CJW
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 | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| O6' | C6' | sing | 1.43Å | 1.42Å | |
| C5' | C6' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.50Å | |
| N2 | C1 | sing | 1.35Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | N5 | doub | 1.31Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.31Å | Aromatic |
| N5 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.52Å | |
| C16 | O17 | doub | 1.22Å | 1.25Å | |
| C16 | O18 | sing | 1.35Å | 1.24Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C4' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| O4' | H8 | sing | 0.97Å | 0.95Å | |
| C6' | H9 | sing | 1.09Å | 1.10Å | |
| C6' | H10 | sing | 1.09Å | 1.10Å | |
| O6' | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.0° | 109.5° |
| O3' | C3' | C2' | 110.4° | 109.6° |
| O3' | C3' | H3 | 109.7° | 109.6° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| O4' | C4' | C3' | 109.8° | 109.6° |
| O4' | C4' | C5' | 109.1° | 109.5° |
| O4' | C4' | H2 | 109.8° | 109.4° |
| C4' | O4' | H8 | 109.5° | 114.0° |
| C4' | C3' | C2' | 111.0° | 109.0° |
| C3' | C4' | C5' | 111.2° | 109.2° |
| C3' | C4' | H2 | 108.6° | 109.5° |
| C4' | C3' | H3 | 108.4° | 109.5° |
| C3' | C2' | O2' | 111.2° | 109.5° |
| C3' | C2' | C1' | 109.7° | 109.2° |
| C2' | C3' | H3 | 108.3° | 109.6° |
| C3' | C2' | H4 | 108.4° | 109.5° |
| C4' | C5' | C6' | 113.3° | 109.5° |
| C4' | C5' | O5' | 109.8° | 109.4° |
| C4' | C5' | H1 | 108.4° | 109.5° |
| C5' | C4' | H2 | 108.3° | 109.6° |
| O2' | C2' | C1' | 109.4° | 109.5° |
| O2' | C2' | H4 | 109.7° | 109.6° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| C2' | C1' | O5' | 110.0° | 109.4° |
| C2' | C1' | C1 | 111.6° | 109.5° |
| C1' | C2' | H4 | 108.4° | 109.5° |
| C2' | C1' | H5 | 108.5° | 109.5° |
| O6' | C6' | C5' | 113.0° | 109.5° |
| O6' | C6' | H9 | 108.6° | 109.5° |
| O6' | C6' | H10 | 108.6° | 109.5° |
| C6' | O6' | H11 | 109.5° | 114.0° |
| C6' | C5' | O5' | 106.9° | 109.5° |
| C6' | C5' | H1 | 108.8° | 109.5° |
| C5' | C6' | H9 | 108.6° | 109.4° |
| C5' | C6' | H10 | 108.6° | 109.5° |
| C5' | O5' | C1' | 113.0° | 114.1° |
| O5' | C5' | H1 | 109.6° | 109.5° |
| O5' | C1' | C1 | 108.1° | 109.5° |
| O5' | C1' | H5 | 109.8° | 109.5° |
| C1' | C1 | N2 | 125.5° | 125.9° |
| C1' | C1 | N5 | 126.5° | 125.9° |
| C1 | C1' | H5 | 108.9° | 109.5° |
| C1 | N2 | N3 | 108.0° | 106.6° |
| N2 | C1 | N5 | 108.0° | 108.2° |
| C1 | N2 | H12 | 126.0° | 126.7° |
| N2 | N3 | C4 | 107.5° | 106.6° |
| N3 | N2 | H12 | 126.0° | 126.7° |
| C1 | N5 | C4 | 107.3° | 109.8° |
| N3 | C4 | N5 | 109.2° | 108.7° |
| N3 | C4 | C6 | 125.0° | 125.6° |
| N5 | C4 | C6 | 125.8° | 125.6° |
| C4 | C6 | C7 | 120.2° | 119.7° |
| C4 | C6 | C11 | 120.0° | 119.7° |
| C7 | C6 | C11 | 119.9° | 120.6° |
| C6 | C7 | C8 | 121.3° | 119.6° |
| C6 | C7 | H15 | 119.4° | 120.2° |
| C6 | C11 | C10 | 120.4° | 120.8° |
| C6 | C11 | H13 | 119.8° | 119.6° |
| C7 | C8 | C12 | 121.6° | 120.9° |
| C7 | C8 | C9 | 119.1° | 119.4° |
| C8 | C7 | H15 | 119.4° | 120.2° |
| C11 | C10 | C9 | 121.1° | 120.0° |
| C10 | C11 | H13 | 119.8° | 119.6° |
| C11 | C10 | H14 | 119.5° | 120.0° |
| C12 | C8 | C9 | 119.3° | 119.7° |
| C8 | C12 | C13 | 120.9° | 120.0° |
| C8 | C12 | H18 | 119.5° | 120.0° |
| C8 | C9 | C10 | 118.2° | 119.6° |
| C8 | C9 | C15 | 118.6° | 119.4° |
| C12 | C13 | C14 | 120.8° | 120.8° |
| C12 | C13 | H17 | 119.6° | 119.6° |
| C13 | C12 | H18 | 119.5° | 120.0° |
| C10 | C9 | C15 | 123.2° | 121.0° |
| C9 | C10 | H14 | 119.4° | 120.0° |
| C9 | C15 | C14 | 121.2° | 119.5° |
| C9 | C15 | H16 | 119.4° | 120.2° |
| C13 | C14 | C15 | 119.2° | 120.5° |
| C13 | C14 | C16 | 119.5° | 119.8° |
| C14 | C13 | H17 | 119.6° | 119.6° |
| C15 | C14 | C16 | 121.3° | 119.7° |
| C14 | C15 | H16 | 119.4° | 120.3° |
| C14 | C16 | O17 | 117.4° | 120.0° |
| C14 | C16 | O18 | 118.7° | 120.0° |
| O17 | C16 | O18 | 123.9° | 120.0° |
| C16 | O18 | H19 | 109.5° | 116.9° |
| H9 | C6' | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 65.8° | 63.2° |
| O3' | C3' | C4' | C2' | 121.8° | 119.9° |
| O3' | C3' | C4' | H3 | 119.4° | 120.2° |
| O3' | C3' | C2' | H3 | 120.1° | 120.3° |
| O3' | C3' | C4' | C5' | 173.4° | 176.9° |
| O3' | C3' | C2' | O2' | 65.0° | 63.3° |
| O3' | C3' | C2' | C1' | 173.9° | 176.8° |
| O3' | C3' | C4' | H2 | 54.3° | 56.9° |
| O3' | C3' | C2' | H4 | 55.7° | 57.0° |
| O4' | C4' | C3' | C5' | 120.9° | 120.0° |
| O4' | C4' | C3' | H2 | 120.1° | 120.1° |
| O4' | C4' | C3' | C2' | 172.4° | 177.0° |
| O4' | C4' | C5' | H2 | 119.5° | 120.1° |
| O4' | C4' | C5' | C6' | 65.3° | 62.4° |
| O4' | C4' | C5' | O5' | 175.2° | 177.6° |
| O4' | C4' | C5' | H1 | 55.5° | 57.6° |
| O4' | C4' | C3' | H3 | 53.6° | 57.0° |
| C4' | C3' | C2' | H3 | 118.9° | 119.9° |
| C3' | C4' | C5' | H2 | 119.2° | 120.0° |
| C4' | C3' | C2' | O2' | 174.0° | 176.9° |
| C4' | C3' | C2' | C1' | 52.9° | 57.0° |
| C3' | C4' | C5' | C6' | 173.4° | 177.6° |
| C3' | C4' | C5' | O5' | 53.9° | 57.6° |
| C3' | C4' | C5' | H1 | 65.8° | 62.4° |
| C4' | C3' | C2' | H4 | 65.3° | 62.9° |
| C4' | C3' | O3' | H7 | 180.0° | 180.0° |
| C3' | C4' | O4' | H8 | 180.0° | 60.3° |
| C2' | C3' | C4' | C5' | 51.5° | 57.0° |
| C3' | C2' | O2' | C1' | 121.3° | 119.7° |
| C3' | C2' | O2' | H4 | 119.9° | 120.2° |
| C3' | C2' | C1' | H4 | 118.2° | 119.9° |
| C3' | C2' | C1' | O5' | 57.5° | 57.6° |
| C3' | C2' | C1' | C1 | 177.4° | 177.6° |
| C2' | C3' | C4' | H2 | 67.5° | 63.0° |
| C3' | C2' | C1' | H5 | 62.6° | 62.4° |
| C3' | C2' | O2' | H6 | 180.0° | 60.0° |
| C2' | C3' | O3' | H7 | 57.8° | 60.4° |
| C4' | C5' | C6' | O6' | 47.2° | 175.0° |
| C4' | C5' | C6' | O5' | 121.1° | 119.9° |
| C4' | C5' | C6' | H1 | 120.6° | 120.0° |
| C4' | C5' | O5' | H1 | 119.0° | 120.0° |
| C4' | C5' | O5' | C1' | 60.4° | 61.1° |
| C5' | C4' | C3' | H3 | 67.3° | 62.9° |
| C5' | C4' | O4' | H8 | 57.9° | 180.0° |
| C4' | C5' | C6' | H9 | 73.3° | 55.1° |
| C4' | C5' | C6' | H10 | 167.8° | 64.9° |
| O2' | C2' | C1' | H4 | 119.6° | 120.2° |
| O2' | C2' | C1' | O5' | 179.7° | 177.5° |
| O2' | C2' | C1' | C1 | 60.4° | 62.5° |
| O2' | C2' | C3' | H3 | 55.1° | 57.0° |
| O2' | C2' | C1' | H5 | 59.6° | 57.5° |
| C2' | C1' | O5' | C5' | 62.8° | 61.1° |
| C2' | C1' | O5' | C1 | 122.0° | 120.0° |
| C2' | C1' | O5' | H5 | 119.3° | 120.0° |
| C2' | C1' | C1 | H5 | 119.7° | 120.0° |
| C2' | C1' | C1 | N2 | 45.2° | 124.7° |
| C2' | C1' | C1 | N5 | 134.1° | 55.0° |
| C1' | C2' | C3' | H3 | 66.0° | 62.9° |
| C1' | C2' | O2' | H6 | 58.7° | 179.7° |
| O6' | C6' | C5' | H9 | 120.5° | 120.0° |
| O6' | C6' | C5' | H10 | 120.5° | 120.1° |
| O6' | C6' | C5' | O5' | 73.9° | 65.1° |
| O6' | C6' | C5' | H1 | 167.8° | 55.0° |
| O6' | C6' | H9 | H10 | 118.4° | 120.1° |
| C6' | C5' | O5' | H1 | 117.8° | 120.0° |
| C6' | C5' | O5' | C1' | 176.3° | 178.9° |
| C6' | C5' | C4' | H2 | 54.2° | 57.6° |
| C5' | C6' | H9 | H10 | 118.4° | 120.0° |
| C5' | C6' | O6' | H11 | 180.0° | 180.0° |
| C5' | O5' | C1' | C1 | 175.2° | 178.9° |
| O5' | C5' | C4' | H2 | 65.3° | 62.4° |
| C5' | O5' | C1' | H5 | 56.5° | 58.8° |
| O5' | C5' | C6' | H9 | 165.6° | 175.0° |
| O5' | C5' | C6' | H10 | 46.6° | 55.0° |
| O5' | C1' | C1 | H5 | 119.2° | 120.0° |
| O5' | C1' | C1 | N2 | 75.8° | 115.3° |
| O5' | C1' | C1 | N5 | 104.9° | 65.0° |
| C1' | O5' | C5' | H1 | 58.6° | 58.8° |
| O5' | C1' | C2' | H4 | 60.8° | 62.3° |
| C1' | C1 | N2 | N5 | 179.5° | 179.8° |
| C1' | C1 | N2 | N3 | 179.5° | 179.9° |
| C1' | C1 | N5 | C4 | 178.9° | 180.0° |
| C1 | C1' | C2' | H4 | 59.1° | 57.7° |
| C1' | C1 | N2 | H12 | 0.5° | 0.0° |
| C1 | N2 | N3 | H12 | 180.0° | 179.9° |
| C1 | N2 | N3 | C4 | 0.1° | 0.3° |
| N2 | C1 | N5 | C4 | 1.6° | 0.2° |
| N2 | C1 | C1' | H5 | 165.0° | 4.7° |
| N3 | N2 | C1 | N5 | 1.1° | 0.3° |
| N2 | N3 | C4 | N5 | 0.9° | 0.2° |
| N2 | N3 | C4 | C6 | 179.0° | 179.8° |
| C1 | N5 | C4 | N3 | 1.6° | 0.0° |
| C1 | N5 | C4 | C6 | 179.7° | 180.0° |
| N5 | C1 | C1' | H5 | 14.4° | 175.0° |
| N5 | C1 | N2 | H12 | 178.9° | 179.7° |
| N3 | C4 | N5 | C6 | 178.1° | 180.0° |
| N3 | C4 | C6 | C7 | 14.9° | 0.0° |
| N3 | C4 | C6 | C11 | 164.9° | 179.7° |
| C4 | N3 | N2 | H12 | 179.9° | 179.8° |
| N5 | C4 | C6 | C7 | 162.9° | 180.0° |
| N5 | C4 | C6 | C11 | 17.3° | 0.2° |
| C4 | C6 | C7 | C11 | 179.9° | 179.8° |
| C4 | C6 | C7 | C8 | 180.0° | 179.7° |
| C4 | C6 | C11 | C10 | 178.8° | 180.0° |
| C4 | C6 | C11 | H13 | 1.2° | 0.1° |
| C4 | C6 | C7 | H15 | 0.1° | 0.0° |
| C6 | C7 | C8 | H15 | 180.0° | 179.8° |
| C7 | C6 | C11 | C10 | 1.3° | 0.2° |
| C6 | C7 | C8 | C12 | 179.7° | 179.7° |
| C6 | C7 | C8 | C9 | 0.4° | 0.5° |
| C7 | C6 | C11 | H13 | 178.7° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.5° |
| C6 | C11 | C10 | H13 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 2.1° | 0.1° |
| C6 | C11 | C10 | H14 | 177.8° | 179.9° |
| C11 | C6 | C7 | H15 | 179.9° | 179.7° |
| C7 | C8 | C12 | C9 | 180.0° | 179.7° |
| C7 | C8 | C12 | C13 | 178.5° | 179.8° |
| C7 | C8 | C9 | C10 | 0.4° | 0.2° |
| C7 | C8 | C9 | C15 | 179.9° | 179.8° |
| C7 | C8 | C12 | H18 | 1.6° | 0.2° |
| C11 | C10 | C9 | C8 | 1.6° | 0.0° |
| C11 | C10 | C9 | H14 | 180.0° | 179.9° |
| C11 | C10 | C9 | C15 | 178.9° | 179.9° |
| C8 | C12 | C13 | H18 | 180.0° | 180.0° |
| C12 | C8 | C9 | C10 | 179.6° | 180.0° |
| C12 | C8 | C9 | C15 | 0.1° | 0.0° |
| C8 | C12 | C13 | C14 | 2.4° | 0.1° |
| C12 | C8 | C7 | H15 | 0.4° | 0.0° |
| C8 | C12 | C13 | H17 | 177.6° | 180.0° |
| C9 | C8 | C12 | C13 | 1.6° | 0.1° |
| C8 | C9 | C10 | C15 | 179.5° | 180.0° |
| C8 | C9 | C15 | C14 | 0.9° | 0.1° |
| C8 | C9 | C10 | H14 | 178.3° | 179.9° |
| C9 | C8 | C7 | H15 | 179.6° | 179.7° |
| C8 | C9 | C15 | H16 | 179.1° | 180.0° |
| C9 | C8 | C12 | H18 | 178.4° | 180.0° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.6° | 0.1° |
| C12 | C13 | C14 | C16 | 178.6° | 180.0° |
| C10 | C9 | C15 | C14 | 179.6° | 180.0° |
| C9 | C10 | C11 | H13 | 177.9° | 180.0° |
| C10 | C9 | C15 | H16 | 0.4° | 0.0° |
| C9 | C15 | C14 | C13 | 0.0° | 0.1° |
| C9 | C15 | C14 | H16 | 180.0° | 180.0° |
| C9 | C15 | C14 | C16 | 179.8° | 180.0° |
| C15 | C9 | C10 | H14 | 1.2° | 0.0° |
| C13 | C14 | C15 | C16 | 179.8° | 179.9° |
| C13 | C14 | C16 | O17 | 12.5° | 179.9° |
| C13 | C14 | C16 | O18 | 166.8° | 0.1° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | H18 | 177.6° | 179.9° |
| C15 | C14 | C16 | O17 | 167.3° | 0.0° |
| C15 | C14 | C16 | O18 | 13.3° | 180.0° |
| C15 | C14 | C13 | H17 | 178.4° | 180.0° |
| C14 | C16 | O17 | O18 | 179.3° | 180.0° |
| C16 | C14 | C15 | H16 | 0.2° | 0.0° |
| C16 | C14 | C13 | H17 | 1.5° | 0.1° |
| C14 | C16 | O18 | H19 | 179.3° | 180.0° |
| O17 | C16 | O18 | H19 | 0.0° | 0.0° |
| H1 | C5' | C4' | H2 | 175.0° | 177.7° |
| H1 | C5' | C6' | H9 | 47.3° | 65.0° |
| H1 | C5' | C6' | H10 | 71.7° | 175.0° |
| H2 | C4' | C3' | H3 | 173.7° | 177.1° |
| H2 | C4' | O4' | H8 | 60.7° | 59.9° |
| H3 | C3' | C2' | H4 | 175.8° | 177.2° |
| H3 | C3' | O3' | H7 | 61.4° | 59.8° |
| H4 | C2' | C1' | H5 | 179.1° | 177.7° |
| H4 | C2' | O2' | H6 | 60.1° | 60.1° |
| H9 | C6' | O6' | H11 | 59.5° | 60.1° |
| H10 | C6' | O6' | H11 | 59.5° | 59.9° |
| H13 | C11 | C10 | H14 | 2.1° | 0.2° |
| H17 | C13 | C12 | H18 | 2.5° | 0.0° |
