Y9Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.43Å | |
O3 | C3 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
O4 | C4 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
O3' | N1' | sing | 1.22Å | 1.22Å | |
O2' | N1' | doub | 1.22Å | 1.22Å | |
N1' | C4' | sing | 1.48Å | 1.46Å | |
C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
C3' | C2' | sing | 1.38Å | 1.38Å | Aromatic |
C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
C2' | C1' | doub | 1.39Å | 1.38Å | Aromatic |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
C1' | C6' | sing | 1.39Å | 1.38Å | Aromatic |
C1' | O1 | sing | 1.36Å | 1.38Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | H3 | sing | 0.97Å | 0.95Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
O3 | H5 | sing | 0.97Å | 0.95Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
O4 | H7 | sing | 0.97Å | 0.95Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
O6 | H11 | sing | 0.97Å | 0.95Å | |
C2' | H12 | sing | 1.08Å | 1.08Å | |
C3' | H13 | sing | 1.08Å | 1.08Å | |
C5' | H14 | sing | 1.08Å | 1.08Å | |
C6' | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 111.3° | 109.5° |
O2 | C2 | C1 | 110.1° | 109.5° |
O2 | C2 | H2 | 109.7° | 109.6° |
C2 | O2 | H3 | 109.5° | 114.0° |
O3 | C3 | C2 | 109.9° | 109.5° |
O3 | C3 | C4 | 110.4° | 109.6° |
O3 | C3 | H4 | 109.7° | 109.6° |
C3 | O3 | H5 | 109.5° | 114.0° |
C3 | C2 | C1 | 109.0° | 109.2° |
C2 | C3 | C4 | 109.9° | 109.0° |
C3 | C2 | H2 | 108.5° | 109.5° |
C2 | C3 | H4 | 108.5° | 109.5° |
C2 | C1 | O5 | 110.9° | 109.4° |
C2 | C1 | O1 | 106.9° | 109.4° |
C2 | C1 | H1 | 108.5° | 109.5° |
C1 | C2 | H2 | 108.3° | 109.5° |
O4 | C4 | C3 | 109.8° | 109.5° |
O4 | C4 | C5 | 108.9° | 109.5° |
O4 | C4 | H6 | 110.3° | 109.6° |
C4 | O4 | H7 | 109.5° | 114.0° |
C3 | C4 | C5 | 109.7° | 109.2° |
C4 | C3 | H4 | 108.5° | 109.6° |
C3 | C4 | H6 | 109.1° | 109.5° |
O5 | C1 | O1 | 110.6° | 109.5° |
C1 | O5 | C5 | 113.5° | 114.1° |
O5 | C1 | H1 | 109.9° | 109.5° |
C1 | O1 | C1' | 117.2° | 117.0° |
O1 | C1 | H1 | 109.9° | 109.5° |
C4 | C5 | O5 | 109.9° | 109.4° |
C4 | C5 | C6 | 112.6° | 109.5° |
C5 | C4 | H6 | 109.0° | 109.5° |
C4 | C5 | H8 | 108.8° | 109.4° |
O3' | N1' | O2' | 123.5° | 120.0° |
O3' | N1' | C4' | 118.3° | 120.0° |
O2' | N1' | C4' | 118.3° | 120.0° |
N1' | C4' | C3' | 119.1° | 120.0° |
N1' | C4' | C5' | 119.1° | 119.9° |
C4' | C3' | C2' | 118.6° | 120.1° |
C3' | C4' | C5' | 121.8° | 120.1° |
C4' | C3' | H13 | 120.7° | 119.9° |
C3' | C2' | C1' | 120.0° | 119.9° |
C3' | C2' | H12 | 120.0° | 120.0° |
C2' | C3' | H13 | 120.7° | 120.0° |
C4' | C5' | C6' | 118.7° | 120.0° |
C4' | C5' | H14 | 120.7° | 120.0° |
C2' | C1' | C6' | 121.0° | 119.9° |
C2' | C1' | O1 | 119.0° | 120.1° |
C1' | C2' | H12 | 120.0° | 120.0° |
O5 | C5 | C6 | 106.7° | 109.5° |
O5 | C5 | H8 | 109.9° | 109.5° |
C5' | C6' | C1' | 119.9° | 119.9° |
C6' | C5' | H14 | 120.6° | 119.9° |
C5' | C6' | H15 | 120.1° | 120.0° |
C6' | C1' | O1 | 120.0° | 120.1° |
C1' | C6' | H15 | 120.1° | 120.0° |
C5 | C6 | O6 | 111.4° | 109.5° |
C6 | C5 | H8 | 109.0° | 109.5° |
C5 | C6 | H9 | 109.0° | 109.6° |
C5 | C6 | H10 | 109.0° | 109.5° |
O6 | C6 | H9 | 109.0° | 109.4° |
O6 | C6 | H10 | 109.0° | 109.4° |
C6 | O6 | H11 | 109.5° | 114.0° |
H9 | C6 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | O3 | 60.6° | 63.2° |
O2 | C2 | C3 | C1 | 121.5° | 120.0° |
O2 | C2 | C3 | H2 | 120.7° | 120.2° |
O2 | C2 | C1 | H2 | 119.9° | 120.2° |
O2 | C2 | C3 | C4 | 177.7° | 176.9° |
O2 | C2 | C1 | O5 | 179.6° | 177.5° |
O2 | C2 | C1 | O1 | 59.0° | 57.5° |
O2 | C2 | C1 | H1 | 59.5° | 62.4° |
O2 | C2 | C3 | H4 | 59.3° | 57.0° |
O3 | C3 | C2 | C4 | 121.6° | 119.9° |
O3 | C3 | C2 | H4 | 119.9° | 120.2° |
O3 | C3 | C2 | C1 | 177.8° | 176.8° |
O3 | C3 | C4 | O4 | 58.0° | 56.9° |
O3 | C3 | C4 | H4 | 120.2° | 120.3° |
O3 | C3 | C4 | C5 | 177.7° | 176.9° |
O3 | C3 | C2 | H2 | 60.1° | 57.0° |
O3 | C3 | C4 | H6 | 63.0° | 63.3° |
C3 | C2 | C1 | H2 | 117.8° | 119.9° |
C2 | C3 | C4 | O4 | 63.4° | 62.9° |
C2 | C3 | C4 | H4 | 118.4° | 119.8° |
C3 | C2 | C1 | O5 | 57.4° | 57.6° |
C3 | C2 | C1 | O1 | 63.3° | 62.4° |
C2 | C3 | C4 | C5 | 56.3° | 57.0° |
C3 | C2 | C1 | H1 | 178.2° | 177.6° |
C3 | C2 | O2 | H3 | 180.0° | 180.0° |
C2 | C3 | O3 | H5 | 180.0° | 60.0° |
C2 | C3 | C4 | H6 | 175.6° | 176.9° |
C1 | C2 | C3 | C4 | 56.2° | 56.9° |
C2 | C1 | O5 | O1 | 118.5° | 120.0° |
C2 | C1 | O5 | H1 | 120.0° | 120.0° |
C2 | C1 | O1 | H1 | 117.5° | 120.0° |
C2 | C1 | O5 | C5 | 59.9° | 61.2° |
C2 | C1 | O1 | C1' | 102.1° | 175.1° |
C1 | C2 | O2 | H3 | 59.1° | 60.3° |
C1 | C2 | C3 | H4 | 62.3° | 62.9° |
O4 | C4 | C3 | C5 | 119.7° | 119.9° |
O4 | C4 | C3 | H6 | 121.0° | 120.2° |
O4 | C4 | C5 | H6 | 120.4° | 120.2° |
O4 | C4 | C5 | O5 | 64.2° | 62.3° |
O4 | C4 | C5 | C6 | 54.6° | 57.7° |
O4 | C4 | C3 | H4 | 178.2° | 177.2° |
O4 | C4 | C5 | H8 | 175.5° | 177.7° |
C3 | C4 | C5 | H6 | 119.4° | 119.9° |
C3 | C4 | C5 | O5 | 56.0° | 57.6° |
C3 | C4 | C5 | C6 | 174.8° | 177.6° |
C4 | C3 | C2 | H2 | 61.6° | 62.9° |
C4 | C3 | O3 | H5 | 58.6° | 179.5° |
C3 | C4 | O4 | H7 | 180.0° | 60.0° |
C3 | C4 | C5 | H8 | 64.3° | 62.4° |
O5 | C1 | O1 | H1 | 121.6° | 120.1° |
C1 | O5 | C5 | C4 | 58.9° | 61.2° |
O5 | C1 | O1 | C1' | 137.1° | 65.0° |
C1 | O5 | C5 | C6 | 178.8° | 178.9° |
O5 | C1 | C2 | H2 | 60.5° | 62.3° |
C1 | O5 | C5 | H8 | 60.8° | 58.8° |
C1 | O1 | C1' | C2' | 43.4° | 0.2° |
O1 | C1 | O5 | C5 | 58.6° | 58.8° |
C1 | O1 | C1' | C6' | 138.5° | 180.0° |
O1 | C1 | C2 | H2 | 178.9° | 177.7° |
C4 | C5 | O5 | C6 | 122.4° | 120.0° |
C4 | C5 | O5 | H8 | 119.6° | 119.9° |
C4 | C5 | C6 | H8 | 120.8° | 120.0° |
C4 | C5 | C6 | O6 | 179.0° | 175.0° |
C5 | C4 | C3 | H4 | 62.1° | 62.9° |
C5 | C4 | O4 | H7 | 59.8° | 179.7° |
C4 | C5 | C6 | H9 | 60.7° | 65.0° |
C4 | C5 | C6 | H10 | 58.8° | 55.0° |
O3' | N1' | O2' | C4' | 179.3° | 179.9° |
O3' | N1' | C4' | C3' | 172.0° | 180.0° |
O3' | N1' | C4' | C5' | 7.6° | 0.1° |
O2' | N1' | C4' | C3' | 7.3° | 0.1° |
O2' | N1' | C4' | C5' | 173.1° | 180.0° |
N1' | C4' | C3' | C5' | 179.6° | 180.0° |
N1' | C4' | C3' | C2' | 180.0° | 180.0° |
N1' | C4' | C5' | C6' | 179.7° | 180.0° |
N1' | C4' | C3' | H13 | 0.0° | 0.0° |
N1' | C4' | C5' | H14 | 0.3° | 0.0° |
C4' | C3' | C2' | H13 | 180.0° | 180.0° |
C4' | C3' | C2' | C1' | 0.8° | 0.0° |
C3' | C4' | C5' | C6' | 0.7° | 0.1° |
C4' | C3' | C2' | H12 | 179.2° | 180.0° |
C3' | C4' | C5' | H14 | 179.3° | 180.0° |
C2' | C3' | C4' | C5' | 0.4° | 0.0° |
C3' | C2' | C1' | H12 | 180.0° | 180.0° |
C3' | C2' | C1' | C6' | 1.5° | 0.0° |
C3' | C2' | C1' | O1 | 179.5° | 179.8° |
C4' | C5' | C6' | H14 | 180.0° | 180.0° |
C4' | C5' | C6' | C1' | 1.3° | 0.0° |
C5' | C4' | C3' | H13 | 179.6° | 180.0° |
C4' | C5' | C6' | H15 | 178.7° | 179.7° |
C2' | C1' | C6' | C5' | 1.8° | 0.0° |
C2' | C1' | C6' | O1 | 178.0° | 179.8° |
C1' | C2' | C3' | H13 | 179.2° | 180.0° |
C2' | C1' | C6' | H15 | 178.2° | 179.8° |
O5 | C5 | C6 | H8 | 118.6° | 120.1° |
O5 | C5 | C6 | O6 | 60.3° | 65.1° |
C5 | O5 | C1 | H1 | 179.8° | 178.8° |
O5 | C5 | C4 | H6 | 175.4° | 177.5° |
O5 | C5 | C6 | H9 | 59.9° | 54.9° |
O5 | C5 | C6 | H10 | 179.4° | 175.0° |
C5' | C6' | C1' | H15 | 180.0° | 179.7° |
C5' | C6' | C1' | O1 | 179.8° | 179.8° |
C6' | C1' | C2' | H12 | 178.5° | 179.9° |
C1' | C6' | C5' | H14 | 178.7° | 180.0° |
C1' | O1 | C1 | H1 | 15.5° | 55.1° |
O1 | C1' | C2' | H12 | 0.4° | 0.3° |
O1 | C1' | C6' | H15 | 0.2° | 0.0° |
C5 | C6 | O6 | H9 | 120.3° | 120.1° |
C5 | C6 | O6 | H10 | 120.3° | 120.0° |
C6 | C5 | C4 | H6 | 65.8° | 62.5° |
C5 | C6 | H9 | H10 | 119.1° | 120.1° |
C5 | C6 | O6 | H11 | 180.0° | 180.0° |
O6 | C6 | C5 | H8 | 58.3° | 55.0° |
O6 | C6 | H9 | H10 | 119.1° | 119.9° |
H1 | C1 | C2 | H2 | 60.4° | 57.7° |
H2 | C2 | O2 | H3 | 60.0° | 59.8° |
H2 | C2 | C3 | H4 | 180.0° | 177.2° |
H4 | C3 | O3 | H5 | 60.8° | 60.2° |
H4 | C3 | C4 | H6 | 57.2° | 57.0° |
H6 | C4 | O4 | H7 | 59.8° | 60.1° |
H6 | C4 | C5 | H8 | 55.1° | 57.5° |
H8 | C5 | C6 | H9 | 178.5° | 175.0° |
H8 | C5 | C6 | H10 | 62.0° | 64.9° |
H9 | C6 | O6 | H11 | 59.7° | 59.9° |
H10 | C6 | O6 | H11 | 59.7° | 60.0° |
H12 | C2' | C3' | H13 | 0.8° | 0.1° |
H14 | C5' | C6' | H15 | 1.3° | 0.2° |