26Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.44Å | |
O4' | C4' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.53Å | 1.54Å | |
C3' | C2' | sing | 1.53Å | 1.57Å | |
C4' | C5' | sing | 1.53Å | 1.58Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.53Å | 1.54Å | |
O6' | C6' | sing | 1.43Å | 1.43Å | |
C5' | C6' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.43Å | 1.44Å | |
C1' | O5' | sing | 1.43Å | 1.46Å | |
C1' | N1 | sing | 1.46Å | 1.47Å | |
N1 | C2 | sing | 1.35Å | 1.34Å | |
C2 | O3 | doub | 1.22Å | 1.24Å | |
C2 | C4 | sing | 1.46Å | 1.54Å | |
C4 | C5 | doub | 1.35Å | 1.53Å | |
C5 | C6 | sing | 1.47Å | 1.40Å | |
C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
C7 | C8 | sing | 1.37Å | 1.40Å | Aromatic |
C6 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
C11 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
C9 | C12 | sing | 1.48Å | 1.42Å | |
C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
C12 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | H1 | sing | 1.08Å | 1.08Å | |
C16 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C5 | H10 | sing | 1.08Å | 1.08Å | |
C4 | H11 | sing | 1.08Å | 1.08Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
C1' | H13 | sing | 1.09Å | 1.10Å | |
C5' | H14 | sing | 1.09Å | 1.10Å | |
C6' | H15 | sing | 1.09Å | 1.10Å | |
C6' | H16 | sing | 1.09Å | 1.10Å | |
O6' | H17 | sing | 0.97Å | 0.95Å | |
C4' | H18 | sing | 1.09Å | 1.10Å | |
O4' | H19 | sing | 0.97Å | 0.95Å | |
C3' | H20 | sing | 1.09Å | 1.10Å | |
O3' | H21 | sing | 0.97Å | 0.95Å | |
C2' | H22 | sing | 1.09Å | 1.10Å | |
O2' | H23 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 108.5° | 109.6° |
O3' | C3' | C2' | 112.2° | 109.5° |
O3' | C3' | H20 | 109.9° | 109.7° |
C3' | O3' | H21 | 109.5° | 114.0° |
O4' | C4' | C3' | 109.8° | 109.6° |
O4' | C4' | C5' | 109.2° | 109.5° |
O4' | C4' | H18 | 109.7° | 109.5° |
C4' | O4' | H19 | 109.5° | 114.0° |
C4' | C3' | C2' | 109.5° | 109.0° |
C3' | C4' | C5' | 112.0° | 109.2° |
C3' | C4' | H18 | 108.3° | 109.5° |
C4' | C3' | H20 | 108.5° | 109.5° |
C3' | C2' | O2' | 111.7° | 109.5° |
C3' | C2' | C1' | 107.9° | 109.2° |
C2' | C3' | H20 | 108.1° | 109.5° |
C3' | C2' | H22 | 108.1° | 109.5° |
C4' | C5' | C6' | 111.8° | 109.5° |
C4' | C5' | O5' | 111.7° | 109.4° |
C4' | C5' | H14 | 107.0° | 109.5° |
C5' | C4' | H18 | 107.8° | 109.5° |
O2' | C2' | C1' | 110.7° | 109.5° |
O2' | C2' | H22 | 109.9° | 109.6° |
C2' | O2' | H23 | 109.5° | 114.0° |
C2' | C1' | O5' | 109.0° | 109.4° |
C2' | C1' | N1 | 112.2° | 109.5° |
C2' | C1' | H13 | 109.2° | 109.5° |
C1' | C2' | H22 | 108.4° | 109.5° |
O6' | C6' | C5' | 106.3° | 109.5° |
O6' | C6' | H15 | 110.3° | 109.5° |
O6' | C6' | H16 | 110.3° | 109.5° |
C6' | O6' | H17 | 109.5° | 114.0° |
C6' | C5' | O5' | 109.6° | 109.5° |
C6' | C5' | H14 | 107.8° | 109.5° |
C5' | C6' | H15 | 110.3° | 109.4° |
C5' | C6' | H16 | 110.3° | 109.5° |
C5' | O5' | C1' | 109.8° | 114.1° |
O5' | C5' | H14 | 108.7° | 109.5° |
O5' | C1' | N1 | 106.2° | 109.5° |
O5' | C1' | H13 | 110.2° | 109.5° |
C1' | N1 | C2 | 121.4° | 120.0° |
C1' | N1 | H12 | 119.3° | 120.0° |
N1 | C1' | H13 | 110.1° | 109.5° |
N1 | C2 | O3 | 124.3° | 120.0° |
N1 | C2 | C4 | 114.1° | 120.1° |
C2 | N1 | H12 | 119.3° | 120.0° |
O3 | C2 | C4 | 121.5° | 120.0° |
C2 | C4 | C5 | 119.5° | 120.1° |
C2 | C4 | H11 | 120.2° | 119.9° |
C4 | C5 | C6 | 123.7° | 120.0° |
C4 | C5 | H10 | 118.1° | 119.9° |
C5 | C4 | H11 | 120.3° | 120.0° |
C5 | C6 | C7 | 124.5° | 120.0° |
C5 | C6 | C11 | 116.5° | 120.1° |
C6 | C5 | H10 | 118.2° | 120.0° |
C6 | C7 | C8 | 119.5° | 120.0° |
C7 | C6 | C11 | 119.0° | 119.9° |
C6 | C7 | H7 | 120.3° | 120.0° |
C7 | C8 | C9 | 121.6° | 120.1° |
C7 | C8 | H6 | 119.2° | 120.0° |
C8 | C7 | H7 | 120.3° | 120.0° |
C6 | C11 | C10 | 121.2° | 120.0° |
C6 | C11 | H9 | 119.4° | 120.0° |
C8 | C9 | C10 | 118.4° | 120.1° |
C8 | C9 | C12 | 121.0° | 120.0° |
C9 | C8 | H6 | 119.2° | 120.0° |
C11 | C10 | C9 | 120.3° | 120.1° |
C11 | C10 | H8 | 119.9° | 119.9° |
C10 | C11 | H9 | 119.4° | 120.0° |
C10 | C9 | C12 | 120.6° | 119.9° |
C9 | C10 | H8 | 119.8° | 120.0° |
C9 | C12 | C13 | 121.1° | 120.1° |
C9 | C12 | C17 | 120.4° | 120.1° |
C13 | C12 | C17 | 118.5° | 119.7° |
C12 | C13 | C14 | 121.3° | 119.9° |
C12 | C13 | H5 | 119.4° | 120.1° |
C12 | C17 | C16 | 120.6° | 119.9° |
C12 | C17 | H1 | 119.7° | 120.1° |
C13 | C14 | C15 | 119.2° | 120.1° |
C13 | C14 | H4 | 120.4° | 119.9° |
C14 | C13 | H5 | 119.3° | 120.0° |
C17 | C16 | C15 | 120.0° | 120.1° |
C16 | C17 | H1 | 119.7° | 120.1° |
C17 | C16 | H2 | 120.0° | 119.9° |
C14 | C15 | C16 | 120.4° | 120.3° |
C14 | C15 | H3 | 119.8° | 119.9° |
C15 | C14 | H4 | 120.4° | 120.0° |
C15 | C16 | H2 | 120.0° | 119.9° |
C16 | C15 | H3 | 119.8° | 119.8° |
H15 | C6' | H16 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 67.3° | 63.3° |
O3' | C3' | C4' | C2' | 122.8° | 119.8° |
O3' | C3' | C4' | H20 | 119.3° | 120.3° |
O3' | C3' | C2' | H20 | 121.3° | 120.3° |
O3' | C3' | C4' | C5' | 171.2° | 176.8° |
O3' | C3' | C2' | O2' | 62.3° | 63.3° |
O3' | C3' | C2' | C1' | 175.8° | 176.9° |
O3' | C3' | C4' | H18 | 52.4° | 56.9° |
O3' | C3' | C2' | H22 | 58.7° | 57.0° |
O4' | C4' | C3' | C5' | 121.5° | 119.9° |
O4' | C4' | C3' | H18 | 119.7° | 120.2° |
O4' | C4' | C3' | C2' | 169.8° | 176.9° |
O4' | C4' | C5' | H18 | 119.1° | 120.1° |
O4' | C4' | C5' | C6' | 63.8° | 62.4° |
O4' | C4' | C5' | O5' | 172.9° | 177.6° |
O4' | C4' | C5' | H14 | 54.1° | 57.6° |
O4' | C4' | C3' | H20 | 52.0° | 57.1° |
C4' | C3' | C2' | H20 | 118.0° | 119.8° |
C3' | C4' | C5' | H18 | 119.0° | 119.9° |
C4' | C3' | C2' | O2' | 177.1° | 176.9° |
C4' | C3' | C2' | C1' | 55.2° | 57.0° |
C3' | C4' | C5' | C6' | 174.4° | 177.6° |
C3' | C4' | C5' | O5' | 51.1° | 57.6° |
C3' | C4' | C5' | H14 | 67.7° | 62.4° |
C3' | C4' | O4' | H19 | 180.0° | 60.3° |
C4' | C3' | O3' | H21 | 180.0° | 180.0° |
C4' | C3' | C2' | H22 | 61.9° | 62.9° |
C2' | C3' | C4' | C5' | 48.3° | 57.0° |
C3' | C2' | O2' | C1' | 120.3° | 119.7° |
C3' | C2' | O2' | H22 | 119.9° | 120.2° |
C3' | C2' | C1' | H22 | 116.9° | 119.9° |
C3' | C2' | C1' | O5' | 65.1° | 57.6° |
C3' | C2' | C1' | N1 | 177.5° | 177.6° |
C3' | C2' | C1' | H13 | 55.2° | 62.4° |
C2' | C3' | C4' | H18 | 70.4° | 62.9° |
C2' | C3' | O3' | H21 | 58.8° | 60.5° |
C3' | C2' | O2' | H23 | 180.0° | 180.0° |
C4' | C5' | C6' | O6' | 47.6° | 175.1° |
C4' | C5' | C6' | O5' | 124.4° | 120.0° |
C4' | C5' | C6' | H14 | 117.4° | 120.0° |
C4' | C5' | O5' | H14 | 117.8° | 120.0° |
C4' | C5' | O5' | C1' | 60.1° | 61.2° |
C4' | C5' | C6' | H15 | 72.0° | 55.0° |
C4' | C5' | C6' | H16 | 167.1° | 64.9° |
C5' | C4' | O4' | H19 | 56.8° | 180.0° |
C5' | C4' | C3' | H20 | 69.5° | 62.8° |
O2' | C2' | C1' | H22 | 120.6° | 120.2° |
O2' | C2' | C1' | O5' | 172.4° | 177.5° |
O2' | C2' | C1' | N1 | 55.0° | 62.5° |
O2' | C2' | C1' | H13 | 67.3° | 57.6° |
O2' | C2' | C3' | H20 | 59.1° | 57.0° |
C2' | C1' | O5' | C5' | 68.4° | 61.2° |
C2' | C1' | O5' | N1 | 121.0° | 120.0° |
C2' | C1' | O5' | H13 | 119.7° | 120.0° |
C2' | C1' | N1 | H13 | 121.8° | 120.1° |
C2' | C1' | N1 | C2 | 150.4° | 145.0° |
C2' | C1' | N1 | H12 | 29.6° | 34.9° |
C1' | C2' | C3' | H20 | 62.9° | 62.9° |
C1' | C2' | O2' | H23 | 59.7° | 60.3° |
O6' | C6' | C5' | H15 | 119.5° | 120.0° |
O6' | C6' | C5' | H16 | 119.5° | 120.0° |
O6' | C6' | C5' | O5' | 76.9° | 65.0° |
O6' | C6' | C5' | H14 | 165.0° | 55.1° |
O6' | C6' | H15 | H16 | 121.5° | 120.0° |
C6' | C5' | O5' | H14 | 117.6° | 120.0° |
C6' | C5' | O5' | C1' | 175.4° | 178.8° |
C5' | C6' | H15 | H16 | 121.5° | 120.0° |
C5' | C6' | O6' | H17 | 180.0° | 180.0° |
C6' | C5' | C4' | H18 | 55.4° | 57.7° |
C5' | O5' | C1' | N1 | 170.6° | 178.9° |
C5' | O5' | C1' | H13 | 51.4° | 58.8° |
O5' | C5' | C6' | H15 | 163.6° | 175.0° |
O5' | C5' | C6' | H16 | 42.7° | 55.0° |
O5' | C5' | C4' | H18 | 67.9° | 62.3° |
O5' | C1' | N1 | H13 | 119.3° | 120.0° |
O5' | C1' | N1 | C2 | 90.6° | 95.0° |
O5' | C1' | N1 | H12 | 89.4° | 85.0° |
C1' | O5' | C5' | H14 | 57.8° | 58.8° |
O5' | C1' | C2' | H22 | 51.7° | 62.3° |
C1' | N1 | C2 | H12 | 180.0° | 180.0° |
C1' | N1 | C2 | O3 | 3.6° | 0.1° |
C1' | N1 | C2 | C4 | 178.8° | 180.0° |
N1 | C1' | C2' | H22 | 65.6° | 57.7° |
N1 | C2 | O3 | C4 | 177.4° | 179.9° |
N1 | C2 | C4 | C5 | 179.6° | 180.0° |
N1 | C2 | C4 | H11 | 0.4° | 0.1° |
C2 | N1 | C1' | H13 | 28.7° | 25.0° |
O3 | C2 | C4 | C5 | 2.7° | 0.0° |
O3 | C2 | C4 | H11 | 177.3° | 180.0° |
O3 | C2 | N1 | H12 | 176.4° | 180.0° |
C2 | C4 | C5 | H11 | 180.0° | 180.0° |
C2 | C4 | C5 | C6 | 178.0° | 180.0° |
C2 | C4 | C5 | H10 | 2.0° | 0.0° |
C4 | C2 | N1 | H12 | 1.2° | 0.0° |
C4 | C5 | C6 | H10 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 12.8° | 180.0° |
C4 | C5 | C6 | C11 | 167.2° | 0.3° |
C5 | C6 | C7 | C11 | 180.0° | 179.7° |
C5 | C6 | C7 | C8 | 179.2° | 180.0° |
C5 | C6 | C11 | C10 | 179.6° | 179.7° |
C5 | C6 | C7 | H7 | 0.8° | 0.0° |
C5 | C6 | C11 | H9 | 0.4° | 0.3° |
C6 | C5 | C4 | H11 | 2.0° | 0.0° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.8° | 0.0° |
C7 | C6 | C11 | C10 | 0.4° | 0.6° |
C6 | C7 | C8 | H6 | 179.2° | 180.0° |
C7 | C6 | C11 | H9 | 179.6° | 180.0° |
C7 | C6 | C5 | H10 | 167.2° | 0.0° |
C8 | C7 | C6 | C11 | 0.8° | 0.3° |
C7 | C8 | C9 | H6 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.4° | 0.0° |
C7 | C8 | C9 | C12 | 179.9° | 179.7° |
C6 | C11 | C10 | H9 | 180.0° | 179.4° |
C6 | C11 | C10 | C9 | 0.0° | 0.6° |
C11 | C6 | C7 | H7 | 179.3° | 179.7° |
C6 | C11 | C10 | H8 | 180.0° | 179.4° |
C11 | C6 | C5 | H10 | 12.8° | 179.7° |
C8 | C9 | C10 | C11 | 0.0° | 0.3° |
C8 | C9 | C10 | C12 | 179.7° | 179.8° |
C8 | C9 | C12 | C13 | 42.4° | 0.3° |
C8 | C9 | C12 | C17 | 137.1° | 179.7° |
C9 | C8 | C7 | H7 | 179.3° | 180.0° |
C8 | C9 | C10 | H8 | 180.0° | 179.7° |
C11 | C10 | C9 | H8 | 180.0° | 180.0° |
C11 | C10 | C9 | C12 | 179.7° | 180.0° |
C10 | C9 | C12 | C13 | 137.9° | 180.0° |
C10 | C9 | C12 | C17 | 42.7° | 0.6° |
C10 | C9 | C8 | H6 | 179.6° | 180.0° |
C9 | C10 | C11 | H9 | 180.0° | 180.0° |
C9 | C12 | C13 | C17 | 179.4° | 179.4° |
C9 | C12 | C13 | C14 | 180.0° | 180.0° |
C9 | C12 | C17 | C16 | 179.2° | 180.0° |
C9 | C12 | C17 | H1 | 0.8° | 0.3° |
C9 | C12 | C13 | H5 | 0.0° | 0.2° |
C12 | C9 | C8 | H6 | 0.1° | 0.3° |
C12 | C9 | C10 | H8 | 0.2° | 0.0° |
C12 | C13 | C14 | H5 | 180.0° | 179.7° |
C13 | C12 | C17 | C16 | 0.3° | 0.6° |
C12 | C13 | C14 | C15 | 1.4° | 0.3° |
C13 | C12 | C17 | H1 | 179.7° | 179.7° |
C12 | C13 | C14 | H4 | 178.6° | 179.7° |
C17 | C12 | C13 | C14 | 0.6° | 0.6° |
C12 | C17 | C16 | H1 | 180.0° | 179.7° |
C12 | C17 | C16 | C15 | 0.3° | 0.3° |
C12 | C17 | C16 | H2 | 179.7° | 179.7° |
C17 | C12 | C13 | H5 | 179.4° | 179.7° |
C13 | C14 | C15 | H4 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 1.4° | 0.0° |
C13 | C14 | C15 | H3 | 178.6° | 179.9° |
C17 | C16 | C15 | C14 | 0.6° | 0.0° |
C17 | C16 | C15 | H2 | 180.0° | 179.9° |
C17 | C16 | C15 | H3 | 179.4° | 179.9° |
C14 | C15 | C16 | H3 | 180.0° | 179.9° |
C14 | C15 | C16 | H2 | 179.4° | 180.0° |
C15 | C14 | C13 | H5 | 178.6° | 180.0° |
C15 | C16 | C17 | H1 | 179.7° | 180.0° |
C16 | C15 | C14 | H4 | 178.6° | 180.0° |
H1 | C17 | C16 | H2 | 0.3° | 0.1° |
H2 | C16 | C15 | H3 | 0.6° | 0.0° |
H3 | C15 | C14 | H4 | 1.4° | 0.1° |
H4 | C14 | C13 | H5 | 1.4° | 0.0° |
H6 | C8 | C7 | H7 | 0.7° | 0.0° |
H8 | C10 | C11 | H9 | 0.0° | 0.0° |
H10 | C5 | C4 | H11 | 178.0° | 180.0° |
H12 | N1 | C1' | H13 | 151.3° | 155.0° |
H13 | C1' | C2' | H22 | 172.1° | 177.8° |
H14 | C5' | C6' | H15 | 45.4° | 65.0° |
H14 | C5' | C6' | H16 | 75.5° | 175.1° |
H14 | C5' | C4' | H18 | 173.3° | 177.7° |
H15 | C6' | O6' | H17 | 60.4° | 60.0° |
H16 | C6' | O6' | H17 | 60.5° | 60.0° |
H18 | C4' | O4' | H19 | 61.1° | 59.9° |
H18 | C4' | C3' | H20 | 171.7° | 177.3° |
H20 | C3' | O3' | H21 | 61.5° | 59.7° |
H20 | C3' | C2' | H22 | 179.9° | 177.3° |
H22 | C2' | O2' | H23 | 60.1° | 59.8° |