RZ0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | O2S | doub | 1.42Å | 1.43Å | |
N' | C7 | sing | 1.35Å | 1.28Å | |
N' | HN' | sing | 0.97Å | 1.00Å | |
O' | C7 | doub | 1.22Å | 1.23Å | |
C1 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C1 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
C2 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | S | sing | 1.76Å | 1.66Å | |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C1 | sing | 1.48Å | 1.51Å | |
C1' | N' | sing | 1.47Å | 1.38Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
O1S | S | doub | 1.42Å | 1.45Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
C2' | C3' | sing | 1.53Å | 1.56Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
C3' | C4' | sing | 1.53Å | 1.53Å | |
N3S | S | sing | 1.66Å | 1.56Å | |
N3S | HN3S | sing | 0.97Å | 1.00Å | |
N3S | HN3A | sing | 0.97Å | 1.00Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C4' | H4'A | sing | 1.09Å | 1.10Å | |
C4' | H14 | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C3' | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2S | S | C4 | 110.3° | 106.4° |
O2S | S | O1S | 115.7° | 123.2° |
O2S | S | N3S | 105.7° | 106.4° |
C7 | N' | HN' | 101.7° | 120.0° |
N' | C7 | O' | 103.6° | 120.0° |
N' | C7 | C1 | 131.2° | 120.0° |
C7 | N' | C1' | 156.7° | 120.0° |
HN' | N' | C1' | 101.7° | 119.9° |
O' | C7 | C1 | 124.1° | 120.0° |
C5 | C1 | C3 | 122.4° | 119.7° |
C1 | C5 | C6 | 119.3° | 119.9° |
C1 | C5 | H5 | 120.4° | 120.1° |
C5 | C1 | C7 | 117.3° | 120.1° |
C1 | C3 | C2 | 117.1° | 119.9° |
C1 | C3 | H3 | 121.5° | 120.0° |
C3 | C1 | C7 | 120.3° | 120.2° |
C4 | C2 | H2 | 119.1° | 119.9° |
C4 | C2 | C3 | 121.8° | 120.2° |
C2 | C4 | S | 120.6° | 119.9° |
C2 | C4 | C6 | 119.1° | 120.2° |
H2 | C2 | C3 | 119.1° | 120.0° |
C2 | C3 | H3 | 121.5° | 120.1° |
S | C4 | C6 | 120.1° | 119.9° |
C4 | S | O1S | 107.1° | 106.4° |
C4 | S | N3S | 108.8° | 107.2° |
C6 | C5 | H5 | 120.3° | 120.0° |
C5 | C6 | C4 | 120.2° | 120.1° |
C5 | C6 | H6 | 119.9° | 120.0° |
C4 | C6 | H6 | 119.9° | 119.9° |
N' | C1' | H1' | 114.8° | 109.4° |
N' | C1' | H1'A | 114.8° | 109.4° |
N' | C1' | C2' | 94.4° | 109.5° |
H1' | C1' | H1'A | 103.6° | 109.4° |
H1' | C1' | C2' | 114.9° | 109.5° |
H1'A | C1' | C2' | 114.8° | 109.5° |
O1S | S | N3S | 109.0° | 106.4° |
C1' | C2' | C3' | 112.5° | 109.5° |
C1' | C2' | H2' | 108.5° | 109.5° |
C1' | C2' | H2'A | 108.5° | 109.5° |
C3' | C2' | H2' | 108.5° | 109.4° |
C3' | C2' | H2'A | 108.5° | 109.4° |
C2' | C3' | C4' | 115.1° | 109.5° |
C2' | C3' | H3' | 107.6° | 109.5° |
C2' | C3' | H16 | 107.7° | 109.5° |
H2' | C2' | H2'A | 110.4° | 109.5° |
C3' | C4' | H4' | 109.5° | 109.5° |
C3' | C4' | H4'A | 109.4° | 109.5° |
C3' | C4' | H14 | 109.5° | 109.5° |
C4' | C3' | H3' | 107.6° | 109.4° |
C4' | C3' | H16 | 107.6° | 109.4° |
S | N3S | HN3S | 109.5° | 120.0° |
S | N3S | HN3A | 109.4° | 119.9° |
HN3S | N3S | HN3A | 109.5° | 120.1° |
H4' | C4' | H4'A | 109.5° | 109.5° |
H4' | C4' | H14 | 109.5° | 109.5° |
H4'A | C4' | H14 | 109.5° | 109.4° |
H3' | C3' | H16 | 111.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2S | S | C4 | C2 | 61.5° | 23.6° |
O2S | S | C4 | O1S | 126.7° | 132.9° |
O2S | S | C4 | N3S | 115.6° | 113.5° |
O2S | S | C4 | C6 | 113.4° | 156.5° |
O2S | S | O1S | N3S | 118.9° | 122.9° |
O2S | S | N3S | HN3S | 180.0° | 113.6° |
O2S | S | N3S | HN3A | 60.0° | 66.5° |
C7 | N' | HN' | C1' | 180.0° | 179.9° |
N' | C7 | O' | C1 | 169.5° | 180.0° |
N' | C7 | C1 | C5 | 166.4° | 180.0° |
N' | C7 | C1 | C3 | 13.6° | 0.3° |
C7 | N' | C1' | H1' | 11.4° | 60.0° |
C7 | N' | C1' | H1'A | 108.5° | 59.9° |
C7 | N' | C1' | C2' | 131.5° | 180.0° |
HN' | N' | C7 | O' | 20.6° | 180.0° |
HN' | N' | C7 | C1 | 147.8° | 0.1° |
HN' | N' | C1' | H1' | 168.6° | 120.1° |
HN' | N' | C1' | H1'A | 71.5° | 120.0° |
HN' | N' | C1' | C2' | 48.5° | 0.0° |
O' | C7 | C1 | C5 | 0.1° | 0.0° |
O' | C7 | C1 | C3 | 179.9° | 179.8° |
O' | C7 | N' | C1' | 159.4° | 0.1° |
C5 | C1 | C3 | C7 | 180.0° | 179.7° |
C5 | C1 | C3 | C2 | 0.9° | 0.1° |
C5 | C1 | C3 | H3 | 179.1° | 180.0° |
C1 | C5 | C6 | H5 | 180.0° | 180.0° |
C1 | C5 | C6 | C4 | 0.5° | 0.0° |
C1 | C5 | C6 | H6 | 179.5° | 179.9° |
C1 | C3 | C2 | C4 | 4.5° | 0.1° |
C1 | C3 | C2 | H2 | 175.5° | 180.0° |
C1 | C3 | C2 | H3 | 180.0° | 179.9° |
C3 | C1 | C5 | C6 | 1.6° | 0.0° |
C3 | C1 | C5 | H5 | 178.4° | 180.0° |
C4 | C2 | H2 | C3 | 180.0° | 179.9° |
C4 | C2 | C3 | H3 | 175.4° | 180.0° |
C2 | C4 | S | C6 | 174.9° | 180.0° |
C2 | C4 | C6 | C5 | 3.0° | 0.0° |
C2 | C4 | C6 | H6 | 177.0° | 180.0° |
C2 | C4 | S | O1S | 171.7° | 156.5° |
C2 | C4 | S | N3S | 54.0° | 90.0° |
H2 | C2 | C3 | H3 | 4.5° | 0.1° |
H2 | C2 | C4 | S | 0.6° | 0.0° |
H2 | C2 | C4 | C6 | 174.4° | 180.0° |
C3 | C2 | C4 | S | 179.4° | 179.9° |
C3 | C2 | C4 | C6 | 5.6° | 0.1° |
C2 | C3 | C1 | C7 | 179.1° | 179.7° |
H3 | C3 | C1 | C7 | 0.9° | 0.2° |
S | C4 | C6 | C5 | 178.0° | 180.0° |
S | C4 | C6 | H6 | 2.0° | 0.1° |
C4 | S | O1S | N3S | 117.6° | 114.1° |
C4 | S | N3S | HN3S | 61.5° | 0.0° |
C4 | S | N3S | HN3A | 58.5° | 180.0° |
C5 | C6 | C4 | H6 | 180.0° | 180.0° |
C6 | C5 | C1 | C7 | 178.4° | 179.7° |
H5 | C5 | C6 | C4 | 179.5° | 180.0° |
H5 | C5 | C6 | H6 | 0.5° | 0.0° |
H5 | C5 | C1 | C7 | 1.6° | 0.3° |
C6 | C4 | S | O1S | 13.3° | 23.5° |
C6 | C4 | S | N3S | 131.0° | 90.0° |
C1 | C7 | N' | C1' | 32.2° | 180.0° |
N' | C1' | H1' | H1'A | 126.0° | 119.9° |
N' | C1' | H1' | C2' | 107.9° | 120.0° |
N' | C1' | H1'A | C2' | 107.9° | 120.0° |
N' | C1' | C2' | C3' | 66.8° | 180.0° |
N' | C1' | C2' | H2' | 173.2° | 60.0° |
N' | C1' | C2' | H2'A | 53.2° | 60.0° |
H1' | C1' | H1'A | C2' | 126.0° | 120.1° |
H1' | C1' | C2' | C3' | 53.2° | 60.0° |
H1' | C1' | C2' | H2' | 66.8° | 180.0° |
H1' | C1' | C2' | H2'A | 173.2° | 60.0° |
H1'A | C1' | C2' | C3' | 173.2° | 60.0° |
H1'A | C1' | C2' | H2' | 53.2° | 60.0° |
H1'A | C1' | C2' | H2'A | 66.8° | 180.0° |
O1S | S | N3S | HN3S | 55.0° | 113.5° |
O1S | S | N3S | HN3A | 175.0° | 66.5° |
C1' | C2' | C3' | H2' | 120.0° | 120.0° |
C1' | C2' | C3' | H2'A | 120.0° | 120.0° |
C1' | C2' | H2' | H2'A | 118.8° | 120.0° |
C1' | C2' | C3' | C4' | 149.7° | 180.0° |
C1' | C2' | C3' | H3' | 90.3° | 60.0° |
C1' | C2' | C3' | H16 | 29.7° | 60.0° |
C3' | C2' | H2' | H2'A | 118.8° | 120.0° |
C2' | C3' | C4' | H3' | 120.0° | 120.0° |
C2' | C3' | C4' | H16 | 120.0° | 120.0° |
C2' | C3' | C4' | H4' | 180.0° | 180.0° |
C2' | C3' | C4' | H4'A | 60.0° | 60.0° |
C2' | C3' | C4' | H14 | 60.0° | 59.9° |
C2' | C3' | H3' | H16 | 117.7° | 120.0° |
H2' | C2' | C3' | C4' | 29.6° | 60.0° |
H2' | C2' | C3' | H3' | 149.6° | 180.0° |
H2' | C2' | C3' | H16 | 90.4° | 60.0° |
H2'A | C2' | C3' | C4' | 90.4° | 60.0° |
H2'A | C2' | C3' | H3' | 29.6° | 60.0° |
H2'A | C2' | C3' | H16 | 149.6° | 180.0° |
C3' | C4' | H4' | H4'A | 120.0° | 120.0° |
C3' | C4' | H4' | H14 | 120.0° | 120.0° |
C3' | C4' | H4'A | H14 | 120.0° | 119.9° |
C4' | C3' | H3' | H16 | 117.7° | 119.9° |
S | N3S | HN3S | HN3A | 120.0° | 180.0° |
H4' | C4' | H4'A | H14 | 120.0° | 120.0° |
H4' | C4' | C3' | H3' | 60.0° | 59.9° |
H4' | C4' | C3' | H16 | 60.0° | 60.0° |
H4'A | C4' | C3' | H3' | 180.0° | 180.0° |
H4'A | C4' | C3' | H16 | 60.0° | 60.1° |
H14 | C4' | C3' | H3' | 60.0° | 60.1° |
H14 | C4' | C3' | H16 | 180.0° | 180.0° |