RYZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | S | sing | 1.76Å | 1.67Å | |
N3S | S | sing | 1.66Å | 1.61Å | |
O1S | S | doub | 1.42Å | 1.47Å | |
S | O2S | doub | 1.42Å | 1.43Å | |
C1' | N' | sing | 1.47Å | 1.48Å | |
N' | C7 | sing | 1.35Å | 1.33Å | |
N' | HN' | sing | 0.97Å | 1.00Å | |
O' | C7 | doub | 1.22Å | 1.25Å | |
C7 | C1 | sing | 1.48Å | 1.48Å | |
C1 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
C1 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.44Å | Aromatic |
C2 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C6 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2' | F2'1 | sing | 1.40Å | 1.33Å | |
F3'1 | C3' | sing | 1.40Å | 1.34Å | |
F4'1 | C4' | sing | 1.40Å | 1.30Å | |
C2' | F2'2 | sing | 1.40Å | 1.30Å | |
F3'2 | C3' | sing | 1.40Å | 1.31Å | |
C4' | F4'2 | sing | 1.40Å | 1.31Å | |
C4' | F4'3 | sing | 1.40Å | 1.33Å | |
C1' | C2' | sing | 1.53Å | 1.56Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
C3' | C2' | sing | 1.53Å | 1.49Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
N3S | HN3S | sing | 0.97Å | 1.00Å | |
N3S | HN3A | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | S | N3S | 106.7° | 107.2° |
C4 | S | O1S | 105.6° | 106.4° |
C4 | S | O2S | 108.7° | 106.4° |
S | C4 | C2 | 117.9° | 119.8° |
S | C4 | C6 | 124.1° | 119.8° |
N3S | S | O1S | 110.3° | 106.4° |
N3S | S | O2S | 109.8° | 106.4° |
S | N3S | HN3S | 109.5° | 120.0° |
S | N3S | HN3A | 109.4° | 120.0° |
O1S | S | O2S | 115.3° | 123.2° |
C1' | N' | C7 | 122.6° | 120.0° |
C1' | N' | HN' | 118.7° | 120.0° |
N' | C1' | C2' | 109.6° | 109.5° |
N' | C1' | H1' | 109.4° | 109.5° |
N' | C1' | H1'A | 109.4° | 109.5° |
C7 | N' | HN' | 118.7° | 120.0° |
N' | C7 | O' | 121.7° | 120.1° |
N' | C7 | C1 | 120.5° | 120.0° |
O' | C7 | C1 | 117.8° | 120.0° |
C7 | C1 | C5 | 118.5° | 120.1° |
C7 | C1 | C3 | 121.8° | 120.2° |
C5 | C1 | C3 | 119.7° | 119.7° |
C1 | C5 | C6 | 120.4° | 119.9° |
C1 | C5 | H5 | 119.8° | 120.1° |
C1 | C3 | C2 | 120.9° | 119.9° |
C1 | C3 | H3 | 119.5° | 120.0° |
C3 | C2 | C4 | 120.5° | 120.1° |
C3 | C2 | H2 | 119.8° | 120.0° |
C2 | C3 | H3 | 119.6° | 120.0° |
C4 | C2 | H2 | 119.8° | 119.9° |
C2 | C4 | C6 | 117.9° | 120.3° |
C4 | C6 | C5 | 120.6° | 120.1° |
C4 | C6 | H6 | 119.7° | 120.0° |
C6 | C5 | H5 | 119.8° | 120.0° |
C5 | C6 | H6 | 119.7° | 119.9° |
F2'1 | C2' | F2'2 | 96.0° | 109.5° |
F2'1 | C2' | C1' | 113.1° | 109.5° |
F2'1 | C2' | C3' | 117.0° | 109.5° |
F3'1 | C3' | F3'2 | 108.6° | 109.5° |
F3'1 | C3' | C2' | 110.1° | 109.5° |
F3'1 | C3' | C4' | 106.3° | 109.4° |
F4'1 | C4' | F4'2 | 115.0° | 109.5° |
F4'1 | C4' | F4'3 | 113.4° | 109.4° |
F4'1 | C4' | C3' | 102.6° | 109.4° |
F2'2 | C2' | C1' | 112.5° | 109.5° |
F2'2 | C2' | C3' | 108.4° | 109.5° |
F3'2 | C3' | C2' | 104.0° | 109.5° |
F3'2 | C3' | C4' | 115.8° | 109.5° |
F4'2 | C4' | F4'3 | 102.9° | 109.5° |
F4'2 | C4' | C3' | 113.8° | 109.5° |
F4'3 | C4' | C3' | 109.4° | 109.4° |
C2' | C1' | H1' | 109.4° | 109.5° |
C2' | C1' | H1'A | 109.4° | 109.4° |
C1' | C2' | C3' | 109.1° | 109.5° |
H1' | C1' | H1'A | 109.5° | 109.5° |
C2' | C3' | C4' | 112.0° | 109.5° |
HN3S | N3S | HN3A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | S | N3S | O1S | 114.2° | 113.5° |
C4 | S | N3S | O2S | 117.6° | 113.5° |
C4 | S | O1S | O2S | 120.1° | 122.9° |
S | C4 | C2 | C3 | 180.0° | 180.0° |
S | C4 | C2 | C6 | 176.5° | 180.0° |
S | C4 | C2 | H2 | 0.1° | 0.0° |
S | C4 | C6 | C5 | 179.5° | 180.0° |
S | C4 | C6 | H6 | 0.5° | 0.0° |
C4 | S | N3S | HN3S | 180.0° | 0.0° |
C4 | S | N3S | HN3A | 60.0° | 180.0° |
N3S | S | O1S | O2S | 125.1° | 123.0° |
N3S | S | C4 | C2 | 54.1° | 90.0° |
N3S | S | C4 | C6 | 129.6° | 90.0° |
S | N3S | HN3S | HN3A | 120.0° | 179.9° |
O1S | S | C4 | C2 | 171.5° | 156.5° |
O1S | S | C4 | C6 | 12.2° | 23.5° |
O1S | S | N3S | HN3S | 65.8° | 113.5° |
O1S | S | N3S | HN3A | 54.2° | 66.5° |
O2S | S | C4 | C2 | 64.2° | 23.5° |
O2S | S | C4 | C6 | 112.1° | 156.5° |
O2S | S | N3S | HN3S | 62.4° | 113.5° |
O2S | S | N3S | HN3A | 177.6° | 66.4° |
C1' | N' | C7 | HN' | 180.0° | 179.9° |
C1' | N' | C7 | O' | 1.3° | 0.1° |
C1' | N' | C7 | C1 | 179.6° | 180.0° |
N' | C1' | C2' | F2'1 | 51.1° | 60.0° |
N' | C1' | C2' | F2'2 | 56.4° | 60.0° |
N' | C1' | C2' | H1' | 120.0° | 120.0° |
N' | C1' | C2' | H1'A | 120.0° | 120.0° |
N' | C1' | H1' | H1'A | 119.9° | 120.0° |
N' | C1' | C2' | C3' | 176.8° | 180.0° |
N' | C7 | O' | C1 | 179.1° | 180.0° |
N' | C7 | C1 | C5 | 175.1° | 179.9° |
N' | C7 | C1 | C3 | 3.1° | 0.3° |
C7 | N' | C1' | C2' | 89.8° | 180.0° |
C7 | N' | C1' | H1' | 150.2° | 60.0° |
C7 | N' | C1' | H1'A | 30.3° | 60.0° |
HN' | N' | C7 | O' | 178.7° | 180.0° |
HN' | N' | C7 | C1 | 0.4° | 0.1° |
HN' | N' | C1' | C2' | 90.2° | 0.0° |
HN' | N' | C1' | H1' | 29.8° | 120.0° |
HN' | N' | C1' | H1'A | 149.7° | 120.0° |
O' | C7 | C1 | C5 | 5.8° | 0.0° |
O' | C7 | C1 | C3 | 176.0° | 179.8° |
C7 | C1 | C5 | C3 | 178.2° | 179.8° |
C7 | C1 | C3 | C2 | 178.5° | 179.7° |
C7 | C1 | C3 | H3 | 1.5° | 0.3° |
C7 | C1 | C5 | C6 | 179.2° | 179.7° |
C7 | C1 | C5 | H5 | 0.8° | 0.2° |
C5 | C1 | C3 | C2 | 0.3° | 0.1° |
C5 | C1 | C3 | H3 | 179.7° | 180.0° |
C1 | C5 | C6 | C4 | 3.0° | 0.1° |
C1 | C5 | C6 | H5 | 180.0° | 179.9° |
C1 | C5 | C6 | H6 | 177.0° | 180.0° |
C1 | C3 | C2 | H3 | 180.0° | 180.0° |
C1 | C3 | C2 | C4 | 1.6° | 0.0° |
C1 | C3 | C2 | H2 | 178.3° | 180.0° |
C3 | C1 | C5 | C6 | 1.0° | 0.1° |
C3 | C1 | C5 | H5 | 179.0° | 180.0° |
C3 | C2 | C4 | H2 | 180.0° | 180.0° |
C3 | C2 | C4 | C6 | 3.5° | 0.0° |
C4 | C2 | C3 | H3 | 178.3° | 180.0° |
C2 | C4 | C6 | C5 | 4.2° | 0.0° |
C2 | C4 | C6 | H6 | 175.8° | 180.0° |
H2 | C2 | C3 | H3 | 1.7° | 0.0° |
H2 | C2 | C4 | C6 | 176.5° | 180.0° |
C4 | C6 | C5 | H6 | 180.0° | 179.9° |
C4 | C6 | C5 | H5 | 177.0° | 179.9° |
H5 | C5 | C6 | H6 | 3.0° | 0.1° |
F2'1 | C2' | C3' | F3'1 | 174.3° | 180.0° |
F2'1 | C2' | F2'2 | C1' | 118.1° | 120.0° |
F2'1 | C2' | F2'2 | C3' | 121.1° | 120.0° |
F2'1 | C2' | C3' | F3'2 | 69.5° | 60.0° |
F2'1 | C2' | C1' | C3' | 132.1° | 120.0° |
F2'1 | C2' | C1' | H1' | 68.9° | 180.0° |
F2'1 | C2' | C1' | H1'A | 171.1° | 60.0° |
F2'1 | C2' | C3' | C4' | 56.3° | 60.0° |
F3'1 | C3' | C4' | F4'1 | 76.1° | 60.0° |
F3'1 | C3' | C2' | F2'2 | 67.2° | 60.0° |
F3'1 | C3' | F3'2 | C2' | 117.2° | 120.0° |
F3'1 | C3' | F3'2 | C4' | 119.5° | 120.0° |
F3'1 | C3' | C4' | F4'2 | 159.1° | 60.0° |
F3'1 | C3' | C4' | F4'3 | 44.6° | 179.9° |
F3'1 | C3' | C2' | C1' | 55.7° | 60.0° |
F3'1 | C3' | C2' | C4' | 118.0° | 120.0° |
F4'1 | C4' | C3' | F3'2 | 44.7° | 60.0° |
F4'1 | C4' | F4'2 | F4'3 | 123.9° | 120.0° |
F4'1 | C4' | F4'2 | C3' | 117.9° | 120.0° |
F4'1 | C4' | F4'3 | C3' | 113.8° | 119.9° |
F4'1 | C4' | C3' | C2' | 163.7° | 180.0° |
F2'2 | C2' | C3' | F3'2 | 176.5° | 180.0° |
F2'2 | C2' | C1' | C3' | 120.4° | 120.0° |
F2'2 | C2' | C1' | H1' | 176.4° | 60.0° |
F2'2 | C2' | C1' | H1'A | 63.7° | 180.0° |
F2'2 | C2' | C3' | C4' | 50.8° | 60.0° |
F3'2 | C3' | C4' | F4'2 | 80.2° | 180.0° |
F3'2 | C3' | C4' | F4'3 | 165.4° | 60.0° |
F3'2 | C3' | C2' | C1' | 60.5° | 60.0° |
F3'2 | C3' | C2' | C4' | 125.7° | 120.0° |
F4'2 | C4' | F4'3 | C3' | 121.3° | 120.0° |
F4'2 | C4' | C3' | C2' | 38.8° | 60.0° |
F4'3 | C4' | C3' | C2' | 75.6° | 60.0° |
C2' | C1' | H1' | H1'A | 120.0° | 120.0° |
C1' | C2' | C3' | C4' | 173.7° | 180.0° |
H1' | C1' | C2' | C3' | 63.2° | 60.0° |
H1'A | C1' | C2' | C3' | 56.8° | 60.0° |