4D0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O4' | C4' | sing | 1.43Å | 1.45Å | |
C3' | C4' | sing | 1.53Å | 1.55Å | |
C3' | C2' | sing | 1.53Å | 1.57Å | |
C4' | C5' | sing | 1.53Å | 1.58Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
O6' | C6' | sing | 1.43Å | 1.45Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C5' | O5' | sing | 1.43Å | 1.45Å | |
C1' | O5' | sing | 1.43Å | 1.46Å | |
C1' | N1 | sing | 1.46Å | 1.47Å | |
N1 | C2 | sing | 1.35Å | 1.35Å | |
C2 | O3 | doub | 1.22Å | 1.24Å | |
C2 | N4 | sing | 1.35Å | 1.36Å | |
N4 | C5 | sing | 1.35Å | 1.36Å | |
C5 | O6 | doub | 1.21Å | 1.24Å | |
C5 | C7 | sing | 1.51Å | 1.54Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C8 | C9 | sing | 1.51Å | 1.40Å | |
C14 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
C12 | C15 | sing | 1.48Å | 1.41Å | |
C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C14 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.08Å | 1.08Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C20 | H6 | sing | 1.08Å | 1.08Å | |
C19 | H7 | sing | 1.08Å | 1.08Å | |
C18 | H8 | sing | 1.08Å | 1.08Å | |
C10 | H9 | sing | 1.08Å | 1.08Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
N1 | H15 | sing | 0.97Å | 1.00Å | |
C1' | H16 | sing | 1.09Å | 1.10Å | |
C5' | H17 | sing | 1.09Å | 1.10Å | |
C6' | H18 | sing | 1.09Å | 1.10Å | |
C6' | H19 | sing | 1.09Å | 1.10Å | |
O6' | H20 | sing | 0.97Å | 0.95Å | |
C4' | H21 | sing | 1.09Å | 1.10Å | |
O4' | H22 | sing | 0.97Å | 0.95Å | |
C3' | H23 | sing | 1.09Å | 1.10Å | |
O3' | H24 | sing | 0.97Å | 0.95Å | |
C2' | H25 | sing | 1.09Å | 1.10Å | |
O2' | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 108.6° | 109.6° |
O3' | C3' | C2' | 110.3° | 109.5° |
O3' | C3' | H23 | 110.2° | 109.6° |
C3' | O3' | H24 | 109.5° | 114.0° |
O4' | C4' | C3' | 109.9° | 109.6° |
O4' | C4' | C5' | 109.8° | 109.5° |
O4' | C4' | H21 | 109.3° | 109.5° |
C4' | O4' | H22 | 109.5° | 114.0° |
C4' | C3' | C2' | 110.8° | 109.0° |
C3' | C4' | C5' | 112.2° | 109.2° |
C3' | C4' | H21 | 108.0° | 109.5° |
C4' | C3' | H23 | 108.5° | 109.6° |
C3' | C2' | O2' | 111.3° | 109.5° |
C3' | C2' | C1' | 108.0° | 109.2° |
C2' | C3' | H23 | 108.4° | 109.5° |
C3' | C2' | H25 | 108.2° | 109.5° |
C4' | C5' | C6' | 111.8° | 109.5° |
C4' | C5' | O5' | 110.0° | 109.4° |
C4' | C5' | H17 | 108.2° | 109.5° |
C5' | C4' | H21 | 107.6° | 109.5° |
O2' | C2' | C1' | 110.6° | 109.5° |
O2' | C2' | H25 | 110.1° | 109.6° |
C2' | O2' | H26 | 109.5° | 114.0° |
C2' | C1' | O5' | 108.7° | 109.4° |
C2' | C1' | N1 | 113.1° | 109.5° |
C2' | C1' | H16 | 109.4° | 109.4° |
C1' | C2' | H25 | 108.6° | 109.5° |
O6' | C6' | C5' | 109.7° | 109.5° |
O6' | C6' | H18 | 109.4° | 109.5° |
O6' | C6' | H19 | 109.4° | 109.5° |
C6' | O6' | H20 | 109.5° | 114.0° |
C6' | C5' | O5' | 108.0° | 109.5° |
C6' | C5' | H17 | 108.8° | 109.5° |
C5' | C6' | H18 | 109.4° | 109.5° |
C5' | C6' | H19 | 109.4° | 109.4° |
C5' | O5' | C1' | 109.7° | 114.1° |
O5' | C5' | H17 | 110.0° | 109.4° |
O5' | C1' | N1 | 105.0° | 109.5° |
O5' | C1' | H16 | 110.3° | 109.5° |
C1' | N1 | C2 | 121.5° | 120.0° |
C1' | N1 | H15 | 119.3° | 120.0° |
N1 | C1' | H16 | 110.2° | 109.4° |
N1 | C2 | O3 | 121.4° | 120.0° |
N1 | C2 | N4 | 115.3° | 120.0° |
C2 | N1 | H15 | 119.3° | 120.0° |
O3 | C2 | N4 | 123.2° | 120.0° |
C2 | N4 | C5 | 123.2° | 120.0° |
C2 | N4 | H14 | 118.4° | 120.0° |
N4 | C5 | O6 | 126.9° | 120.0° |
N4 | C5 | C7 | 112.8° | 120.1° |
C5 | N4 | H14 | 118.4° | 120.0° |
O6 | C5 | C7 | 120.3° | 120.0° |
C5 | C7 | C8 | 114.9° | 109.5° |
C5 | C7 | H12 | 108.1° | 109.4° |
C5 | C7 | H13 | 108.1° | 109.4° |
C7 | C8 | C9 | 119.0° | 109.5° |
C7 | C8 | H10 | 107.0° | 109.4° |
C7 | C8 | H11 | 107.0° | 109.5° |
C8 | C7 | H12 | 108.1° | 109.5° |
C8 | C7 | H13 | 108.1° | 109.5° |
C8 | C9 | C14 | 123.1° | 119.9° |
C8 | C9 | C10 | 116.6° | 119.9° |
C9 | C8 | H10 | 107.1° | 109.5° |
C9 | C8 | H11 | 107.0° | 109.5° |
C9 | C14 | C13 | 119.6° | 120.1° |
C14 | C9 | C10 | 120.2° | 120.2° |
C9 | C14 | H3 | 120.2° | 119.9° |
C14 | C13 | C12 | 120.3° | 119.9° |
C14 | C13 | H2 | 119.9° | 120.0° |
C13 | C14 | H3 | 120.2° | 120.0° |
C9 | C10 | C11 | 120.1° | 120.1° |
C9 | C10 | H9 | 119.9° | 119.9° |
C13 | C12 | C11 | 119.6° | 119.7° |
C13 | C12 | C15 | 119.7° | 120.1° |
C12 | C13 | H2 | 119.9° | 120.1° |
C10 | C11 | C12 | 120.2° | 119.9° |
C10 | C11 | H1 | 119.9° | 120.0° |
C11 | C10 | H9 | 119.9° | 119.9° |
C11 | C12 | C15 | 120.6° | 120.2° |
C12 | C11 | H1 | 119.9° | 120.0° |
C12 | C15 | C20 | 121.5° | 120.1° |
C12 | C15 | C16 | 118.8° | 120.1° |
C15 | C20 | C19 | 119.8° | 119.8° |
C20 | C15 | C16 | 119.6° | 119.8° |
C15 | C20 | H6 | 120.1° | 120.1° |
C20 | C19 | C18 | 119.9° | 120.1° |
C19 | C20 | H6 | 120.1° | 120.1° |
C20 | C19 | H7 | 120.1° | 119.9° |
C15 | C16 | C17 | 120.9° | 119.9° |
C15 | C16 | H4 | 119.6° | 120.1° |
C19 | C18 | C17 | 121.2° | 120.2° |
C18 | C19 | H7 | 120.0° | 119.9° |
C19 | C18 | H8 | 119.4° | 119.9° |
C16 | C17 | C18 | 118.6° | 120.1° |
C17 | C16 | H4 | 119.6° | 120.1° |
C16 | C17 | H5 | 120.7° | 120.0° |
C18 | C17 | H5 | 120.7° | 119.9° |
C17 | C18 | H8 | 119.4° | 119.9° |
H10 | C8 | H11 | 109.5° | 109.4° |
H12 | C7 | H13 | 109.4° | 109.4° |
H18 | C6' | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 69.9° | 63.2° |
O3' | C3' | C4' | C2' | 121.3° | 119.9° |
O3' | C3' | C4' | H23 | 119.8° | 120.3° |
O3' | C3' | C2' | H23 | 120.7° | 120.2° |
O3' | C3' | C4' | C5' | 167.6° | 176.8° |
O3' | C3' | C2' | O2' | 65.4° | 63.2° |
O3' | C3' | C2' | C1' | 173.0° | 176.8° |
O3' | C3' | C4' | H21 | 49.2° | 56.9° |
O3' | C3' | C2' | H25 | 55.6° | 57.0° |
O4' | C4' | C3' | C5' | 122.5° | 120.0° |
O4' | C4' | C3' | H21 | 119.1° | 120.1° |
O4' | C4' | C3' | C2' | 168.7° | 176.9° |
O4' | C4' | C5' | H21 | 118.8° | 120.0° |
O4' | C4' | C5' | C6' | 67.0° | 62.4° |
O4' | C4' | C5' | O5' | 173.1° | 177.6° |
O4' | C4' | C5' | H17 | 52.9° | 57.7° |
O4' | C4' | C3' | H23 | 49.8° | 57.0° |
C4' | C3' | C2' | H23 | 119.0° | 119.9° |
C3' | C4' | C5' | H21 | 118.6° | 119.9° |
C4' | C3' | C2' | O2' | 174.3° | 176.9° |
C4' | C3' | C2' | C1' | 52.7° | 56.9° |
C3' | C4' | C5' | C6' | 170.5° | 177.6° |
C3' | C4' | C5' | O5' | 50.5° | 57.6° |
C3' | C4' | C5' | H17 | 69.7° | 62.4° |
C3' | C4' | O4' | H22 | 180.0° | 60.2° |
C4' | C3' | O3' | H24 | 180.0° | 180.0° |
C4' | C3' | C2' | H25 | 64.7° | 62.9° |
C2' | C3' | C4' | C5' | 46.2° | 57.0° |
C3' | C2' | O2' | C1' | 120.0° | 119.7° |
C3' | C2' | O2' | H25 | 119.9° | 120.2° |
C3' | C2' | C1' | H25 | 117.1° | 119.9° |
C3' | C2' | C1' | O5' | 64.6° | 57.6° |
C3' | C2' | C1' | N1 | 179.2° | 177.6° |
C3' | C2' | C1' | H16 | 55.9° | 62.4° |
C2' | C3' | C4' | H21 | 72.2° | 62.9° |
C2' | C3' | O3' | H24 | 58.4° | 60.4° |
C3' | C2' | O2' | H26 | 180.0° | 180.0° |
C4' | C5' | C6' | O6' | 45.1° | 175.1° |
C4' | C5' | C6' | O5' | 121.2° | 120.0° |
C4' | C5' | C6' | H17 | 119.5° | 120.0° |
C4' | C5' | O5' | H17 | 119.1° | 120.0° |
C4' | C5' | O5' | C1' | 62.2° | 61.1° |
C4' | C5' | C6' | H18 | 75.0° | 55.1° |
C4' | C5' | C6' | H19 | 165.1° | 65.0° |
C5' | C4' | O4' | H22 | 56.1° | 180.0° |
C5' | C4' | C3' | H23 | 72.6° | 62.9° |
O2' | C2' | C1' | H25 | 120.9° | 120.2° |
O2' | C2' | C1' | O5' | 173.4° | 177.5° |
O2' | C2' | C1' | N1 | 57.2° | 62.5° |
O2' | C2' | C1' | H16 | 66.1° | 57.5° |
O2' | C2' | C3' | H23 | 55.3° | 57.0° |
C2' | C1' | O5' | C5' | 71.2° | 61.1° |
C2' | C1' | O5' | N1 | 121.3° | 120.0° |
C2' | C1' | O5' | H16 | 119.9° | 120.0° |
C2' | C1' | N1 | H16 | 122.8° | 120.0° |
C2' | C1' | N1 | C2 | 144.6° | 145.0° |
C2' | C1' | N1 | H15 | 35.3° | 35.0° |
C1' | C2' | C3' | H23 | 66.3° | 63.0° |
C1' | C2' | O2' | H26 | 59.9° | 60.3° |
O6' | C6' | C5' | H18 | 120.0° | 120.0° |
O6' | C6' | C5' | H19 | 120.0° | 120.0° |
O6' | C6' | C5' | O5' | 76.1° | 65.0° |
O6' | C6' | C5' | H17 | 164.6° | 55.0° |
O6' | C6' | H18 | H19 | 119.9° | 120.0° |
C6' | C5' | O5' | H17 | 118.6° | 120.0° |
C6' | C5' | O5' | C1' | 175.5° | 178.9° |
C5' | C6' | H18 | H19 | 119.9° | 120.0° |
C5' | C6' | O6' | H20 | 180.0° | 180.0° |
C6' | C5' | C4' | H21 | 51.9° | 57.7° |
C5' | O5' | C1' | N1 | 167.5° | 178.9° |
C5' | O5' | C1' | H16 | 48.8° | 58.9° |
O5' | C5' | C6' | H18 | 163.8° | 175.0° |
O5' | C5' | C6' | H19 | 43.9° | 55.0° |
O5' | C5' | C4' | H21 | 68.1° | 62.4° |
O5' | C1' | N1 | H16 | 118.8° | 120.0° |
O5' | C1' | N1 | C2 | 97.0° | 95.0° |
O5' | C1' | N1 | H15 | 83.1° | 85.0° |
C1' | O5' | C5' | H17 | 56.9° | 58.8° |
O5' | C1' | C2' | H25 | 52.5° | 62.3° |
C1' | N1 | C2 | H15 | 180.0° | 180.0° |
C1' | N1 | C2 | O3 | 0.1° | 0.0° |
C1' | N1 | C2 | N4 | 178.1° | 180.0° |
N1 | C1' | C2' | H25 | 63.7° | 57.7° |
N1 | C2 | O3 | N4 | 178.1° | 180.0° |
N1 | C2 | N4 | C5 | 179.7° | 180.0° |
N1 | C2 | N4 | H14 | 0.4° | 0.1° |
C2 | N1 | C1' | H16 | 21.8° | 25.1° |
O3 | C2 | N4 | C5 | 2.2° | 0.1° |
O3 | C2 | N4 | H14 | 177.8° | 180.0° |
O3 | C2 | N1 | H15 | 179.8° | 180.0° |
C2 | N4 | C5 | H14 | 180.0° | 179.9° |
C2 | N4 | C5 | O6 | 3.4° | 0.1° |
C2 | N4 | C5 | C7 | 178.5° | 180.0° |
N4 | C2 | N1 | H15 | 1.9° | 0.0° |
N4 | C5 | O6 | C7 | 178.0° | 179.9° |
N4 | C5 | C7 | C8 | 178.9° | 179.9° |
N4 | C5 | C7 | H12 | 58.1° | 59.9° |
N4 | C5 | C7 | H13 | 60.3° | 60.0° |
O6 | C5 | C7 | C8 | 2.8° | 0.0° |
O6 | C5 | C7 | H12 | 123.6° | 120.0° |
O6 | C5 | C7 | H13 | 118.0° | 120.1° |
O6 | C5 | N4 | H14 | 176.6° | 180.0° |
C5 | C7 | C8 | H12 | 120.8° | 120.0° |
C5 | C7 | C8 | H13 | 120.8° | 120.0° |
C5 | C7 | C8 | C9 | 177.1° | 180.0° |
C5 | C7 | C8 | H10 | 55.7° | 60.0° |
C5 | C7 | C8 | H11 | 61.6° | 60.0° |
C5 | C7 | H12 | H13 | 117.5° | 119.9° |
C7 | C5 | N4 | H14 | 1.5° | 0.1° |
C7 | C8 | C9 | H10 | 121.3° | 120.0° |
C7 | C8 | C9 | H11 | 121.3° | 120.1° |
C7 | C8 | C9 | C14 | 3.5° | 90.0° |
C7 | C8 | C9 | C10 | 176.1° | 90.3° |
C7 | C8 | H10 | H11 | 115.7° | 120.0° |
C8 | C7 | H12 | H13 | 117.5° | 120.1° |
C8 | C9 | C14 | C10 | 179.6° | 179.7° |
C8 | C9 | C14 | C13 | 179.3° | 180.0° |
C8 | C9 | C10 | C11 | 179.9° | 179.7° |
C8 | C9 | C14 | H3 | 0.7° | 0.2° |
C8 | C9 | C10 | H9 | 0.1° | 0.3° |
C9 | C8 | H10 | H11 | 115.7° | 120.0° |
C9 | C8 | C7 | H12 | 62.1° | 60.0° |
C9 | C8 | C7 | H13 | 56.3° | 60.0° |
C9 | C14 | C13 | H3 | 180.0° | 179.8° |
C9 | C14 | C13 | C12 | 1.0° | 0.2° |
C14 | C9 | C10 | C11 | 0.2° | 0.0° |
C9 | C14 | C13 | H2 | 179.0° | 179.6° |
C14 | C9 | C10 | H9 | 179.8° | 180.0° |
C14 | C9 | C8 | H10 | 124.8° | 150.0° |
C14 | C9 | C8 | H11 | 117.8° | 30.0° |
C13 | C14 | C9 | C10 | 0.3° | 0.3° |
C14 | C13 | C12 | H2 | 180.0° | 179.9° |
C14 | C13 | C12 | C11 | 1.2° | 0.1° |
C14 | C13 | C12 | C15 | 178.0° | 180.0° |
C9 | C10 | C11 | H9 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 0.0° | 0.3° |
C9 | C10 | C11 | H1 | 180.0° | 180.0° |
C10 | C9 | C14 | H3 | 179.7° | 179.9° |
C10 | C9 | C8 | H10 | 54.8° | 29.7° |
C10 | C9 | C8 | H11 | 62.6° | 149.7° |
C13 | C12 | C11 | C10 | 0.7° | 0.3° |
C13 | C12 | C11 | C15 | 176.8° | 180.0° |
C13 | C12 | C15 | C20 | 27.6° | 0.3° |
C13 | C12 | C15 | C16 | 149.0° | 180.0° |
C13 | C12 | C11 | H1 | 179.3° | 180.0° |
C12 | C13 | C14 | H3 | 179.0° | 180.0° |
C10 | C11 | C12 | H1 | 180.0° | 179.7° |
C10 | C11 | C12 | C15 | 177.5° | 179.7° |
C11 | C12 | C15 | C20 | 155.7° | 179.7° |
C11 | C12 | C15 | C16 | 27.8° | 0.0° |
C11 | C12 | C13 | H2 | 178.8° | 179.9° |
C12 | C11 | C10 | H9 | 180.0° | 179.7° |
C12 | C15 | C20 | C16 | 176.6° | 179.7° |
C12 | C15 | C20 | C19 | 178.0° | 179.8° |
C12 | C15 | C16 | C17 | 178.3° | 179.8° |
C15 | C12 | C11 | H1 | 2.5° | 0.0° |
C15 | C12 | C13 | H2 | 2.0° | 0.1° |
C12 | C15 | C16 | H4 | 1.6° | 0.3° |
C12 | C15 | C20 | H6 | 2.1° | 0.3° |
C15 | C20 | C19 | H6 | 180.0° | 180.0° |
C15 | C20 | C19 | C18 | 1.1° | 0.0° |
C20 | C15 | C16 | C17 | 1.7° | 0.0° |
C20 | C15 | C16 | H4 | 178.3° | 179.9° |
C15 | C20 | C19 | H7 | 178.9° | 180.0° |
C19 | C20 | C15 | C16 | 1.4° | 0.0° |
C20 | C19 | C18 | H7 | 180.0° | 180.0° |
C20 | C19 | C18 | C17 | 1.0° | 0.1° |
C20 | C19 | C18 | H8 | 179.0° | 180.0° |
C15 | C16 | C17 | H4 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 1.6° | 0.0° |
C15 | C16 | C17 | H5 | 178.4° | 179.9° |
C16 | C15 | C20 | H6 | 178.6° | 180.0° |
C19 | C18 | C17 | C16 | 1.3° | 0.1° |
C19 | C18 | C17 | H8 | 180.0° | 179.9° |
C19 | C18 | C17 | H5 | 178.7° | 180.0° |
C18 | C19 | C20 | H6 | 178.9° | 180.0° |
C16 | C17 | C18 | H5 | 180.0° | 179.9° |
C16 | C17 | C18 | H8 | 178.7° | 180.0° |
C18 | C17 | C16 | H4 | 178.3° | 179.9° |
C17 | C18 | C19 | H7 | 179.0° | 180.0° |
H1 | C11 | C10 | H9 | 0.0° | 0.0° |
H2 | C13 | C14 | H3 | 1.0° | 0.2° |
H4 | C16 | C17 | H5 | 1.6° | 0.0° |
H5 | C17 | C18 | H8 | 1.3° | 0.1° |
H6 | C20 | C19 | H7 | 1.1° | 0.0° |
H7 | C19 | C18 | H8 | 1.0° | 0.0° |
H10 | C8 | C7 | H12 | 176.5° | 180.0° |
H10 | C8 | C7 | H13 | 65.1° | 60.0° |
H11 | C8 | C7 | H12 | 59.2° | 60.0° |
H11 | C8 | C7 | H13 | 177.6° | 180.0° |
H15 | N1 | C1' | H16 | 158.2° | 154.9° |
H16 | C1' | C2' | H25 | 173.0° | 177.7° |
H17 | C5' | C6' | H18 | 44.5° | 65.0° |
H17 | C5' | C6' | H19 | 75.4° | 175.0° |
H17 | C5' | C4' | H21 | 171.7° | 177.7° |
H18 | C6' | O6' | H20 | 60.0° | 60.0° |
H19 | C6' | O6' | H20 | 60.0° | 60.0° |
H21 | C4' | O4' | H22 | 61.7° | 60.0° |
H21 | C4' | C3' | H23 | 168.9° | 177.2° |
H23 | C3' | O3' | H24 | 61.2° | 59.7° |
H23 | C3' | C2' | H25 | 176.3° | 177.2° |
H25 | C2' | O2' | H26 | 60.1° | 59.9° |