JFZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | N1' | sing | 1.22Å | 1.44Å | |
O2' | N1' | doub | 1.22Å | 1.42Å | |
N1' | C4' | sing | 1.48Å | 1.34Å | |
C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
C3' | C2' | sing | 1.38Å | 1.39Å | Aromatic |
C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
C2' | C1' | doub | 1.39Å | 1.40Å | Aromatic |
C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
C1' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
C1' | O1 | sing | 1.36Å | 1.38Å | |
O1 | C1 | sing | 1.43Å | 1.47Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.48Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C1 | O5 | sing | 1.43Å | 1.47Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
O2 | C2 | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.23Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
C2' | H10 | sing | 1.08Å | 1.08Å | |
C3' | H11 | sing | 1.08Å | 1.08Å | |
C5' | H12 | sing | 1.08Å | 1.08Å | |
C6' | H13 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | N1' | O2' | 119.5° | 120.0° |
O3' | N1' | C4' | 121.0° | 120.0° |
O2' | N1' | C4' | 119.5° | 120.0° |
N1' | C4' | C3' | 120.0° | 120.0° |
N1' | C4' | C5' | 119.8° | 119.9° |
C4' | C3' | C2' | 119.8° | 120.0° |
C3' | C4' | C5' | 120.2° | 120.1° |
C4' | C3' | H11 | 120.1° | 120.0° |
C3' | C2' | C1' | 120.2° | 120.0° |
C3' | C2' | H10 | 119.9° | 120.0° |
C2' | C3' | H11 | 120.1° | 120.0° |
C4' | C5' | C6' | 120.1° | 120.1° |
C4' | C5' | H12 | 120.0° | 120.0° |
C2' | C1' | C6' | 120.1° | 119.8° |
C2' | C1' | O1 | 117.6° | 120.1° |
C1' | C2' | H10 | 119.9° | 120.0° |
C5' | C6' | C1' | 119.7° | 119.9° |
C6' | C5' | H12 | 120.0° | 119.9° |
C5' | C6' | H13 | 120.2° | 120.1° |
C6' | C1' | O1 | 122.3° | 120.1° |
C1' | C6' | H13 | 120.2° | 120.0° |
C1' | O1 | C1 | 118.9° | 117.0° |
O1 | C1 | O5 | 113.9° | 109.5° |
O1 | C1 | C2 | 110.4° | 109.5° |
O1 | C1 | H1 | 108.2° | 109.5° |
C6 | C5 | O5 | 106.8° | 109.5° |
C6 | C5 | C4 | 113.5° | 109.5° |
C6 | C5 | H5 | 107.8° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.5° |
O5 | C5 | C4 | 112.4° | 109.4° |
C5 | O5 | C1 | 114.5° | 114.1° |
O5 | C5 | H5 | 108.5° | 109.5° |
C5 | C4 | C3 | 111.7° | 109.2° |
C5 | C4 | O4 | 109.8° | 109.5° |
C5 | C4 | H4 | 110.2° | 109.6° |
C4 | C5 | H5 | 107.7° | 109.5° |
O5 | C1 | C2 | 108.6° | 109.4° |
O5 | C1 | H1 | 108.2° | 109.5° |
C1 | C2 | O2 | 111.7° | 109.5° |
C1 | C2 | C3 | 110.8° | 109.2° |
C2 | C1 | H1 | 107.3° | 109.5° |
C1 | C2 | H2 | 106.9° | 109.5° |
C3 | C4 | O4 | 102.7° | 109.5° |
C4 | C3 | C2 | 118.3° | 109.0° |
C4 | C3 | O3 | 119.6° | 109.5° |
C3 | C4 | H4 | 110.5° | 109.6° |
C4 | C3 | H3 | 94.4° | 109.6° |
O4 | C4 | H4 | 111.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O2 | C2 | C3 | 111.6° | 109.5° |
O2 | C2 | H2 | 108.6° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 120.0° | 109.6° |
C3 | C2 | H2 | 106.9° | 109.5° |
C2 | C3 | H3 | 94.4° | 109.5° |
O3 | C3 | H3 | 95.6° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.4° |
H62 | C6 | H63 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | N1' | O2' | C4' | 179.1° | 180.0° |
O3' | N1' | C4' | C3' | 29.9° | 180.0° |
O3' | N1' | C4' | C5' | 150.1° | 0.0° |
O2' | N1' | C4' | C3' | 150.9° | 0.0° |
O2' | N1' | C4' | C5' | 29.0° | 180.0° |
N1' | C4' | C3' | C5' | 180.0° | 180.0° |
N1' | C4' | C3' | C2' | 179.9° | 180.0° |
N1' | C4' | C5' | C6' | 179.8° | 180.0° |
N1' | C4' | C3' | H11 | 0.1° | 0.0° |
N1' | C4' | C5' | H12 | 0.1° | 0.0° |
C4' | C3' | C2' | H11 | 180.0° | 180.0° |
C4' | C3' | C2' | C1' | 0.3° | 0.0° |
C3' | C4' | C5' | C6' | 0.2° | 0.0° |
C4' | C3' | C2' | H10 | 179.7° | 180.0° |
C3' | C4' | C5' | H12 | 179.8° | 180.0° |
C2' | C3' | C4' | C5' | 0.1° | 0.0° |
C3' | C2' | C1' | H10 | 180.0° | 180.0° |
C3' | C2' | C1' | C6' | 0.8° | 0.0° |
C3' | C2' | C1' | O1 | 179.6° | 179.7° |
C4' | C5' | C6' | H12 | 180.0° | 180.0° |
C4' | C5' | C6' | C1' | 0.2° | 0.0° |
C5' | C4' | C3' | H11 | 179.8° | 180.0° |
C4' | C5' | C6' | H13 | 179.8° | 179.7° |
C2' | C1' | C6' | C5' | 0.7° | 0.0° |
C2' | C1' | C6' | O1 | 178.8° | 179.7° |
C2' | C1' | O1 | C1 | 154.1° | 0.3° |
C1' | C2' | C3' | H11 | 179.7° | 180.0° |
C2' | C1' | C6' | H13 | 179.3° | 179.7° |
C5' | C6' | C1' | H13 | 180.0° | 179.8° |
C5' | C6' | C1' | O1 | 179.4° | 179.7° |
C6' | C1' | O1 | C1 | 27.1° | 180.0° |
C6' | C1' | C2' | H10 | 179.2° | 180.0° |
C1' | C6' | C5' | H12 | 179.8° | 180.0° |
C1' | O1 | C1 | O5 | 67.8° | 65.0° |
C1' | O1 | C1 | C2 | 169.7° | 175.1° |
C1' | O1 | C1 | H1 | 52.6° | 55.0° |
O1 | C1' | C2' | H10 | 0.4° | 0.3° |
O1 | C1' | C6' | H13 | 0.5° | 0.0° |
O1 | C1 | O5 | C5 | 59.7° | 58.8° |
O1 | C1 | O5 | C2 | 123.5° | 120.0° |
O1 | C1 | O5 | H1 | 120.3° | 120.1° |
O1 | C1 | C2 | H1 | 117.7° | 120.1° |
O1 | C1 | C2 | O2 | 52.9° | 57.5° |
O1 | C1 | C2 | C3 | 72.2° | 62.3° |
O1 | C1 | C2 | H2 | 171.6° | 177.7° |
C6 | C5 | O5 | C4 | 125.1° | 120.0° |
C6 | C5 | O5 | H5 | 116.0° | 120.1° |
C6 | C5 | C4 | H5 | 119.3° | 120.1° |
C6 | C5 | O5 | C1 | 176.5° | 178.9° |
C6 | C5 | C4 | C3 | 163.2° | 177.6° |
C6 | C5 | C4 | O4 | 49.9° | 57.7° |
C6 | C5 | C4 | H4 | 73.7° | 62.5° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
O5 | C5 | C4 | H5 | 119.4° | 120.0° |
C5 | O5 | C1 | C2 | 63.8° | 61.2° |
O5 | C5 | C4 | C3 | 41.9° | 57.6° |
O5 | C5 | C4 | O4 | 71.4° | 62.3° |
C5 | O5 | C1 | H1 | 179.9° | 178.9° |
O5 | C5 | C4 | H4 | 165.0° | 177.6° |
O5 | C5 | C6 | H61 | 180.0° | 60.0° |
O5 | C5 | C6 | H62 | 60.0° | 180.0° |
O5 | C5 | C6 | H63 | 60.0° | 60.0° |
C4 | C5 | O5 | C1 | 58.5° | 61.2° |
C5 | C4 | C3 | O4 | 117.6° | 119.9° |
C5 | C4 | C3 | H4 | 123.0° | 120.0° |
C5 | C4 | O4 | H4 | 122.6° | 120.2° |
C5 | C4 | C3 | C2 | 37.0° | 57.0° |
C5 | C4 | C3 | O3 | 159.4° | 176.9° |
C5 | C4 | O4 | HO4 | 180.0° | 60.3° |
C4 | C5 | C6 | H61 | 55.6° | 59.9° |
C4 | C5 | C6 | H62 | 175.6° | 60.1° |
C4 | C5 | C6 | H63 | 64.4° | 179.9° |
C5 | C4 | C3 | H3 | 60.4° | 62.9° |
O5 | C1 | C2 | H1 | 116.7° | 120.0° |
O5 | C1 | C2 | O2 | 178.4° | 177.5° |
O5 | C1 | C2 | C3 | 53.3° | 57.6° |
O5 | C1 | C2 | H2 | 62.8° | 62.3° |
C1 | O5 | C5 | H5 | 60.5° | 58.8° |
C1 | C2 | C3 | C4 | 43.3° | 57.0° |
C1 | C2 | O2 | C3 | 124.7° | 119.7° |
C1 | C2 | O2 | H2 | 117.7° | 120.1° |
C1 | C2 | C3 | H2 | 116.2° | 119.9° |
C1 | C2 | C3 | O3 | 153.2° | 176.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 54.2° | 62.9° |
C3 | C4 | O4 | H4 | 118.5° | 120.2° |
C4 | C3 | C2 | O2 | 168.5° | 176.9° |
C4 | C3 | C2 | O3 | 163.5° | 119.9° |
C4 | C3 | C2 | H3 | 97.5° | 119.9° |
C4 | C3 | O3 | H3 | 98.3° | 120.2° |
C4 | C3 | C2 | H2 | 72.9° | 62.9° |
C3 | C4 | O4 | HO4 | 61.1° | 180.0° |
C3 | C4 | C5 | H5 | 77.6° | 62.4° |
C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
O4 | C4 | C3 | C2 | 80.5° | 62.9° |
O4 | C4 | C3 | O3 | 83.0° | 57.0° |
O4 | C4 | C5 | H5 | 169.2° | 177.7° |
O4 | C4 | C3 | H3 | 178.0° | 177.2° |
O2 | C2 | C3 | H2 | 118.6° | 120.2° |
O2 | C2 | C3 | O3 | 28.0° | 63.3° |
O2 | C2 | C1 | H1 | 64.8° | 62.6° |
O2 | C2 | C3 | H3 | 71.0° | 56.9° |
C2 | C3 | O3 | H3 | 98.4° | 120.2° |
C3 | C2 | C1 | H1 | 170.1° | 177.6° |
C3 | C2 | O2 | HO2 | 55.3° | 179.7° |
C2 | C3 | C4 | H4 | 160.0° | 176.9° |
C2 | C3 | O3 | HO3 | 16.7° | 60.0° |
O3 | C3 | C2 | H2 | 90.6° | 56.9° |
O3 | C3 | C4 | H4 | 36.4° | 63.1° |
H1 | C1 | C2 | H2 | 53.9° | 57.6° |
H2 | C2 | O2 | HO2 | 62.2° | 60.1° |
H2 | C2 | C3 | H3 | 170.4° | 177.2° |
H4 | C4 | O4 | HO4 | 57.4° | 59.9° |
H4 | C4 | C5 | H5 | 45.6° | 57.6° |
H4 | C4 | C3 | H3 | 62.6° | 57.1° |
H5 | C5 | C6 | H61 | 63.6° | 180.0° |
H5 | C5 | C6 | H62 | 56.5° | 60.0° |
H5 | C5 | C6 | H63 | 176.4° | 60.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |
H10 | C2' | C3' | H11 | 0.3° | 0.0° |
H12 | C5' | C6' | H13 | 0.2° | 0.3° |
H3 | C3 | O3 | HO3 | 81.7° | 60.2° |