	C14	C15	1.6°	90.0°
C17	C13	C14	C18	179.8°	90.0°
C13	C17	C16	C15	2.6°	90.0°
C13	C17	C16	C21	178.4°	90.0°
C13	C17	C16	C20	179.8°	90.0°
C17	C13	C12	H19	34.5°	90.0°
C17	C13	C12	H20	154.5°	90.0°
C13	C17	C21	H30	88.7°	90.0°
C13	C17	C21	H31	31.3°	90.0°
C13	C17	C21	H32	151.3°	90.0°
C14	C15	C16	C19	178.5°	90.0°
C14	C15	C16	C17	1.5°	90.0°
C14	C15	C16	C20	179.1°	90.0°
C15	C14	C18	H21	89.5°	90.0°
C15	C14	C18	H22	30.4°	90.0°
C15	C14	C18	H23	150.5°	90.0°
C14	C15	C19	H24	91.1°	90.0°
C14	C15	C19	H25	148.9°	90.0°
C14	C15	C19	H26	28.9°	90.0°
C18	C14	C15	C16	178.6°	90.0°
C18	C14	C15	C19	0.0°	90.0°
C18	C14	RH	CL1	94.5°	90.0°
C14	C18	H21	H22	120.0°	90.0°
C14	C18	H21	H23	120.0°	90.0°
C14	C18	H22	H23	120.0°	90.0°
C18	C14	RH	CL2	147.3°	90.0°
C18	C14	RH	CL3	147.3°	90.0°
C15	C16	C17	C20	177.6°	90.0°
C15	C16	C17	C21	179.0°	90.0°
C16	C15	C19	H24	87.2°	90.0°
C16	C15	C19	H25	32.8°	90.0°
C16	C15	C19	H26	152.8°	90.0°
C15	C16	C20	H27	90.9°	90.0°
C15	C16	C20	H28	149.1°	90.0°
C15	C16	C20	H29	29.1°	90.0°
C19	C15	C16	C17	179.9°	90.0°
C19	C15	C16	C20	2.4°	90.0°
C19	C15	RH	CL1	43.1°	90.0°
C15	C19	H24	H25	120.0°	90.0°
C15	C19	H24	H26	120.0°	90.0°
C15	C19	H25	H26	120.0°	90.0°
C19	C15	RH	CL2	173.9°	90.0°
C19	C15	RH	CL3	173.9°	90.0°
C17	C16	C20	H27	92.0°	90.0°
C17	C16	C20	H28	28.0°	90.0°
C17	C16	C20	H29	148.0°	90.0°
C16	C17	C21	H30	89.4°	90.0°
C16	C17	C21	H31	150.6°	90.0°
C16	C17	C21	H32	30.6°	90.0°
C20	C16	C17	C21	1.4°	90.0°
C20	C16	RH	CL1	15.1°	90.0°
C16	C20	H27	H28	120.0°	90.0°
C16	C20	H27	H29	120.0°	90.0°
C16	C20	H28	H29	120.0°	90.0°
C20	C16	RH	CL2	133.7°	90.0°
C20	C16	RH	CL3	133.7°	90.0°
C21	C17	RH	CL1	65.0°	90.0°
C17	C21	H30	H31	120.0°	90.0°
C17	C21	H30	H32	120.0°	90.0°
C17	C21	H31	H32	120.0°	90.0°
C21	C17	RH	CL2	114.1°	90.0°
C21	C17	RH	CL3	114.1°	90.0°
CL1	RH	CL2	CL3	90.0°	90.0°
H1	N1	C2	H2	54.3°	90.0°
H2	C2	C3	H4	84.8°	90.0°
H2	C2	C3	H5	36.1°	90.0°
H2	C2	C4	H7	9.0°	90.0°
H3	N2	C4	H7	69.8°	90.0°
H6	N3	C11	H17	2.0°	90.0°
H6	N3	C11	H18	114.7°	90.0°
H7	C4	C5	H8	46.1°	90.0°
H8	C5	C6	H9	145.5°	90.0°
H8	C5	C6	H10	93.4°	90.0°
H9	C6	C7	H11	174.2°	90.0°
H9	C6	C7	H12	66.6°	90.0°
H10	C6	C7	H11	53.1°	90.0°
H10	C6	C7	H12	172.3°	90.0°
H11	C7	C8	H13	160.6°	90.0°
H11	C7	C8	H14	40.4°	90.0°
H12	C7	C8	H13	80.2°	90.0°
H12	C7	C8	H14	159.6°	90.0°
H13	C8	C9	H15	72.7°	90.0°
H13	C8	C9	H16	46.8°	90.0°
H14	C8	C9	H15	167.1°	90.0°
H14	C8	C9	H16	73.4°	90.0°
H17	C11	C12	H19	177.2°	90.0°
H17	C11	C12	H20	57.2°	90.0°
H18	C11	C12	H19	66.0°	90.0°
H18	C11	C12	H20	174.0°	90.0°
H21	C18	H22	H23	120.0°	90.0°
H24	C19	H25	H26	120.0°	90.0°
H27	C20	H28	H29	120.0°	90.0°
H30	C21	H31	H32	120.0°	90.0°

Release date:	2024-02-28
Definition date:	2022-08-26
Last modified:	2025-11-11
Release status:	REL
Processing site:	PDBJ
Derived from:	8GOG