4D1
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 | 1.45Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | C2' | sing | 1.53Å | 1.56Å | |
| C4' | C5' | sing | 1.53Å | 1.58Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.52Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.45Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O3 | doub | 1.22Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.38Å | |
| N4 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | O6 | doub | 1.22Å | 1.24Å | |
| C5 | C7 | sing | 1.46Å | 1.54Å | |
| C7 | C8 | doub | 1.35Å | 1.49Å | |
| C8 | C9 | sing | 1.47Å | 1.40Å | |
| C14 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | 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' | 108.0° | 109.6° |
| O3' | C3' | C2' | 109.8° | 109.6° |
| O3' | C3' | H23 | 110.3° | 109.6° |
| C3' | O3' | H24 | 109.5° | 114.0° |
| O4' | C4' | C3' | 111.6° | 109.6° |
| O4' | C4' | C5' | 109.1° | 109.5° |
| O4' | C4' | H21 | 108.9° | 109.5° |
| C4' | O4' | H22 | 109.5° | 114.0° |
| C4' | C3' | C2' | 110.7° | 109.1° |
| C3' | C4' | C5' | 111.7° | 109.2° |
| C3' | C4' | H21 | 108.1° | 109.5° |
| C4' | C3' | H23 | 109.4° | 109.5° |
| C3' | C2' | O2' | 110.4° | 109.5° |
| C3' | C2' | C1' | 106.3° | 109.2° |
| C2' | C3' | H23 | 108.7° | 109.5° |
| C3' | C2' | H25 | 109.3° | 109.5° |
| C4' | C5' | C6' | 110.6° | 109.5° |
| C4' | C5' | O5' | 110.0° | 109.4° |
| C4' | C5' | H17 | 107.2° | 109.5° |
| C5' | C4' | H21 | 107.2° | 109.6° |
| O2' | C2' | C1' | 109.6° | 109.6° |
| O2' | C2' | H25 | 111.2° | 109.6° |
| C2' | O2' | H26 | 109.5° | 114.0° |
| C2' | C1' | O5' | 107.2° | 109.4° |
| C2' | C1' | N1 | 112.3° | 109.5° |
| C2' | C1' | H16 | 109.7° | 109.5° |
| C1' | C2' | H25 | 109.9° | 109.6° |
| O6' | C6' | C5' | 106.9° | 109.4° |
| O6' | C6' | H18 | 110.1° | 109.4° |
| O6' | C6' | H19 | 110.1° | 109.5° |
| C6' | O6' | H20 | 109.5° | 114.0° |
| C6' | C5' | O5' | 111.9° | 109.5° |
| C6' | C5' | H17 | 107.9° | 109.5° |
| C5' | C6' | H18 | 110.1° | 109.5° |
| C5' | C6' | H19 | 110.1° | 109.5° |
| C5' | O5' | C1' | 109.4° | 114.1° |
| O5' | C5' | H17 | 109.1° | 109.5° |
| O5' | C1' | N1 | 106.4° | 109.5° |
| O5' | C1' | H16 | 110.7° | 109.5° |
| C1' | N1 | C2 | 123.2° | 120.0° |
| C1' | N1 | H7 | 118.4° | 120.0° |
| N1 | C1' | H16 | 110.4° | 109.5° |
| N1 | C2 | O3 | 120.9° | 120.0° |
| N1 | C2 | N4 | 115.5° | 120.0° |
| C2 | N1 | H7 | 118.4° | 120.0° |
| O3 | C2 | N4 | 123.4° | 120.0° |
| C2 | N4 | C5 | 122.3° | 120.0° |
| C2 | N4 | H15 | 118.9° | 120.0° |
| N4 | C5 | O6 | 127.6° | 120.0° |
| N4 | C5 | C7 | 111.6° | 120.0° |
| C5 | N4 | H15 | 118.8° | 120.0° |
| O6 | C5 | C7 | 120.6° | 120.0° |
| C5 | C7 | C8 | 119.6° | 120.0° |
| C5 | C7 | H3 | 120.2° | 120.0° |
| C7 | C8 | C9 | 123.4° | 120.0° |
| C8 | C7 | H3 | 120.2° | 120.0° |
| C7 | C8 | H4 | 118.3° | 120.0° |
| C8 | C9 | C14 | 124.7° | 120.2° |
| C8 | C9 | C10 | 115.9° | 120.1° |
| C9 | C8 | H4 | 118.3° | 120.0° |
| C9 | C14 | C13 | 119.6° | 119.9° |
| C14 | C9 | C10 | 119.4° | 119.6° |
| C9 | C14 | H1 | 120.2° | 120.1° |
| C14 | C13 | C12 | 120.6° | 120.1° |
| C13 | C14 | H1 | 120.2° | 120.1° |
| C14 | C13 | H6 | 119.7° | 119.9° |
| C9 | C10 | C11 | 120.6° | 119.8° |
| C9 | C10 | H5 | 119.7° | 120.1° |
| C13 | C12 | C11 | 119.1° | 120.4° |
| C13 | C12 | C15 | 122.1° | 119.8° |
| C12 | C13 | H6 | 119.7° | 119.9° |
| C10 | C11 | C12 | 120.6° | 120.2° |
| C10 | C11 | H2 | 119.7° | 119.9° |
| C11 | C10 | H5 | 119.7° | 120.1° |
| C11 | C12 | C15 | 118.8° | 119.8° |
| C12 | C11 | H2 | 119.7° | 119.9° |
| C12 | C15 | C16 | 107.2° | 109.5° |
| C12 | C15 | C17 | 113.4° | 109.5° |
| C12 | C15 | H11 | 110.0° | 109.4° |
| C16 | C15 | C17 | 108.9° | 109.5° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.4° | 109.5° |
| C16 | C15 | H11 | 108.8° | 109.5° |
| C17 | C15 | H11 | 108.4° | 109.5° |
| C15 | C17 | H12 | 109.5° | 109.5° |
| C15 | C17 | H13 | 109.5° | 109.5° |
| C15 | C17 | H14 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H14 | 109.4° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| 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' | 69.2° | 63.1° |
| O3' | C3' | C4' | C2' | 120.2° | 119.9° |
| O3' | C3' | C4' | H23 | 120.0° | 120.2° |
| O3' | C3' | C2' | H23 | 120.7° | 120.2° |
| O3' | C3' | C4' | C5' | 168.3° | 176.9° |
| O3' | C3' | C2' | O2' | 65.4° | 63.2° |
| O3' | C3' | C2' | C1' | 175.7° | 176.9° |
| O3' | C3' | C4' | H21 | 50.5° | 56.9° |
| O3' | C3' | C2' | H25 | 57.2° | 56.9° |
| O4' | C4' | C3' | C5' | 122.5° | 120.0° |
| O4' | C4' | C3' | H21 | 119.8° | 120.1° |
| O4' | C4' | C3' | C2' | 170.5° | 176.9° |
| O4' | C4' | C5' | H21 | 117.8° | 120.1° |
| O4' | C4' | C5' | C6' | 61.7° | 62.4° |
| O4' | C4' | C5' | O5' | 174.2° | 177.6° |
| O4' | C4' | C5' | H17 | 55.7° | 57.6° |
| O4' | C4' | C3' | H23 | 50.8° | 57.1° |
| C4' | C3' | C2' | H23 | 120.1° | 119.9° |
| C3' | C4' | C5' | H21 | 118.3° | 119.9° |
| C4' | C3' | C2' | O2' | 175.4° | 176.9° |
| C4' | C3' | C2' | C1' | 56.6° | 56.9° |
| C3' | C4' | C5' | C6' | 174.4° | 177.5° |
| C3' | C4' | C5' | O5' | 50.2° | 57.6° |
| C3' | C4' | C5' | H17 | 68.3° | 62.4° |
| C3' | C4' | O4' | H22 | 180.0° | 60.2° |
| C4' | C3' | O3' | H24 | 180.0° | 180.0° |
| C4' | C3' | C2' | H25 | 61.9° | 63.0° |
| C2' | C3' | C4' | C5' | 48.1° | 56.9° |
| C3' | C2' | O2' | C1' | 116.8° | 119.7° |
| C3' | C2' | O2' | H25 | 121.5° | 120.1° |
| C3' | C2' | C1' | H25 | 118.2° | 119.9° |
| C3' | C2' | C1' | O5' | 67.7° | 57.6° |
| C3' | C2' | C1' | N1 | 175.8° | 177.6° |
| C3' | C2' | C1' | H16 | 52.6° | 62.4° |
| C2' | C3' | C4' | H21 | 69.7° | 63.0° |
| C2' | C3' | O3' | H24 | 59.2° | 60.4° |
| C3' | C2' | O2' | H26 | 180.0° | 180.0° |
| C4' | C5' | C6' | O6' | 53.0° | 175.1° |
| C4' | C5' | C6' | O5' | 123.0° | 119.9° |
| C4' | C5' | C6' | H17 | 117.0° | 120.0° |
| C4' | C5' | O5' | H17 | 117.3° | 120.0° |
| C4' | C5' | O5' | C1' | 61.9° | 61.2° |
| C4' | C5' | C6' | H18 | 66.6° | 55.1° |
| C4' | C5' | C6' | H19 | 172.6° | 65.0° |
| C5' | C4' | O4' | H22 | 56.0° | 180.0° |
| C5' | C4' | C3' | H23 | 71.7° | 62.9° |
| O2' | C2' | C1' | H25 | 122.5° | 120.2° |
| O2' | C2' | C1' | O5' | 172.9° | 177.5° |
| O2' | C2' | C1' | N1 | 56.4° | 62.5° |
| O2' | C2' | C1' | H16 | 66.8° | 57.5° |
| O2' | C2' | C3' | H23 | 55.3° | 57.0° |
| C2' | C1' | O5' | C5' | 72.8° | 61.2° |
| C2' | C1' | O5' | N1 | 120.3° | 120.0° |
| C2' | C1' | O5' | H16 | 119.7° | 120.0° |
| C2' | C1' | N1 | H16 | 122.8° | 120.0° |
| C2' | C1' | N1 | C2 | 145.3° | 145.1° |
| C2' | C1' | N1 | H7 | 34.7° | 35.0° |
| C1' | C2' | C3' | H23 | 63.5° | 62.9° |
| C1' | C2' | O2' | H26 | 63.3° | 60.3° |
| O6' | C6' | C5' | H18 | 119.6° | 120.0° |
| O6' | C6' | C5' | H19 | 119.6° | 120.0° |
| O6' | C6' | C5' | O5' | 70.1° | 65.1° |
| O6' | C6' | C5' | H17 | 169.9° | 55.0° |
| O6' | C6' | H18 | H19 | 121.2° | 120.0° |
| C6' | C5' | O5' | H17 | 119.3° | 120.1° |
| C6' | C5' | O5' | C1' | 174.8° | 178.9° |
| C5' | C6' | H18 | H19 | 121.2° | 120.1° |
| C5' | C6' | O6' | H20 | 180.0° | 180.0° |
| C6' | C5' | C4' | H21 | 56.1° | 57.7° |
| C5' | O5' | C1' | N1 | 166.8° | 178.8° |
| C5' | O5' | C1' | H16 | 46.8° | 58.8° |
| O5' | C5' | C6' | H18 | 170.3° | 175.0° |
| O5' | C5' | C6' | H19 | 49.5° | 54.9° |
| O5' | C5' | C4' | H21 | 68.0° | 62.3° |
| O5' | C1' | N1 | H16 | 120.2° | 120.0° |
| O5' | C1' | N1 | C2 | 97.7° | 95.0° |
| O5' | C1' | N1 | H7 | 82.3° | 85.0° |
| C1' | O5' | C5' | H17 | 55.5° | 58.8° |
| O5' | C1' | C2' | H25 | 50.4° | 62.3° |
| C1' | N1 | C2 | H7 | 180.0° | 180.0° |
| C1' | N1 | C2 | O3 | 2.1° | 0.0° |
| C1' | N1 | C2 | N4 | 177.8° | 180.0° |
| N1 | C1' | C2' | H25 | 66.0° | 57.7° |
| N1 | C2 | O3 | N4 | 175.3° | 180.0° |
| N1 | C2 | N4 | C5 | 178.1° | 180.0° |
| N1 | C2 | N4 | H15 | 1.9° | 0.0° |
| C2 | N1 | C1' | H16 | 22.5° | 25.0° |
| O3 | C2 | N4 | C5 | 2.5° | 0.0° |
| O3 | C2 | N1 | H7 | 177.9° | 180.0° |
| O3 | C2 | N4 | H15 | 177.5° | 180.0° |
| C2 | N4 | C5 | H15 | 180.0° | 180.0° |
| C2 | N4 | C5 | O6 | 6.9° | 0.0° |
| C2 | N4 | C5 | C7 | 178.3° | 180.0° |
| N4 | C2 | N1 | H7 | 2.2° | 0.0° |
| N4 | C5 | O6 | C7 | 174.4° | 180.0° |
| N4 | C5 | C7 | C8 | 179.6° | 180.0° |
| N4 | C5 | C7 | H3 | 0.4° | 0.0° |
| O6 | C5 | C7 | C8 | 4.4° | 0.0° |
| O6 | C5 | C7 | H3 | 175.6° | 180.0° |
| O6 | C5 | N4 | H15 | 173.1° | 180.0° |
| C5 | C7 | C8 | H3 | 180.0° | 179.9° |
| C5 | C7 | C8 | C9 | 179.4° | 179.9° |
| C5 | C7 | C8 | H4 | 0.6° | 0.0° |
| C7 | C5 | N4 | H15 | 1.7° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | C14 | 3.4° | 180.0° |
| C7 | C8 | C9 | C10 | 178.5° | 0.1° |
| C8 | C9 | C14 | C10 | 178.1° | 179.9° |
| C8 | C9 | C14 | C13 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 179.5° | 180.0° |
| C8 | C9 | C14 | H1 | 0.3° | 0.2° |
| C9 | C8 | C7 | H3 | 0.6° | 0.0° |
| C8 | C9 | C10 | H5 | 0.5° | 0.1° |
| C9 | C14 | C13 | H1 | 180.0° | 179.8° |
| C9 | C14 | C13 | C12 | 3.2° | 0.1° |
| C14 | C9 | C10 | C11 | 1.3° | 0.0° |
| C14 | C9 | C8 | H4 | 176.7° | 0.1° |
| C14 | C9 | C10 | H5 | 178.8° | 180.0° |
| C9 | C14 | C13 | H6 | 176.8° | 180.0° |
| C13 | C14 | C9 | C10 | 2.2° | 0.1° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 3.0° | 0.0° |
| C14 | C13 | C12 | C15 | 179.7° | 180.0° |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.2° | 0.0° |
| C10 | C9 | C14 | H1 | 177.8° | 179.7° |
| C9 | C10 | C11 | H2 | 178.8° | 180.0° |
| C10 | C9 | C8 | H4 | 1.5° | 180.0° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C13 | C12 | C11 | C15 | 177.4° | 180.0° |
| C13 | C12 | C15 | C16 | 80.2° | 60.0° |
| C13 | C12 | C15 | C17 | 40.0° | 60.0° |
| C12 | C13 | C14 | H1 | 176.8° | 179.7° |
| C13 | C12 | C11 | H2 | 178.0° | 180.0° |
| C13 | C12 | C15 | H11 | 161.6° | 180.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | C15 | 179.4° | 180.0° |
| C11 | C12 | C15 | C16 | 97.0° | 120.0° |
| C11 | C12 | C15 | C17 | 142.7° | 120.0° |
| C12 | C11 | C10 | H5 | 178.8° | 180.0° |
| C11 | C12 | C13 | H6 | 176.9° | 180.0° |
| C11 | C12 | C15 | H11 | 21.1° | 0.0° |
| C12 | C15 | C16 | C17 | 123.1° | 120.0° |
| C12 | C15 | C16 | H11 | 118.9° | 120.0° |
| C12 | C15 | C17 | H11 | 122.5° | 120.0° |
| C15 | C12 | C11 | H2 | 0.6° | 0.0° |
| C15 | C12 | C13 | H6 | 0.3° | 0.1° |
| C12 | C15 | C16 | H8 | 180.0° | 60.0° |
| C12 | C15 | C16 | H9 | 60.0° | 180.0° |
| C12 | C15 | C16 | H10 | 60.0° | 60.0° |
| C12 | C15 | C17 | H12 | 180.0° | 59.9° |
| C12 | C15 | C17 | H13 | 60.0° | 180.0° |
| C12 | C15 | C17 | H14 | 60.0° | 60.0° |
| C16 | C15 | C17 | H11 | 118.2° | 120.0° |
| C15 | C16 | H8 | H9 | 120.0° | 120.1° |
| C15 | C16 | H8 | H10 | 120.0° | 120.0° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C15 | C17 | H12 | 60.7° | 179.9° |
| C16 | C15 | C17 | H13 | 179.3° | 60.0° |
| C16 | C15 | C17 | H14 | 59.3° | 60.0° |
| C17 | C15 | C16 | H8 | 56.9° | 60.0° |
| C17 | C15 | C16 | H9 | 63.1° | 60.0° |
| C17 | C15 | C16 | H10 | 176.9° | 180.0° |
| C15 | C17 | H12 | H13 | 120.0° | 120.0° |
| C15 | C17 | H12 | H14 | 120.0° | 119.9° |
| C15 | C17 | H13 | H14 | 120.0° | 120.0° |
| H1 | C14 | C13 | H6 | 3.2° | 0.2° |
| H2 | C11 | C10 | H5 | 1.1° | 0.0° |
| H3 | C7 | C8 | H4 | 179.4° | 179.9° |
| H7 | N1 | C1' | H16 | 157.5° | 155.0° |
| H8 | C16 | H9 | H10 | 120.0° | 119.9° |
| H8 | C16 | C15 | H11 | 61.1° | 180.0° |
| H9 | C16 | C15 | H11 | 178.9° | 60.0° |
| H10 | C16 | C15 | H11 | 58.9° | 60.0° |
| H11 | C15 | C17 | H12 | 57.5° | 60.0° |
| H11 | C15 | C17 | H13 | 62.5° | 60.0° |
| H11 | C15 | C17 | H14 | 177.5° | 180.0° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H16 | C1' | C2' | H25 | 170.8° | 177.7° |
| H17 | C5' | C6' | H18 | 50.3° | 64.9° |
| H17 | C5' | C6' | H19 | 70.5° | 175.0° |
| H17 | C5' | C4' | H21 | 173.5° | 177.7° |
| H18 | C6' | O6' | H20 | 60.4° | 60.0° |
| H19 | C6' | O6' | H20 | 60.4° | 60.0° |
| H21 | C4' | O4' | H22 | 60.7° | 59.9° |
| H21 | C4' | C3' | H23 | 170.6° | 177.2° |
| H23 | C3' | O3' | H24 | 60.5° | 59.8° |
| H23 | C3' | C2' | H25 | 177.9° | 177.2° |
| H25 | C2' | O2' | H26 | 58.4° | 59.9° |
