2W0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | C9 | sing | 1.51Å | 1.53Å | |
C10 | C9 | doub | 1.36Å | 1.39Å | |
C10 | C11 | sing | 1.40Å | 1.39Å | |
C9 | C8 | sing | 1.41Å | 1.39Å | |
C12 | C11 | doub | 1.36Å | 1.39Å | |
C12 | C13 | sing | 1.40Å | 1.39Å | |
C14 | C13 | doub | 1.36Å | 1.39Å | |
C14 | C15 | sing | 1.41Å | 1.39Å | |
C13 | C20 | sing | 1.51Å | 1.53Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
C2' | C7 | sing | 1.51Å | 1.53Å | |
O2 | C15 | doub | 1.22Å | 1.25Å | |
C15 | O1 | sing | 1.35Å | 1.25Å | |
C8 | C7 | doub | 1.36Å | 1.39Å | |
C1' | C18 | sing | 1.53Å | 1.53Å | |
C7 | C6 | sing | 1.47Å | 1.39Å | |
C18 | C5 | sing | 1.50Å | 1.53Å | |
C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5' | sing | 1.51Å | 1.53Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C5' | H1 | sing | 1.09Å | 1.10Å | |
C5' | H2 | sing | 1.09Å | 1.10Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.08Å | 1.08Å | |
C1 | H6 | sing | 1.08Å | 1.08Å | |
C18 | H7 | sing | 1.09Å | 1.10Å | |
C18 | H8 | sing | 1.09Å | 1.10Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C1' | H10 | sing | 1.09Å | 1.10Å | |
C2' | H11 | sing | 1.09Å | 1.10Å | |
C2' | H12 | sing | 1.09Å | 1.10Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.09Å | 1.10Å | |
C19 | H15 | sing | 1.09Å | 1.10Å | |
C19 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H17 | sing | 1.08Å | 1.08Å | |
C11 | H18 | sing | 1.08Å | 1.08Å | |
C12 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
C20 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.08Å | 1.08Å | |
O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C19 | C9 | C10 | 118.8° | 120.0° |
C19 | C9 | C8 | 119.7° | 120.0° |
C9 | C19 | H14 | 109.5° | 109.5° |
C9 | C19 | H15 | 109.5° | 109.5° |
C9 | C19 | H16 | 109.5° | 109.5° |
C9 | C10 | C11 | 123.2° | 120.0° |
C10 | C9 | C8 | 121.5° | 120.0° |
C9 | C10 | H17 | 118.4° | 120.0° |
C10 | C11 | C12 | 119.7° | 120.0° |
C11 | C10 | H17 | 118.4° | 120.0° |
C10 | C11 | H18 | 120.1° | 120.0° |
C9 | C8 | C7 | 123.3° | 120.0° |
C9 | C8 | H13 | 118.4° | 120.0° |
C11 | C12 | C13 | 121.6° | 120.0° |
C12 | C11 | H18 | 120.1° | 120.0° |
C11 | C12 | H19 | 119.2° | 120.0° |
C12 | C13 | C14 | 118.3° | 120.1° |
C12 | C13 | C20 | 120.1° | 120.0° |
C13 | C12 | H19 | 119.2° | 120.0° |
C13 | C14 | C15 | 124.2° | 120.0° |
C14 | C13 | C20 | 121.6° | 120.0° |
C13 | C14 | H23 | 117.9° | 120.0° |
C14 | C15 | O2 | 117.3° | 120.0° |
C14 | C15 | O1 | 118.8° | 120.0° |
C15 | C14 | H23 | 117.9° | 120.0° |
C13 | C20 | H20 | 109.5° | 109.5° |
C13 | C20 | H21 | 109.5° | 109.4° |
C13 | C20 | H22 | 109.5° | 109.5° |
C1' | C2' | C7 | 112.9° | 107.7° |
C2' | C1' | C18 | 111.0° | 109.4° |
C2' | C1' | H9 | 109.1° | 109.6° |
C2' | C1' | H10 | 109.1° | 109.5° |
C1' | C2' | H11 | 108.6° | 109.9° |
C1' | C2' | H12 | 108.6° | 109.8° |
C2' | C7 | C8 | 118.0° | 121.2° |
C2' | C7 | C6 | 123.4° | 117.8° |
C7 | C2' | H11 | 108.6° | 109.5° |
C7 | C2' | H12 | 108.6° | 110.0° |
O2 | C15 | O1 | 123.9° | 120.0° |
C15 | O1 | H24 | 109.5° | 114.0° |
C8 | C7 | C6 | 118.6° | 121.1° |
C7 | C8 | H13 | 118.3° | 120.0° |
C1' | C18 | C5 | 111.5° | 111.3° |
C1' | C18 | H7 | 109.0° | 109.1° |
C1' | C18 | H8 | 109.0° | 109.1° |
C18 | C1' | H9 | 109.1° | 109.5° |
C18 | C1' | H10 | 109.1° | 109.5° |
C7 | C6 | C5 | 119.2° | 120.1° |
C7 | C6 | C1 | 120.2° | 119.7° |
C18 | C5 | C6 | 121.2° | 121.6° |
C18 | C5 | C4 | 120.4° | 119.1° |
C5 | C18 | H7 | 108.9° | 109.1° |
C5 | C18 | H8 | 108.9° | 109.1° |
C5 | C6 | C1 | 120.5° | 120.1° |
C6 | C5 | C4 | 118.5° | 119.3° |
C6 | C1 | C2 | 120.5° | 119.7° |
C6 | C1 | H6 | 119.8° | 120.1° |
C5 | C4 | C5' | 120.4° | 119.8° |
C5 | C4 | C3 | 121.3° | 120.3° |
C1 | C2 | C3 | 119.5° | 120.0° |
C1 | C2 | H5 | 120.2° | 120.0° |
C2 | C1 | H6 | 119.8° | 120.2° |
C5' | C4 | C3 | 118.3° | 119.8° |
C4 | C5' | H1 | 109.5° | 109.5° |
C4 | C5' | H2 | 109.5° | 109.5° |
C4 | C5' | H3 | 109.5° | 109.4° |
C4 | C3 | C2 | 119.8° | 120.5° |
C4 | C3 | H4 | 120.1° | 119.7° |
C2 | C3 | H4 | 120.1° | 119.8° |
C3 | C2 | H5 | 120.2° | 120.0° |
H1 | C5' | H2 | 109.4° | 109.6° |
H1 | C5' | H3 | 109.4° | 109.4° |
H2 | C5' | H3 | 109.5° | 109.5° |
H7 | C18 | H8 | 109.5° | 109.2° |
H9 | C1' | H10 | 109.5° | 109.5° |
H11 | C2' | H12 | 109.5° | 109.9° |
H14 | C19 | H15 | 109.5° | 109.5° |
H14 | C19 | H16 | 109.5° | 109.5° |
H15 | C19 | H16 | 109.4° | 109.4° |
H20 | C20 | H21 | 109.5° | 109.5° |
H20 | C20 | H22 | 109.5° | 109.5° |
H21 | C20 | H22 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C19 | C9 | C10 | C8 | 177.4° | 179.9° |
C19 | C9 | C10 | C11 | 177.0° | 180.0° |
C19 | C9 | C8 | C7 | 61.0° | 65.6° |
C19 | C9 | C8 | H13 | 119.0° | 114.5° |
C9 | C19 | H14 | H15 | 120.0° | 120.0° |
C9 | C19 | H14 | H16 | 120.0° | 120.1° |
C9 | C19 | H15 | H16 | 120.0° | 120.0° |
C19 | C9 | C10 | H17 | 2.9° | 0.1° |
C9 | C10 | C11 | H17 | 180.0° | 179.9° |
C9 | C10 | C11 | C12 | 166.9° | 180.0° |
C10 | C9 | C8 | C7 | 121.6° | 114.4° |
C10 | C9 | C8 | H13 | 58.4° | 65.6° |
C10 | C9 | C19 | H14 | 180.0° | 84.1° |
C10 | C9 | C19 | H15 | 60.0° | 36.0° |
C10 | C9 | C19 | H16 | 60.0° | 155.9° |
C9 | C10 | C11 | H18 | 13.1° | 0.1° |
C11 | C10 | C9 | C8 | 0.4° | 0.1° |
C10 | C11 | C12 | H18 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 179.7° | 180.0° |
C10 | C11 | C12 | H19 | 0.4° | 0.1° |
C9 | C8 | C7 | C2' | 0.7° | 6.9° |
C9 | C8 | C7 | H13 | 180.0° | 180.0° |
C9 | C8 | C7 | C6 | 179.8° | 174.0° |
C8 | C9 | C19 | H14 | 2.5° | 95.9° |
C8 | C9 | C19 | H15 | 122.5° | 144.1° |
C8 | C9 | C19 | H16 | 117.5° | 24.2° |
C8 | C9 | C10 | H17 | 179.6° | 180.0° |
C11 | C12 | C13 | H19 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 133.3° | 180.0° |
C11 | C12 | C13 | C20 | 47.1° | 0.0° |
C12 | C11 | C10 | H17 | 13.2° | 0.1° |
C12 | C13 | C14 | C20 | 179.5° | 180.0° |
C12 | C13 | C14 | C15 | 179.6° | 172.2° |
C13 | C12 | C11 | H18 | 0.4° | 0.1° |
C12 | C13 | C20 | H20 | 180.0° | 95.6° |
C12 | C13 | C20 | H21 | 60.0° | 144.5° |
C12 | C13 | C20 | H22 | 60.0° | 24.5° |
C12 | C13 | C14 | H23 | 0.3° | 7.8° |
C13 | C14 | C15 | H23 | 180.0° | 180.0° |
C13 | C14 | C15 | O2 | 153.3° | 3.9° |
C13 | C14 | C15 | O1 | 26.8° | 176.1° |
C14 | C13 | C12 | H19 | 46.7° | 0.0° |
C14 | C13 | C20 | H20 | 0.5° | 84.4° |
C14 | C13 | C20 | H21 | 119.5° | 35.6° |
C14 | C13 | C20 | H22 | 120.5° | 155.6° |
C15 | C14 | C13 | C20 | 0.8° | 7.8° |
C14 | C15 | O2 | O1 | 179.8° | 179.9° |
C14 | C15 | O1 | H24 | 179.8° | 180.0° |
C20 | C13 | C12 | H19 | 132.9° | 180.0° |
C13 | C20 | H20 | H21 | 120.0° | 119.9° |
C13 | C20 | H20 | H22 | 120.0° | 120.0° |
C13 | C20 | H21 | H22 | 120.0° | 120.0° |
C20 | C13 | C14 | H23 | 179.2° | 172.2° |
C1' | C2' | C7 | H11 | 120.5° | 119.4° |
C1' | C2' | C7 | H12 | 120.5° | 119.7° |
C1' | C2' | C7 | C8 | 166.0° | 137.4° |
C2' | C1' | C18 | H9 | 120.2° | 120.1° |
C2' | C1' | C18 | H10 | 120.2° | 120.0° |
C1' | C2' | C7 | C6 | 14.5° | 41.8° |
C2' | C1' | C18 | C5 | 52.0° | 54.5° |
C2' | C1' | C18 | H7 | 172.3° | 65.9° |
C2' | C1' | C18 | H8 | 68.3° | 174.9° |
C2' | C1' | H9 | H10 | 119.3° | 120.1° |
C1' | C2' | H11 | H12 | 118.4° | 121.0° |
C2' | C7 | C8 | C6 | 179.5° | 179.2° |
C7 | C2' | C1' | C18 | 43.0° | 63.6° |
C2' | C7 | C6 | C5 | 6.2° | 10.7° |
C2' | C7 | C6 | C1 | 171.5° | 169.0° |
C7 | C2' | C1' | H9 | 77.2° | 176.4° |
C7 | C2' | C1' | H10 | 163.2° | 56.4° |
C7 | C2' | H11 | H12 | 118.4° | 121.0° |
C2' | C7 | C8 | H13 | 179.3° | 173.1° |
O2 | C15 | C14 | H23 | 26.6° | 176.1° |
O2 | C15 | O1 | H24 | 0.0° | 0.1° |
O1 | C15 | C14 | H23 | 153.2° | 3.8° |
C8 | C7 | C6 | C5 | 173.3° | 168.5° |
C8 | C7 | C6 | C1 | 8.9° | 11.8° |
C8 | C7 | C2' | H11 | 73.5° | 103.2° |
C8 | C7 | C2' | H12 | 45.5° | 17.7° |
C1' | C18 | C5 | H7 | 120.3° | 120.4° |
C1' | C18 | C5 | H8 | 120.3° | 120.4° |
C1' | C18 | C5 | C6 | 33.7° | 22.8° |
C1' | C18 | C5 | C4 | 147.4° | 157.0° |
C1' | C18 | H7 | H8 | 119.1° | 119.1° |
C18 | C1' | H9 | H10 | 119.3° | 120.0° |
C18 | C1' | C2' | H11 | 77.5° | 55.6° |
C18 | C1' | C2' | H12 | 163.5° | 176.6° |
C7 | C6 | C5 | C18 | 3.9° | 0.3° |
C7 | C6 | C5 | C1 | 177.7° | 179.7° |
C7 | C6 | C5 | C4 | 177.2° | 179.4° |
C7 | C6 | C1 | C2 | 177.4° | 179.8° |
C7 | C6 | C1 | H6 | 2.6° | 0.1° |
C6 | C7 | C2' | H11 | 106.1° | 77.6° |
C6 | C7 | C2' | H12 | 135.0° | 161.5° |
C6 | C7 | C8 | H13 | 0.2° | 6.1° |
C18 | C5 | C6 | C4 | 178.9° | 179.8° |
C18 | C5 | C6 | C1 | 178.3° | 179.4° |
C18 | C5 | C4 | C5' | 2.0° | 0.3° |
C18 | C5 | C4 | C3 | 178.5° | 179.5° |
C5 | C18 | H7 | H8 | 119.1° | 119.1° |
C5 | C18 | C1' | H9 | 68.2° | 174.6° |
C5 | C18 | C1' | H10 | 172.2° | 65.4° |
C5 | C6 | C1 | C2 | 0.3° | 0.5° |
C6 | C5 | C4 | C5' | 179.1° | 179.5° |
C6 | C5 | C4 | C3 | 0.4° | 0.8° |
C5 | C6 | C1 | H6 | 179.7° | 179.5° |
C6 | C5 | C18 | H7 | 154.0° | 97.7° |
C6 | C5 | C18 | H8 | 86.6° | 143.1° |
C1 | C6 | C5 | C4 | 0.6° | 0.9° |
C6 | C1 | C2 | H6 | 180.0° | 180.0° |
C6 | C1 | C2 | C3 | 0.1° | 0.0° |
C6 | C1 | C2 | H5 | 179.9° | 180.0° |
C5 | C4 | C5' | C3 | 179.5° | 179.7° |
C5 | C4 | C3 | C2 | 0.0° | 0.3° |
C5 | C4 | C5' | H1 | 90.3° | 90.3° |
C5 | C4 | C5' | H2 | 149.7° | 29.8° |
C5 | C4 | C5' | H3 | 29.7° | 149.7° |
C5 | C4 | C3 | H4 | 180.0° | 179.7° |
C4 | C5 | C18 | H7 | 27.2° | 82.6° |
C4 | C5 | C18 | H8 | 92.3° | 36.6° |
C1 | C2 | C3 | C4 | 0.3° | 0.1° |
C1 | C2 | C3 | H5 | 180.0° | 180.0° |
C1 | C2 | C3 | H4 | 179.7° | 179.9° |
C5' | C4 | C3 | C2 | 179.5° | 179.9° |
C4 | C5' | H1 | H2 | 120.0° | 120.0° |
C4 | C5' | H1 | H3 | 120.0° | 119.9° |
C4 | C5' | H2 | H3 | 120.0° | 119.9° |
C5' | C4 | C3 | H4 | 0.5° | 0.0° |
C4 | C3 | C2 | H4 | 180.0° | 180.0° |
C3 | C4 | C5' | H1 | 90.3° | 89.9° |
C3 | C4 | C5' | H2 | 29.7° | 150.0° |
C3 | C4 | C5' | H3 | 149.8° | 30.0° |
C4 | C3 | C2 | H5 | 179.8° | 180.0° |
C3 | C2 | C1 | H6 | 179.9° | 180.0° |
H1 | C5' | H2 | H3 | 120.0° | 120.0° |
H4 | C3 | C2 | H5 | 0.3° | 0.1° |
H5 | C2 | C1 | H6 | 0.1° | 0.0° |
H7 | C18 | C1' | H9 | 52.1° | 54.1° |
H7 | C18 | C1' | H10 | 67.5° | 174.1° |
H8 | C18 | C1' | H9 | 171.5° | 65.0° |
H8 | C18 | C1' | H10 | 51.9° | 55.0° |
H9 | C1' | C2' | H11 | 162.2° | 64.4° |
H9 | C1' | C2' | H12 | 43.3° | 56.6° |
H10 | C1' | C2' | H11 | 42.7° | 175.5° |
H10 | C1' | C2' | H12 | 76.3° | 63.5° |
H14 | C19 | H15 | H16 | 120.0° | 120.0° |
H17 | C10 | C11 | H18 | 166.8° | 179.9° |
H18 | C11 | C12 | H19 | 179.6° | 179.9° |
H20 | C20 | H21 | H22 | 120.0° | 120.0° |