FEM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	C1	sing	2.04Å	2.08Å
FE	C2	sing	2.04Å	2.08Å
FE	C3	sing	2.04Å	2.09Å
FE	C4	sing	2.04Å	2.09Å
FE	C5	sing	2.04Å	2.08Å
FE	C6	sing	2.04Å	2.09Å
FE	C7	sing	2.04Å	2.09Å
FE	C8	sing	2.04Å	2.09Å
FE	C9	sing	2.04Å	2.09Å
FE	C10	sing	2.04Å	2.09Å
C1	C2	doub	1.39Å	1.40Å
C1	C5	sing	1.39Å	1.40Å
C1	C11	sing	1.50Å	1.53Å
C2	C3	sing	1.42Å	1.39Å
C2	H2	sing	0.94Å	1.10Å
C3	C4	sing	1.41Å	1.40Å
C3	H3	sing	0.94Å	1.10Å
C4	C5	doub	1.42Å	1.39Å
C4	H4	sing	0.94Å	1.10Å
C5	H5	sing	0.94Å	1.10Å
C6	C7	doub	1.41Å	1.40Å
C6	C10	sing	1.41Å	1.40Å
C6	H6	sing	0.94Å	1.10Å
C7	C8	sing	1.41Å	1.40Å
C7	H7	sing	0.94Å	1.10Å
C8	C9	doub	1.41Å	1.40Å
C8	H8	sing	0.94Å	1.10Å
C9	C10	sing	1.41Å	1.40Å
C9	H9	sing	0.94Å	1.10Å
C10	H10	sing	0.94Å	1.10Å
C11	C12	sing	1.52Å	1.54Å
C11	H111	sing	0.98Å	1.10Å
C11	H112	sing	0.98Å	1.10Å
C12	N13	sing	1.47Å	1.46Å
C12	H121	sing	0.98Å	1.10Å
C12	H122	sing	0.98Å	1.10Å
N13	C14	sing	1.39Å	1.34Å
N13	C17	sing	1.39Å	1.35Å
C14	C15	sing	1.50Å	1.51Å
C14	O18	doub	1.24Å	1.21Å
C15	C16	sing	1.51Å	1.56Å
C15	H151	sing	0.97Å	1.10Å
C15	H152	sing	0.97Å	1.10Å
C16	C17	sing	1.50Å	1.50Å
C16	H161	sing	0.97Å	1.10Å
C16	H162	sing	0.97Å	1.10Å
C17	O19	doub	1.24Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	FE	C2	39.2°	39.9°
C1	FE	C3	65.7°	68.0°
C1	FE	C4	65.7°	68.0°
C1	FE	C5	39.3°	39.9°
C1	FE	C6	179.6°	159.1°
C1	FE	C7	140.6°	159.1°
C1	FE	C8	114.4°	123.2°
C1	FE	C9	114.5°	108.0°
C1	FE	C10	141.1°	123.2°
FE	C1	C2	70.6°	70.0°
FE	C1	C5	70.4°	69.9°
FE	C1	C11	127.8°	126.0°
C2	FE	C3	39.1°	40.8°
C2	FE	C4	65.7°	67.9°
C2	FE	C5	65.8°	67.3°
C2	FE	C6	141.1°	123.7°
C2	FE	C7	179.8°	159.6°
C2	FE	C8	140.9°	158.6°
C2	FE	C9	114.6°	123.0°
C2	FE	C10	114.6°	108.2°
FE	C2	C1	70.2°	70.2°
FE	C2	C3	70.6°	69.7°
FE	C2	H2	112.6°	125.8°
C3	FE	C4	39.2°	40.3°
C3	FE	C5	65.7°	68.0°
C3	FE	C6	114.5°	108.0°
C3	FE	C7	140.9°	123.2°
C3	FE	C8	179.9°	159.0°
C3	FE	C9	140.9°	159.1°
C3	FE	C10	114.5°	123.2°
FE	C3	C2	70.3°	69.5°
FE	C3	C4	70.4°	69.9°
FE	C3	H3	112.6°	126.0°
C4	FE	C5	39.1°	40.8°
C4	FE	C6	114.2°	123.1°
C4	FE	C7	114.2°	107.9°
C4	FE	C8	140.8°	123.2°
C4	FE	C9	179.7°	159.1°
C4	FE	C10	140.8°	159.0°
FE	C4	C3	70.4°	69.8°
FE	C4	C5	70.3°	69.5°
FE	C4	H4	112.6°	126.0°
C5	FE	C6	140.4°	159.5°
C5	FE	C7	114.0°	123.6°
C5	FE	C8	114.3°	108.1°
C5	FE	C9	141.0°	123.0°
C5	FE	C10	179.5°	158.7°
FE	C5	C1	70.2°	70.2°
FE	C5	C4	70.6°	69.7°
FE	C5	H5	112.8°	125.8°
C6	FE	C7	39.0°	40.5°
C6	FE	C8	65.5°	68.1°
C6	FE	C9	65.6°	68.1°
C6	FE	C10	39.2°	40.5°
FE	C6	C7	70.6°	69.7°
FE	C6	C10	70.4°	69.8°
FE	C6	H6	112.6°	126.0°
C7	FE	C8	39.0°	40.5°
C7	FE	C9	65.5°	68.1°
C7	FE	C10	65.5°	68.1°
FE	C7	C6	70.3°	69.8°
FE	C7	C8	70.5°	69.8°
FE	C7	H7	112.6°	126.1°
C8	FE	C9	39.0°	40.5°
C8	FE	C10	65.5°	68.1°
FE	C8	C7	70.4°	69.7°
FE	C8	C9	70.5°	69.7°
FE	C8	H8	112.6°	126.0°
C9	FE	C10	39.1°	40.5°
FE	C9	C8	70.5°	69.8°
FE	C9	C10	70.3°	69.8°
FE	C9	H9	112.6°	126.1°
FE	C10	C6	70.4°	69.8°
FE	C10	C9	70.6°	69.7°
FE	C10	H10	112.7°	126.0°
C2	C1	C5	108.0°	108.4°
C2	C1	C11	125.9°	125.8°
C1	C2	C3	108.0°	108.4°
C1	C2	H2	125.0°	125.2°
C5	C1	C11	125.9°	125.8°
C1	C5	C4	107.9°	108.4°
C1	C5	H5	125.1°	125.3°
C1	C11	C12	110.3°	113.7°
C1	C11	H111	109.3°	108.9°
C1	C11	H112	109.3°	108.8°
C3	C2	H2	125.1°	126.4°
C2	C3	C4	108.0°	107.5°
C2	C3	H3	125.1°	126.2°
C4	C3	H3	125.0°	126.3°
C3	C4	C5	108.1°	107.4°
C3	C4	H4	124.9°	126.3°
C5	C4	H4	125.1°	126.3°
C4	C5	H5	125.2°	126.4°
C7	C6	C10	108.1°	108.0°
C7	C6	H6	125.1°	126.0°
C6	C7	C8	108.0°	108.0°
C6	C7	H7	125.1°	126.0°
C10	C6	H6	125.1°	126.0°
C6	C10	C9	108.0°	108.0°
C6	C10	H10	125.1°	126.0°
C8	C7	H7	125.1°	126.0°
C7	C8	C9	108.1°	108.0°
C7	C8	H8	125.0°	126.0°
C9	C8	H8	125.0°	126.0°
C8	C9	C10	107.9°	108.0°
C8	C9	H9	125.1°	126.0°
C10	C9	H9	125.1°	126.0°
C9	C10	H10	125.1°	126.0°
C12	C11	H111	109.3°	108.9°
C12	C11	H112	109.3°	108.9°
C11	C12	N13	109.2°	111.9°
C11	C12	H121	109.5°	109.3°
C11	C12	H122	109.5°	109.2°
H111	C11	H112	109.5°	107.6°
N13	C12	H121	109.6°	109.2°
N13	C12	H122	109.6°	109.3°
C12	N13	C14	124.0°	123.9°
C12	N13	C17	122.5°	123.8°
H121	C12	H122	109.4°	107.8°
C14	N13	C17	113.5°	112.4°
N13	C14	C15	109.8°	108.6°
N13	C14	O18	126.5°	125.3°
N13	C17	C16	109.2°	108.6°
N13	C17	O19	127.0°	125.3°
C15	C14	O18	123.7°	126.1°
C14	C15	C16	102.5°	105.2°
C14	C15	H151	111.2°	110.6°
C14	C15	H152	111.2°	110.6°
C16	C15	H151	111.2°	110.8°
C16	C15	H152	111.2°	110.8°
C15	C16	C17	103.1°	105.3°
C15	C16	H161	111.0°	110.8°
C15	C16	H162	111.0°	110.8°
H151	C15	H152	109.5°	108.8°
C17	C16	H161	111.0°	110.6°
C17	C16	H162	111.1°	110.6°
C16	C17	O19	123.8°	126.2°
H161	C16	H162	109.5°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	FE	C2	C3	118.4°	119.4°
C1	FE	C2	C4	80.8°	81.6°
C1	FE	C2	C5	37.7°	37.3°
C1	FE	C2	C6	179.8°	162.4°
C1	FE	C2	C7	18.3°	163.8°
C1	FE	C2	C8	61.7°	44.4°
C1	FE	C2	C9	99.3°	78.3°
C1	FE	C2	C10	142.5°	120.5°
C1	FE	C3	C4	80.8°	81.5°
C1	FE	C3	C5	43.4°	43.2°
C1	FE	C3	C6	179.7°	158.1°
C1	FE	C3	C7	142.1°	159.9°
C1	FE	C3	C8	151.0°	126.4°
C1	FE	C3	C9	99.6°	82.8°
C1	FE	C3	C10	137.1°	116.2°
C1	FE	C4	C5	37.8°	37.1°
C1	FE	C4	C6	179.6°	159.9°
C1	FE	C4	C7	136.6°	158.1°
C1	FE	C4	C8	99.4°	116.2°
C1	FE	C4	C9	151.5°	82.8°
C1	FE	C4	C10	143.0°	126.5°
C1	FE	C5	C6	179.6°	163.9°
C1	FE	C5	C7	142.3°	162.4°
C1	FE	C5	C8	99.3°	120.4°
C1	FE	C5	C9	62.2°	78.3°
C1	FE	C5	C10	166.2°	44.5°
C1	FE	C6	C7	21.9°	164.5°
C1	FE	C6	C8	59.5°	126.8°
C1	FE	C6	C9	102.6°	83.0°
C1	FE	C6	C10	140.2°	45.3°
C1	FE	C7	C8	61.9°	45.4°
C1	FE	C7	C9	99.4°	83.1°
C1	FE	C7	C10	142.6°	126.9°
C1	FE	C8	C9	99.5°	78.6°
C1	FE	C8	C10	137.1°	116.3°
C1	FE	C9	C10	142.7°	120.5°
FE	C1	C2	C11	123.2°	120.6°
FE	C1	C5	C11	123.1°	120.5°
C1	FE	C2	H2	120.7°	119.7°
C1	FE	C3	H3	158.5°	157.6°
C1	FE	C4	H4	158.7°	157.7°
C1	FE	C5	H5	120.7°	119.8°
C1	FE	C6	H6	99.0°	75.1°
C1	FE	C7	H7	58.9°	75.0°
C1	FE	C8	H8	21.3°	41.8°
C1	FE	C9	H9	21.9°	0.0°
C1	FE	C10	H10	59.5°	41.9°
FE	C1	C11	C12	175.6°	169.2°
FE	C1	C11	H111	64.3°	69.3°
FE	C1	C11	H112	55.5°	47.7°
C2	FE	C3	C4	118.4°	118.5°
C2	FE	C3	C5	81.0°	80.3°
C2	FE	C3	C6	142.7°	121.1°
C2	FE	C3	C7	179.7°	163.0°
C2	FE	C3	C8	113.3°	163.5°
C2	FE	C3	C9	62.0°	45.7°
C2	FE	C3	C10	99.5°	79.1°
C2	FE	C4	C5	81.0°	80.3°
C2	FE	C4	C6	137.2°	116.7°
C2	FE	C4	C7	179.8°	158.7°
C2	FE	C4	C8	142.6°	159.3°
C2	FE	C4	C9	165.2°	125.9°
C2	FE	C4	C10	99.7°	83.3°
C2	FE	C5	C6	142.7°	126.6°
C2	FE	C5	C7	179.9°	160.3°
C2	FE	C5	C8	137.0°	157.7°
C2	FE	C5	C9	99.8°	115.6°
C2	FE	C5	C10	156.2°	81.7°
C2	FE	C6	C7	179.9°	162.6°
C2	FE	C6	C8	142.5°	159.7°
C2	FE	C6	C9	99.5°	115.9°
C2	FE	C6	C10	61.8°	78.2°
C2	FE	C7	C8	80.2°	164.6°
C2	FE	C7	C9	117.7°	126.9°
C2	FE	C7	C10	160.8°	83.1°
C2	FE	C8	C9	61.8°	46.2°
C2	FE	C8	C10	99.5°	83.9°
C2	FE	C9	C10	99.4°	79.1°
FE	C2	C3	H2	104.5°	120.1°
C2	FE	C3	H3	120.9°	120.6°
C2	FE	C4	H4	158.1°	159.1°
C2	FE	C5	H5	158.4°	157.1°
C2	FE	C6	H6	59.0°	42.2°
C2	FE	C7	H7	40.6°	75.0°
C2	FE	C8	H8	58.9°	74.3°
C2	FE	C9	H9	21.5°	41.3°
C2	FE	C10	H10	21.6°	0.5°
C3	FE	C4	C5	118.5°	118.6°
C3	FE	C4	C6	99.7°	78.5°
C3	FE	C4	C7	142.7°	120.4°
C3	FE	C4	C8	179.9°	162.4°
C3	FE	C4	C9	127.7°	164.2°
C3	FE	C4	C10	62.2°	45.0°
C3	FE	C5	C6	99.7°	82.4°
C3	FE	C5	C7	137.0°	116.1°
C3	FE	C5	C8	180.0°	158.0°
C3	FE	C5	C9	142.8°	159.9°
C3	FE	C5	C10	113.1°	126.0°
C3	FE	C6	C7	142.5°	120.4°
C3	FE	C6	C8	180.0°	158.1°
C3	FE	C6	C9	136.9°	158.1°
C3	FE	C6	C10	99.3°	120.5°
C3	FE	C7	C8	179.9°	162.3°
C3	FE	C7	C9	142.4°	160.0°
C3	FE	C7	C10	99.3°	116.2°
C3	FE	C8	C9	51.4°	164.5°
C3	FE	C8	C10	13.8°	126.8°
C3	FE	C9	C10	61.7°	45.3°
C3	FE	C1	C11	158.4°	158.2°
FE	C3	C4	H3	104.4°	120.5°
C3	FE	C4	H4	120.6°	120.8°
C3	FE	C5	H5	158.6°	158.7°
C3	FE	C6	H6	21.5°	0.0°
C3	FE	C7	H7	59.2°	41.9°
C3	FE	C8	H8	172.2°	75.1°
C3	FE	C9	H9	59.2°	75.2°
C3	FE	C10	H10	21.5°	42.0°
C4	FE	C5	C6	62.1°	44.5°
C4	FE	C5	C7	99.5°	78.3°
C4	FE	C5	C8	142.4°	120.2°
C4	FE	C5	C9	179.6°	162.3°
C4	FE	C5	C10	75.6°	163.8°
C4	FE	C6	C7	99.2°	78.6°
C4	FE	C6	C8	136.8°	116.3°
C4	FE	C6	C9	179.9°	160.1°
C4	FE	C6	C10	142.5°	162.3°
C4	FE	C7	C8	142.6°	120.5°
C4	FE	C7	C9	179.9°	158.2°
C4	FE	C7	C10	136.8°	158.0°
C4	FE	C8	C9	179.7°	162.4°
C4	FE	C8	C10	142.0°	159.9°
C4	FE	C9	C10	65.8°	164.3°
C4	FE	C1	C11	158.4°	158.2°
C4	FE	C2	H2	158.5°	158.7°
FE	C4	C5	H4	104.3°	120.2°
C4	FE	C5	H5	121.0°	120.9°
C4	FE	C6	H6	21.7°	41.8°
C4	FE	C7	H7	21.7°	0.1°
C4	FE	C8	H8	59.6°	42.0°
C4	FE	C9	H9	173.3°	75.2°
C4	FE	C10	H10	59.4°	75.1°
C5	FE	C6	C7	61.6°	45.4°
C5	FE	C6	C8	99.1°	83.1°
C5	FE	C6	C9	142.2°	126.9°
C5	FE	C6	C10	179.8°	164.6°
C5	FE	C7	C8	99.6°	78.3°
C5	FE	C7	C9	137.1°	116.0°
C5	FE	C7	C10	179.8°	159.8°
C5	FE	C8	C9	142.9°	120.0°
C5	FE	C8	C10	179.5°	157.7°
C5	FE	C9	C10	179.3°	161.8°
C5	FE	C2	H2	158.5°	157.0°
C5	FE	C3	H3	158.2°	159.1°
C5	FE	C6	H6	59.4°	75.0°
C5	FE	C7	H7	21.3°	42.1°
C5	FE	C8	H8	22.1°	0.4°
C5	FE	C9	H9	59.9°	41.4°
C5	FE	C10	H10	134.4°	74.4°
C6	FE	C7	C8	118.3°	119.1°
C6	FE	C7	C9	80.8°	81.4°
C6	FE	C7	C10	37.7°	37.7°
C6	FE	C8	C9	80.8°	81.4°
C6	FE	C8	C10	43.2°	43.8°
C6	FE	C9	C10	37.7°	37.7°
C6	FE	C1	C11	80.9°	75.5°
C6	FE	C2	H2	59.5°	42.7°
C6	FE	C3	H3	21.8°	0.5°
C6	FE	C4	H4	21.0°	42.4°
C6	FE	C5	H5	58.9°	76.3°
FE	C6	C7	H6	104.6°	120.4°
FE	C6	C10	H6	104.5°	120.4°
C6	FE	C7	H7	120.9°	120.5°
C6	FE	C8	H8	158.4°	158.1°
C6	FE	C9	H9	158.5°	158.1°
C6	FE	C10	H10	120.9°	120.5°
C7	FE	C8	C9	118.4°	119.1°
C7	FE	C8	C10	80.8°	81.4°
C7	FE	C9	C10	80.8°	81.4°
C7	FE	C1	C11	59.1°	75.5°
C7	FE	C2	H2	139.1°	76.5°
C7	FE	C3	H3	59.4°	42.5°
C7	FE	C4	H4	22.0°	0.4°
C7	FE	C5	H5	21.6°	42.6°
FE	C7	C8	H7	104.4°	120.6°
C7	FE	C8	H8	120.8°	120.4°
C7	FE	C9	H9	158.4°	158.1°
C7	FE	C10	H10	158.4°	158.1°
C8	FE	C9	C10	118.3°	119.1°
C8	FE	C1	C11	21.6°	41.9°
C8	FE	C2	H2	59.0°	75.3°
C8	FE	C3	H3	7.5°	75.9°
C8	FE	C4	H4	59.3°	41.6°
C8	FE	C5	H5	21.4°	0.6°
C8	FE	C6	H6	158.5°	158.1°
FE	C8	C9	H8	104.4°	120.5°
C8	FE	C9	H9	120.9°	120.4°
C8	FE	C10	H10	158.5°	158.1°
C9	FE	C1	C11	21.5°	0.0°
C9	FE	C2	H2	21.4°	41.3°
C9	FE	C3	H3	58.9°	74.9°
C9	FE	C4	H4	7.1°	75.0°
C9	FE	C5	H5	58.6°	41.5°
C9	FE	C6	H6	158.4°	158.1°
C9	FE	C7	H7	158.3°	158.1°
FE	C9	C10	H9	104.3°	120.5°
C9	FE	C10	H10	121.0°	120.4°
C10	FE	C1	C11	59.0°	42.0°
C10	FE	C2	H2	21.8°	0.8°
C10	FE	C3	H3	21.4°	41.4°
C10	FE	C4	H4	58.4°	75.8°
C10	FE	C5	H5	45.5°	75.3°
C10	FE	C7	H7	158.5°	158.1°
C10	FE	C8	H8	158.4°	158.1°
C2	C1	C5	C11	176.0°	179.9°
C1	C2	C3	H2	165.0°	179.8°
C1	C2	C3	C4	0.1°	0.1°
C1	C2	C3	H3	164.9°	180.0°
C2	C1	C5	C4	0.0°	0.1°
C2	C1	C5	H5	165.3°	180.0°
C2	C1	C11	C12	83.2°	100.7°
C2	C1	C11	H111	156.7°	20.8°
C2	C1	C11	H112	37.0°	137.8°
C5	C1	C2	C3	0.0°	0.2°
C5	C1	C2	H2	165.1°	179.9°
C1	C5	C4	C3	0.0°	0.0°
C1	C5	C4	H5	165.3°	179.9°
C1	C5	C4	H4	164.9°	180.0°
C5	C1	C11	C12	92.1°	79.2°
C5	C1	C11	H111	28.0°	159.3°
C5	C1	C11	H112	147.7°	42.3°
C11	C1	C2	C3	176.0°	180.0°
C11	C1	C2	H2	18.9°	0.2°
C11	C1	C5	C4	176.0°	180.0°
C11	C1	C5	H5	18.7°	0.1°
C1	C11	C12	H111	120.1°	121.5°
C1	C11	C12	H112	120.1°	121.5°
C1	C11	H111	H112	119.7°	117.7°
C1	C11	C12	N13	171.3°	161.7°
C1	C11	C12	H121	68.8°	40.6°
C1	C11	C12	H122	51.3°	77.2°
C2	C3	C4	H3	165.0°	179.8°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	H4	165.0°	179.9°
H2	C2	C3	C4	165.1°	179.9°
H2	C2	C3	H3	0.1°	0.2°
C3	C4	C5	H4	164.9°	180.0°
C3	C4	C5	H5	165.3°	179.9°
H3	C3	C4	C5	164.9°	179.9°
H3	C3	C4	H4	0.0°	0.1°
H4	C4	C5	H5	0.4°	0.1°
C7	C6	C10	H6	165.4°	179.9°
C6	C7	C8	H7	165.1°	179.9°
C6	C7	C8	C9	0.0°	0.1°
C6	C7	C8	H8	165.0°	180.0°
C7	C6	C10	C9	0.0°	0.0°
C7	C6	C10	H10	165.4°	179.9°
C10	C6	C7	C8	0.0°	0.0°
C10	C6	C7	H7	165.1°	179.9°
C6	C10	C9	C8	0.1°	0.0°
C6	C10	C9	H10	165.4°	180.0°
C6	C10	C9	H9	165.1°	180.0°
H6	C6	C7	C8	165.4°	179.9°
H6	C6	C7	H7	0.3°	0.2°
H6	C6	C10	C9	165.4°	179.9°
H6	C6	C10	H10	0.0°	0.0°
C7	C8	C9	H8	165.1°	180.0°
C7	C8	C9	C10	0.1°	0.0°
C7	C8	C9	H9	165.1°	180.0°
H7	C7	C8	C9	165.1°	179.9°
H7	C7	C8	H8	0.1°	0.1°
C8	C9	C10	H9	165.0°	180.0°
C8	C9	C10	H10	165.4°	180.0°
H8	C8	C9	C10	165.0°	180.0°
H8	C8	C9	H9	0.0°	0.0°
H9	C9	C10	H10	0.3°	0.1°
C12	C11	H111	H112	119.6°	117.8°
C11	C12	N13	H121	120.0°	121.2°
C11	C12	N13	H122	120.0°	121.1°
C11	C12	H121	H122	120.1°	118.7°
C11	C12	N13	C14	100.4°	90.3°
C11	C12	N13	C17	79.1°	89.3°
H111	C11	C12	N13	51.1°	76.8°
H111	C11	C12	H121	171.1°	162.1°
H111	C11	C12	H122	68.8°	44.3°
H112	C11	C12	N13	68.6°	40.2°
H112	C11	C12	H121	51.4°	80.9°
H112	C11	C12	H122	171.4°	161.3°
N13	C12	H121	H122	120.1°	118.6°
C12	N13	C14	C17	179.6°	179.6°
C12	N13	C14	C15	176.0°	179.2°
C12	N13	C14	O18	2.7°	0.8°
C12	N13	C17	C16	174.6°	179.7°
C12	N13	C17	O19	5.3°	0.3°
H121	C12	N13	C14	19.6°	148.5°
H121	C12	N13	C17	160.9°	31.9°
H122	C12	N13	C14	139.6°	30.8°
H122	C12	N13	C17	40.8°	149.6°
N13	C14	C15	O18	178.7°	180.0°
N13	C14	C15	C16	11.3°	1.2°
N13	C14	C15	H151	130.2°	118.5°
N13	C14	C15	H152	107.6°	120.9°
C14	N13	C17	C16	5.0°	0.7°
C14	N13	C17	O19	175.1°	179.3°
C17	N13	C14	C15	4.4°	1.2°
C17	N13	C14	O18	176.9°	178.8°
N13	C17	C16	C15	11.6°	0.1°
N13	C17	C16	O19	179.9°	180.0°
N13	C17	C16	H161	107.4°	119.9°
N13	C17	C16	H162	130.6°	119.6°
C14	C15	C16	H151	118.9°	119.5°
C14	C15	C16	H152	118.9°	119.6°
C14	C15	H151	H152	123.2°	121.7°
C14	C15	C16	C17	13.2°	0.8°
C14	C15	C16	H161	105.8°	120.4°
C14	C15	C16	H162	132.2°	118.8°
O18	C14	C15	C16	170.0°	178.9°
O18	C14	C15	H151	51.1°	61.5°
O18	C14	C15	H152	71.1°	59.1°
C16	C15	H151	H152	123.2°	122.0°
C15	C16	C17	H161	119.0°	119.8°
C15	C16	C17	H162	119.0°	119.7°
C15	C16	H161	H162	122.9°	122.0°
C15	C16	C17	O19	168.5°	179.9°
H151	C15	C16	C17	132.0°	118.8°
H151	C15	C16	H161	13.0°	0.9°
H151	C15	C16	H162	109.0°	121.7°
H152	C15	C16	C17	105.7°	120.4°
H152	C15	C16	H161	135.3°	120.0°
H152	C15	C16	H162	13.3°	0.8°
C17	C16	H161	H162	123.0°	121.6°
H161	C16	C17	O19	72.5°	60.2°
H162	C16	C17	O19	49.5°	60.4°

Definition date:	2001-07-26
Last modified:	2026-07-31
Release status:	REL
Processing site:	EBI
Derived from:	1GJM