26E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.44Å	1.44Å
S1	O1	doub	1.51Å	1.51Å
S1	N2	sing	1.66Å	1.66Å
S1	N1	sing	1.71Å	1.71Å
N1	C3	sing	1.48Å	1.48Å
C3	C7	sing	1.52Å	1.52Å
C7	B11	sing	1.63Å	1.63Å
C7	B2	sing	1.74Å	1.74Å
C7	C8	sing	1.55Å	1.55Å
B11	B6	sing	1.75Å	1.75Å
B6	B2	sing	1.75Å	1.75Å
B6	B10	sing	1.79Å	1.79Å
B1	B2	sing	1.79Å	1.79Å
B1	B3	sing	1.77Å	1.77Å
B1	B4	sing	1.76Å	1.76Å
B2	B3	sing	1.77Å	1.77Å
B3	B4	sing	1.74Å	1.74Å
B3	C8	sing	1.68Å	1.68Å
B5	B4	sing	1.78Å	1.78Å
B9	C8	sing	1.64Å	1.64Å
B4	C8	sing	1.70Å	1.70Å
N2	H1	sing	1.00Å	1.00Å
N2	H2	sing	1.00Å	1.00Å
N1	H3	sing	1.00Å	1.00Å
C3	H4	sing	1.10Å	1.10Å
C3	H5	sing	1.10Å	1.10Å
B5	B1	sing	1.82Å	1.82Å
B5	B6	sing	1.83Å	1.83Å
B5	B9	sing	1.80Å	1.80Å
B5	B10	sing	1.80Å	1.80Å
B6	B1	sing	1.80Å	1.80Å
B10	B9	sing	1.86Å	1.86Å
B10	B11	sing	1.83Å	1.83Å
C7	B3	sing	1.79Å	1.79Å
B4	B9	sing	1.84Å	1.84Å
B2	B11	sing	1.80Å	1.80Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	O1	112.4°	112.4°
O2	S1	N2	109.9°	109.9°
O2	S1	N1	107.1°	107.1°
O1	S1	N2	112.3°	112.3°
O1	S1	N1	109.6°	109.6°
N2	S1	N1	105.2°	105.2°
S1	N2	H1	109.5°	109.5°
S1	N2	H2	109.5°	109.5°
S1	N1	C3	118.9°	118.9°
S1	N1	H3	107.1°	107.1°
N1	C3	C7	109.8°	109.8°
C3	N1	H3	107.0°	107.0°
N1	C3	H4	109.4°	109.4°
N1	C3	H5	109.4°	109.4°
C3	C7	B11	120.7°	120.7°
C3	C7	B2	113.5°	113.5°
C3	C7	C8	117.8°	117.8°
C7	C3	H4	109.4°	109.4°
C7	C3	H5	109.4°	109.4°
C3	C7	B3	109.2°	109.2°
B11	C7	B2	64.5°	64.5°
B11	C7	C8	117.3°	117.3°
C7	B11	B6	104.3°	104.3°
C7	B11	B10	104.4°	104.4°
B11	C7	B3	115.9°	115.9°
C7	B11	B2	60.9°	60.9°
B2	C7	C8	109.9°	109.9°
C7	B2	B6	99.5°	99.5°
C7	B2	B1	104.0°	104.0°
C7	B2	B3	61.2°	61.2°
B2	C7	B3	60.1°	60.1°
C7	B2	B11	54.6°	54.6°
C7	C8	B3	66.8°	66.8°
C7	C8	B9	109.4°	109.4°
C7	C8	B4	114.3°	114.3°
C8	C7	B3	60.1°	60.1°
B11	B6	B2	61.9°	61.9°
B11	B6	B10	62.3°	62.3°
B11	B6	B5	108.0°	108.0°
B11	B6	B1	110.3°	110.3°
B6	B11	B10	59.9°	59.9°
B6	B11	B2	59.1°	59.1°
B2	B6	B10	112.9°	112.9°
B6	B2	B1	61.2°	61.2°
B6	B2	B3	108.3°	108.3°
B2	B6	B5	108.0°	108.0°
B2	B6	B1	60.4°	60.4°
B6	B2	B11	59.0°	59.0°
B10	B6	B5	59.8°	59.8°
B6	B10	B5	61.2°	61.2°
B10	B6	B1	111.0°	111.0°
B6	B10	B9	104.6°	104.6°
B6	B10	B11	57.8°	57.8°
B2	B1	B3	59.5°	59.5°
B2	B1	B4	107.1°	107.1°
B1	B2	B3	59.9°	59.9°
B2	B1	B5	107.0°	107.0°
B2	B1	B6	58.4°	58.4°
B1	B2	B11	108.7°	108.7°
B3	B1	B4	59.1°	59.1°
B1	B3	B2	60.6°	60.6°
B1	B3	B4	60.1°	60.1°
B1	B3	C8	104.2°	104.2°
B3	B1	B5	106.3°	106.3°
B3	B1	B6	105.8°	105.8°
B1	B3	C7	102.8°	102.8°
B1	B4	B3	60.8°	60.8°
B1	B4	B5	61.6°	61.6°
B1	B4	C8	104.0°	104.0°
B4	B1	B5	59.8°	59.8°
B4	B1	B6	107.9°	107.9°
B1	B4	B9	108.2°	108.2°
B2	B3	B4	108.8°	108.8°
B2	B3	C8	103.0°	103.0°
B2	B3	C7	58.8°	58.8°
B3	B2	B11	108.4°	108.4°
B4	B3	C8	59.5°	59.5°
B3	B4	B5	109.1°	109.1°
B3	B4	C8	58.5°	58.5°
B4	B3	C7	101.7°	101.7°
B3	B4	B9	105.7°	105.7°
B3	C8	B9	118.6°	118.6°
B3	C8	B4	62.0°	62.0°
C8	B3	C7	53.1°	53.1°
B5	B4	C8	101.5°	101.5°
B4	B5	B1	58.5°	58.5°
B4	B5	B6	105.7°	105.7°
B4	B5	B9	61.7°	61.7°
B4	B5	B10	112.8°	112.8°
B5	B4	B9	59.6°	59.6°
B9	C8	B4	66.8°	66.8°
C8	B9	B5	103.3°	103.3°
C8	B9	B10	107.2°	107.2°
C8	B9	B4	58.3°	58.3°
C8	B4	B9	54.9°	54.9°
H1	N2	H2	109.4°	109.4°
H4	C3	H5	109.4°	109.5°
B1	B5	B6	59.2°	59.2°
B1	B5	B9	107.5°	107.5°
B1	B5	B10	109.7°	109.7°
B5	B1	B6	60.7°	60.7°
B6	B5	B9	105.5°	105.5°
B6	B5	B10	59.0°	59.0°
B5	B6	B1	60.1°	60.1°
B9	B5	B10	62.3°	62.3°
B5	B9	B10	58.9°	58.9°
B5	B9	B4	58.7°	58.7°
B5	B10	B9	58.8°	58.8°
B5	B10	B11	105.6°	105.6°
B9	B10	B11	101.1°	101.1°
B10	B9	B4	107.5°	107.5°
B10	B11	B2	108.7°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	O1	N2	124.5°	124.5°
O2	S1	O1	N1	119.0°	119.0°
O2	S1	N2	N1	115.0°	115.0°
O2	S1	N1	C3	56.7°	56.7°
O2	S1	N2	H1	180.0°	180.0°
O2	S1	N2	H2	60.0°	60.0°
O2	S1	N1	H3	178.0°	178.0°
O1	S1	N2	N1	119.1°	119.1°
O1	S1	N1	C3	65.6°	65.6°
O1	S1	N2	H1	54.1°	54.1°
O1	S1	N2	H2	65.9°	65.9°
O1	S1	N1	H3	55.8°	55.8°
N2	S1	N1	C3	173.5°	173.5°
S1	N2	H1	H2	120.0°	120.0°
N2	S1	N1	H3	65.1°	65.1°
S1	N1	C3	H3	121.3°	121.3°
S1	N1	C3	C7	176.9°	176.9°
N1	S1	N2	H1	65.1°	65.1°
N1	S1	N2	H2	175.0°	175.0°
S1	N1	C3	H4	56.8°	56.9°
S1	N1	C3	H5	63.0°	63.0°
N1	C3	C7	H4	120.1°	120.1°
N1	C3	C7	H5	120.1°	120.1°
N1	C3	C7	B11	61.1°	61.1°
N1	C3	C7	B2	134.4°	134.4°
N1	C3	C7	C8	95.2°	95.2°
N1	C3	H4	H5	119.8°	119.9°
N1	C3	C7	B3	160.8°	160.8°
C3	C7	B11	B2	103.4°	103.4°
C3	C7	B11	C8	156.4°	156.4°
C3	C7	B11	B3	135.5°	135.5°
C3	C7	B2	C8	134.3°	134.3°
C3	C7	B2	B3	99.4°	99.4°
C3	C7	C8	B3	97.3°	97.3°
C3	C7	B11	B6	145.0°	145.0°
C3	C7	B2	B6	154.8°	154.8°
C3	C7	B2	B1	142.7°	142.7°
C3	C7	B3	B1	150.1°	150.1°
C3	C7	B3	B4	148.2°	148.2°
C3	C7	C8	B9	149.2°	149.2°
C3	C7	C8	B4	138.3°	138.3°
C7	C3	N1	H3	61.8°	61.8°
C7	C3	H4	H5	119.8°	119.8°
C3	C7	B11	B10	153.0°	153.0°
B11	C7	B2	C8	111.6°	111.6°
B11	C7	B2	B3	146.5°	146.5°
B11	C7	C8	B3	105.7°	105.7°
C7	B11	B6	B10	98.5°	98.5°
C7	B11	B6	B2	42.5°	42.5°
C7	B11	B2	B1	94.2°	94.2°
B11	C7	B3	B1	9.8°	9.8°
B11	C7	B3	B4	71.4°	71.4°
B11	C7	C8	B9	7.9°	7.9°
B11	C7	C8	B4	64.7°	64.7°
B11	C7	C3	H4	59.0°	58.9°
B11	C7	C3	H5	178.8°	178.8°
C7	B11	B6	B5	58.7°	58.7°
C7	B11	B10	B5	58.5°	58.5°
C7	B11	B6	B1	5.2°	5.2°
C7	B11	B10	B9	1.9°	1.9°
C7	B11	B10	B2	63.7°	63.7°
B2	C7	C8	B3	34.9°	34.9°
C7	B2	B6	B1	100.9°	100.9°
C7	B2	B6	B3	62.6°	62.6°
C7	B2	B6	B10	1.1°	1.1°
C7	B2	B1	B3	44.0°	44.0°
C7	B2	B1	B4	7.6°	7.6°
B2	C7	B3	B4	105.1°	105.1°
B2	C7	C8	B9	78.7°	78.7°
B2	C7	C8	B4	6.1°	6.1°
B2	C7	C3	H4	14.3°	14.3°
B2	C7	C3	H5	105.6°	105.6°
C7	B2	B1	B5	55.3°	55.3°
C7	B2	B6	B5	63.0°	63.0°
C8	C7	B11	B6	58.7°	58.7°
C8	C7	B2	B6	70.9°	70.9°
C8	C7	B2	B1	8.4°	8.4°
C7	C8	B3	B1	95.6°	95.6°
C7	C8	B4	B1	1.0°	1.0°
C8	C7	B3	B4	36.6°	36.6°
C7	C8	B3	B9	100.2°	100.2°
C7	C8	B4	B5	62.4°	62.4°
C7	C8	B9	B4	108.9°	108.9°
C8	C7	C3	H4	144.8°	144.8°
C8	C7	C3	H5	24.9°	24.9°
C7	C8	B9	B5	69.7°	69.7°
C7	C8	B9	B10	8.5°	8.5°
C8	C7	B11	B10	3.4°	3.4°
B11	B6	B2	B10	37.2°	37.2°
B11	B6	B2	B5	101.2°	101.2°
B11	B6	B2	B1	139.2°	139.2°
B11	B6	B10	B5	135.2°	135.2°
B11	B6	B10	B1	102.6°	102.6°
B11	B6	B1	B3	0.5°	0.5°
B11	B6	B1	B4	61.5°	61.5°
B6	B11	B2	B3	100.8°	100.8°
B11	B6	B5	B4	66.5°	66.5°
B11	B6	B1	B5	99.6°	99.6°
B11	B6	B5	B9	2.1°	2.1°
B6	B11	B10	B9	100.4°	100.4°
B6	B11	C7	B3	9.5°	9.5°
B2	B6	B10	B5	98.2°	98.2°
B2	B6	B10	B1	65.6°	65.6°
B6	B2	B1	B3	137.2°	137.2°
B2	B6	B1	B4	99.5°	99.5°
B6	B2	B3	B4	1.6°	1.6°
B6	B2	B3	C8	60.3°	60.3°
B2	B6	B5	B4	1.0°	1.0°
B2	B6	B5	B1	38.1°	38.1°
B2	B6	B5	B9	63.3°	63.3°
B2	B6	B10	B9	57.1°	57.1°
B10	B6	B1	B3	67.7°	67.7°
B10	B6	B1	B4	5.6°	5.6°
B10	B6	B2	B3	63.7°	63.7°
B10	B6	B5	B4	107.5°	107.5°
B6	B10	B9	C8	53.1°	53.1°
B10	B6	B5	B1	144.5°	144.5°
B10	B6	B5	B9	43.1°	43.1°
B6	B10	B9	B4	8.3°	8.3°
B2	B1	B3	B4	138.7°	138.7°
B2	B1	B3	B5	100.4°	100.4°
B2	B1	B4	B5	100.1°	100.1°
B1	B2	B3	B11	101.4°	101.4°
B2	B1	B3	C8	97.2°	97.2°
B2	B1	B4	C8	4.4°	4.4°
B2	B1	B5	B9	61.1°	61.1°
B2	B1	B5	B10	5.0°	5.0°
B1	B2	B11	B10	2.2°	2.2°
B2	B1	B4	B9	61.6°	61.6°
B3	B1	B4	B5	136.6°	136.6°
B3	B1	B4	B6	98.1°	98.1°
B1	B3	B4	C8	131.8°	131.8°
B1	B3	B4	C7	98.2°	98.2°
B1	B3	C8	B9	4.7°	4.7°
B3	B1	B5	B6	99.3°	99.3°
B3	B1	B5	B9	1.3°	1.3°
B3	B1	B5	B10	67.4°	67.4°
B3	B1	B4	B9	98.2°	98.2°
B1	B4	B5	C8	99.8°	99.8°
B1	B4	B5	B9	136.8°	136.8°
B1	B4	C8	B9	102.7°	102.7°
B4	B1	B5	B6	137.2°	137.2°
B4	B1	B5	B10	105.3°	105.3°
B1	B4	B9	B10	5.2°	5.2°
B4	B1	B2	B11	64.5°	64.5°
B2	B3	B4	C8	94.3°	94.3°
B2	B3	B4	B5	2.3°	2.3°
B2	B3	C8	B9	67.2°	67.2°
B3	B2	B6	B5	0.3°	0.3°
B3	B2	B11	B10	65.7°	65.7°
B2	B3	B4	B9	65.0°	65.0°
B3	B4	B5	C8	60.4°	60.4°
B3	B4	B5	B9	97.4°	97.4°
B3	B4	C8	B9	144.8°	144.8°
B3	B4	B5	B6	2.0°	2.0°
B3	B4	B5	B10	60.5°	60.5°
B3	B4	B9	B10	69.0°	69.0°
B4	B3	B2	B11	64.2°	64.2°
C8	B3	B1	B5	3.2°	3.2°
B3	C8	B9	B5	3.8°	3.8°
C8	B3	B1	B6	60.2°	60.2°
B3	C8	B9	B10	64.9°	64.9°
C8	B3	B2	B11	2.3°	2.3°
B4	B5	B9	C8	39.0°	39.0°
B4	B5	B6	B9	64.3°	64.3°
B4	B5	B9	B10	141.2°	141.2°
B4	B5	B10	B11	56.9°	56.9°
B5	B4	B3	C7	58.4°	58.4°
C8	B9	B5	B1	1.3°	1.3°
C8	B9	B5	B6	60.7°	60.7°
C8	B9	B5	B10	102.2°	102.2°
C8	B9	B10	B4	61.3°	61.3°
C8	B9	B10	B11	6.2°	6.2°
C8	B4	B5	B6	62.5°	62.5°
C8	B4	B5	B10	0.0°	0.0°
C8	B4	B1	B6	57.1°	57.1°
H3	N1	C3	H4	178.2°	178.2°
H3	N1	C3	H5	58.3°	58.3°
H4	C3	C7	B3	79.1°	79.2°
H5	C3	C7	B3	40.7°	40.7°
B1	B5	B6	B9	101.4°	101.4°
B1	B5	B9	B10	103.5°	103.5°
B1	B5	B10	B11	6.3°	6.3°
B5	B1	B3	C7	58.0°	58.0°
B5	B1	B2	B11	1.7°	1.7°
B9	B5	B10	B11	93.7°	93.7°
B5	B10	B11	B2	5.2°	5.2°
B1	B6	B10	B9	8.6°	8.6°
B6	B1	B3	C7	5.5°	5.5°
B6	B1	B4	B9	0.1°	0.1°
B9	B10	B11	B2	65.7°	65.7°
B10	B11	C7	B3	71.5°	71.5°
B11	B10	B9	B4	67.6°	67.6°
C7	B3	B4	B9	4.3°	4.3°

Release date:	2014-01-01
Definition date:	2013-08-30
Last modified:	2013-12-27
Release status:	REL
Processing site:	RCSB
Derived from:	4MDM