9LE
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 | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| N2' | C2' | sing | 1.47Å | 1.47Å | |
| C2' | C1' | sing | 1.53Å | 1.54Å | |
| 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 | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.48Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.37Å | 1.35Å | Aromatic |
| C1 | N5 | doub | 1.30Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| N5 | C4 | sing | 1.35Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| O6' | H1 | sing | 0.97Å | 0.95Å | |
| C6' | H2 | sing | 1.09Å | 1.10Å | |
| C6' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| O4' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| N2' | H11 | sing | 1.01Å | 1.00Å | |
| N2' | H12 | sing | 1.01Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C7 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 108.3° | 109.5° |
| O3' | C3' | C2' | 111.6° | 109.6° |
| O3' | C3' | H7 | 109.5° | 109.6° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| O4' | C4' | C3' | 108.9° | 109.6° |
| O4' | C4' | C5' | 110.5° | 109.5° |
| O4' | C4' | H5 | 109.6° | 109.5° |
| C4' | O4' | H6 | 109.5° | 114.0° |
| C4' | C3' | C2' | 110.7° | 109.1° |
| C3' | C4' | C5' | 111.3° | 109.2° |
| C3' | C4' | H5 | 108.5° | 109.5° |
| C4' | C3' | H7 | 108.5° | 109.5° |
| C3' | C2' | N2' | 110.9° | 109.6° |
| C3' | C2' | C1' | 110.5° | 109.1° |
| C2' | C3' | H7 | 108.2° | 109.5° |
| C3' | C2' | H10 | 108.2° | 109.5° |
| C4' | C5' | C6' | 111.3° | 109.5° |
| C4' | C5' | O5' | 110.3° | 109.4° |
| C4' | C5' | H4 | 107.9° | 109.5° |
| C5' | C4' | H5 | 108.1° | 109.5° |
| N2' | C2' | C1' | 110.2° | 109.5° |
| N2' | C2' | H10 | 109.0° | 109.6° |
| C2' | N2' | H11 | 109.5° | 111.0° |
| C2' | N2' | H12 | 109.5° | 111.0° |
| C2' | C1' | O5' | 108.3° | 109.4° |
| C2' | C1' | C1 | 111.8° | 109.4° |
| C2' | C1' | H9 | 109.1° | 109.5° |
| C1' | C2' | H10 | 108.1° | 109.5° |
| O6' | C6' | C5' | 112.2° | 109.5° |
| C6' | O6' | H1 | 109.5° | 114.0° |
| O6' | C6' | H2 | 108.8° | 109.5° |
| O6' | C6' | H3 | 108.8° | 109.5° |
| C6' | C5' | O5' | 109.9° | 109.5° |
| C5' | C6' | H2 | 108.8° | 109.5° |
| C5' | C6' | H3 | 108.8° | 109.4° |
| C6' | C5' | H4 | 108.1° | 109.5° |
| C5' | O5' | C1' | 112.5° | 114.1° |
| O5' | C5' | H4 | 109.3° | 109.5° |
| O5' | C1' | C1 | 107.0° | 109.5° |
| O5' | C1' | H9 | 110.6° | 109.5° |
| C1' | C1 | N2 | 124.9° | 125.5° |
| C1' | C1 | N5 | 126.2° | 125.5° |
| C1 | C1' | H9 | 109.9° | 109.5° |
| C1 | N2 | C3 | 109.0° | 107.5° |
| N2 | C1 | N5 | 108.9° | 109.0° |
| C1 | N2 | H14 | 125.5° | 126.3° |
| N2 | C3 | C4 | 106.7° | 106.7° |
| C3 | N2 | H14 | 125.5° | 126.3° |
| N2 | C3 | H15 | 126.7° | 126.7° |
| C1 | N5 | C4 | 107.5° | 109.2° |
| C3 | C4 | N5 | 108.0° | 107.7° |
| C3 | C4 | C6 | 125.9° | 126.1° |
| C4 | C3 | H15 | 126.7° | 126.6° |
| N5 | C4 | C6 | 126.0° | 126.2° |
| C4 | C6 | C7 | 120.9° | 119.7° |
| C4 | C6 | C11 | 118.9° | 119.7° |
| C7 | C6 | C11 | 120.1° | 120.6° |
| C6 | C7 | C8 | 119.8° | 119.4° |
| C6 | C7 | H23 | 120.1° | 120.3° |
| C6 | C11 | C10 | 119.9° | 120.9° |
| C6 | C11 | H17 | 120.0° | 119.6° |
| C7 | C8 | C12 | 119.7° | 121.1° |
| C7 | C8 | C9 | 120.0° | 119.5° |
| C8 | C7 | H23 | 120.1° | 120.3° |
| C11 | C10 | C9 | 120.0° | 119.9° |
| C10 | C11 | H17 | 120.0° | 119.5° |
| C11 | C10 | H18 | 120.0° | 120.1° |
| C12 | C8 | C9 | 120.3° | 119.4° |
| C8 | C12 | C13 | 119.7° | 119.7° |
| C8 | C12 | H22 | 120.1° | 120.1° |
| C8 | C9 | C10 | 120.1° | 119.6° |
| C8 | C9 | C15 | 120.2° | 119.3° |
| C12 | C13 | C14 | 120.0° | 121.0° |
| C12 | C13 | H21 | 120.0° | 119.6° |
| C13 | C12 | H22 | 120.2° | 120.2° |
| C10 | C9 | C15 | 119.8° | 121.1° |
| C9 | C10 | H18 | 120.0° | 120.0° |
| C9 | C15 | C14 | 119.6° | 119.7° |
| C9 | C15 | H19 | 120.2° | 120.1° |
| C13 | C14 | C15 | 120.3° | 121.0° |
| C13 | C14 | H20 | 119.9° | 119.5° |
| C14 | C13 | H21 | 120.0° | 119.5° |
| C14 | C15 | H19 | 120.2° | 120.1° |
| C15 | C14 | H20 | 119.9° | 119.5° |
| H2 | C6' | H3 | 109.5° | 109.5° |
| H11 | N2' | H12 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 65.9° | 63.2° |
| O3' | C3' | C4' | C2' | 122.6° | 119.9° |
| O3' | C3' | C4' | H7 | 118.8° | 120.3° |
| O3' | C3' | C2' | H7 | 120.5° | 120.3° |
| O3' | C3' | C4' | C5' | 172.1° | 176.9° |
| O3' | C3' | C2' | N2' | 64.7° | 63.2° |
| O3' | C3' | C2' | C1' | 172.9° | 176.8° |
| O3' | C3' | C4' | H5 | 53.2° | 57.0° |
| O3' | C3' | C2' | H10 | 54.8° | 57.0° |
| O4' | C4' | C3' | C5' | 122.0° | 119.9° |
| O4' | C4' | C3' | H5 | 119.2° | 120.2° |
| O4' | C4' | C3' | C2' | 171.4° | 176.9° |
| O4' | C4' | C5' | H5 | 119.9° | 120.1° |
| O4' | C4' | C5' | C6' | 63.1° | 62.4° |
| O4' | C4' | C5' | O5' | 174.6° | 177.6° |
| O4' | C4' | C5' | H4 | 55.4° | 57.6° |
| O4' | C4' | C3' | H7 | 52.8° | 57.0° |
| C4' | C3' | C2' | H7 | 118.8° | 119.8° |
| C3' | C4' | C5' | H5 | 119.0° | 119.9° |
| C4' | C3' | C2' | N2' | 174.6° | 176.9° |
| C4' | C3' | C2' | C1' | 52.2° | 57.0° |
| C3' | C4' | C5' | C6' | 175.8° | 177.6° |
| C3' | C4' | C5' | O5' | 53.6° | 57.6° |
| C3' | C4' | C5' | H4 | 65.7° | 62.4° |
| C3' | C4' | O4' | H6 | 180.0° | 179.8° |
| C4' | C3' | O3' | H8 | 180.0° | 60.0° |
| C4' | C3' | C2' | H10 | 66.0° | 62.9° |
| C2' | C3' | C4' | C5' | 49.5° | 57.0° |
| C3' | C2' | N2' | C1' | 122.6° | 119.7° |
| C3' | C2' | N2' | H10 | 118.9° | 120.2° |
| C3' | C2' | C1' | H10 | 118.2° | 119.9° |
| C3' | C2' | C1' | O5' | 58.3° | 57.6° |
| C3' | C2' | C1' | C1 | 176.0° | 177.6° |
| C2' | C3' | C4' | H5 | 69.4° | 62.9° |
| C2' | C3' | O3' | H8 | 57.9° | 179.6° |
| C3' | C2' | C1' | H9 | 62.2° | 62.4° |
| C3' | C2' | N2' | H11 | 180.0° | 60.0° |
| C3' | C2' | N2' | H12 | 60.0° | 63.9° |
| C4' | C5' | C6' | O6' | 53.3° | 175.0° |
| C4' | C5' | C6' | O5' | 122.5° | 119.9° |
| C4' | C5' | C6' | H4 | 118.3° | 120.0° |
| C4' | C5' | O5' | H4 | 118.4° | 120.0° |
| C4' | C5' | O5' | C1' | 62.4° | 61.2° |
| C4' | C5' | C6' | H2 | 67.2° | 65.0° |
| C4' | C5' | C6' | H3 | 173.7° | 55.1° |
| C5' | C4' | O4' | H6 | 57.5° | 60.1° |
| C5' | C4' | C3' | H7 | 69.2° | 62.9° |
| N2' | C2' | C1' | H10 | 119.0° | 120.2° |
| N2' | C2' | C1' | O5' | 178.8° | 177.6° |
| N2' | C2' | C1' | C1 | 61.2° | 62.5° |
| N2' | C2' | C3' | H7 | 55.9° | 57.1° |
| N2' | C2' | C1' | H9 | 60.6° | 57.5° |
| C2' | N2' | H11 | H12 | 120.0° | 123.9° |
| C2' | C1' | O5' | C5' | 64.6° | 61.2° |
| C2' | C1' | O5' | C1 | 120.7° | 119.9° |
| C2' | C1' | O5' | H9 | 119.6° | 120.0° |
| C2' | C1' | C1 | H9 | 121.3° | 120.0° |
| C2' | C1' | C1 | N2 | 44.1° | 125.4° |
| C2' | C1' | C1 | N5 | 137.4° | 55.0° |
| C1' | C2' | C3' | H7 | 66.6° | 62.9° |
| C1' | C2' | N2' | H11 | 57.4° | 179.7° |
| C1' | C2' | N2' | H12 | 177.4° | 55.8° |
| O6' | C6' | C5' | H2 | 120.4° | 120.0° |
| O6' | C6' | C5' | H3 | 120.4° | 120.0° |
| O6' | C6' | C5' | O5' | 69.2° | 65.0° |
| O6' | C6' | H2 | H3 | 118.8° | 120.0° |
| O6' | C6' | C5' | H4 | 171.6° | 55.0° |
| C6' | C5' | O5' | H4 | 118.5° | 120.1° |
| C6' | C5' | O5' | C1' | 174.6° | 178.9° |
| C5' | C6' | O6' | H1 | 180.0° | 180.0° |
| C5' | C6' | H2 | H3 | 118.7° | 120.0° |
| C6' | C5' | C4' | H5 | 56.8° | 57.7° |
| C5' | O5' | C1' | C1 | 174.8° | 178.9° |
| O5' | C5' | C6' | H2 | 170.4° | 55.0° |
| O5' | C5' | C6' | H3 | 51.2° | 175.0° |
| O5' | C5' | C4' | H5 | 65.4° | 62.3° |
| C5' | O5' | C1' | H9 | 55.0° | 58.9° |
| O5' | C1' | C1 | H9 | 120.2° | 120.0° |
| O5' | C1' | C1 | N2 | 74.4° | 114.7° |
| O5' | C1' | C1 | N5 | 104.2° | 64.9° |
| C1' | O5' | C5' | H4 | 56.1° | 58.8° |
| O5' | C1' | C2' | H10 | 59.9° | 62.3° |
| C1' | C1 | N2 | N5 | 178.8° | 179.7° |
| C1' | C1 | N2 | C3 | 178.8° | 179.9° |
| C1' | C1 | N5 | C4 | 179.8° | 179.9° |
| C1 | C1' | C2' | H10 | 57.8° | 57.7° |
| C1' | C1 | N2 | H14 | 1.2° | 0.1° |
| C1 | N2 | C3 | H14 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 0.9° | 0.0° |
| N2 | C1 | N5 | C4 | 1.1° | 0.4° |
| N2 | C1 | C1' | H9 | 165.4° | 5.4° |
| C1 | N2 | C3 | H15 | 179.1° | 179.9° |
| C3 | N2 | C1 | N5 | 0.1° | 0.3° |
| N2 | C3 | C4 | H15 | 180.0° | 179.9° |
| N2 | C3 | C4 | N5 | 1.6° | 0.2° |
| N2 | C3 | C4 | C6 | 177.4° | 180.0° |
| C1 | N5 | C4 | C3 | 1.6° | 0.4° |
| C1 | N5 | C4 | C6 | 177.5° | 179.8° |
| N5 | C1 | C1' | H9 | 16.0° | 175.0° |
| N5 | C1 | N2 | H14 | 180.0° | 179.8° |
| C3 | C4 | N5 | C6 | 175.8° | 179.8° |
| C3 | C4 | C6 | C7 | 16.8° | 180.0° |
| C3 | C4 | C6 | C11 | 159.5° | 0.3° |
| C4 | C3 | N2 | H14 | 179.1° | 180.0° |
| N5 | C4 | C6 | C7 | 168.1° | 0.2° |
| N5 | C4 | C6 | C11 | 15.6° | 179.5° |
| N5 | C4 | C3 | H15 | 178.4° | 179.8° |
| C4 | C6 | C7 | C11 | 176.2° | 179.7° |
| C4 | C6 | C7 | C8 | 178.0° | 179.8° |
| C4 | C6 | C11 | C10 | 178.2° | 180.0° |
| C6 | C4 | C3 | H15 | 2.6° | 0.0° |
| C4 | C6 | C11 | H17 | 1.8° | 0.1° |
| C4 | C6 | C7 | H23 | 1.9° | 0.0° |
| C6 | C7 | C8 | H23 | 180.0° | 179.8° |
| C7 | C6 | C11 | C10 | 1.9° | 0.3° |
| C6 | C7 | C8 | C12 | 179.6° | 179.8° |
| C6 | C7 | C8 | C9 | 1.5° | 0.5° |
| C7 | C6 | C11 | H17 | 178.1° | 179.8° |
| C11 | C6 | C7 | C8 | 1.8° | 0.5° |
| C6 | C11 | C10 | H17 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 1.6° | 0.0° |
| C6 | C11 | C10 | H18 | 178.4° | 180.0° |
| C11 | C6 | C7 | H23 | 178.1° | 179.7° |
| C7 | C8 | C12 | C9 | 178.9° | 179.8° |
| C7 | C8 | C12 | C13 | 179.8° | 179.8° |
| C7 | C8 | C9 | C10 | 1.2° | 0.2° |
| C7 | C8 | C9 | C15 | 179.4° | 179.7° |
| C7 | C8 | C12 | H22 | 0.1° | 0.3° |
| C11 | C10 | C9 | C8 | 1.3° | 0.0° |
| C11 | C10 | C9 | H18 | 180.0° | 180.0° |
| C11 | C10 | C9 | C15 | 179.4° | 180.0° |
| C8 | C12 | C13 | H22 | 180.0° | 179.9° |
| C12 | C8 | C9 | C10 | 179.9° | 180.0° |
| C12 | C8 | C9 | C15 | 0.5° | 0.0° |
| C8 | C12 | C13 | C14 | 1.1° | 0.1° |
| C8 | C12 | C13 | H21 | 178.9° | 180.0° |
| C12 | C8 | C7 | H23 | 0.4° | 0.0° |
| C9 | C8 | C12 | C13 | 0.9° | 0.0° |
| C8 | C9 | C10 | C15 | 179.3° | 179.9° |
| C8 | C9 | C15 | C14 | 0.3° | 0.0° |
| C8 | C9 | C10 | H18 | 178.7° | 180.0° |
| C8 | C9 | C15 | H19 | 179.7° | 180.0° |
| C9 | C8 | C12 | H22 | 179.1° | 179.9° |
| C9 | C8 | C7 | H23 | 178.5° | 179.7° |
| C12 | C13 | C14 | H21 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.9° | 0.1° |
| C12 | C13 | C14 | H20 | 179.1° | 180.0° |
| C10 | C9 | C15 | C14 | 179.7° | 180.0° |
| C9 | C10 | C11 | H17 | 178.4° | 180.0° |
| C10 | C9 | C15 | H19 | 0.3° | 0.0° |
| C9 | C15 | C14 | C13 | 0.5° | 0.0° |
| C9 | C15 | C14 | H19 | 180.0° | 180.0° |
| C15 | C9 | C10 | H18 | 0.6° | 0.0° |
| C9 | C15 | C14 | H20 | 179.4° | 180.0° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | H19 | 179.5° | 180.0° |
| C14 | C13 | C12 | H22 | 178.9° | 180.0° |
| C15 | C14 | C13 | H21 | 179.1° | 180.0° |
| H1 | O6' | C6' | H2 | 59.6° | 60.0° |
| H1 | O6' | C6' | H3 | 59.6° | 60.1° |
| H2 | C6' | C5' | H4 | 51.2° | 175.0° |
| H3 | C6' | C5' | H4 | 68.0° | 64.9° |
| H4 | C5' | C4' | H5 | 175.3° | 177.7° |
| H5 | C4' | O4' | H6 | 61.5° | 60.0° |
| H5 | C4' | C3' | H7 | 172.0° | 177.2° |
| H7 | C3' | O3' | H8 | 61.9° | 60.2° |
| H7 | C3' | C2' | H10 | 175.3° | 177.3° |
| H9 | C1' | C2' | H10 | 179.6° | 177.7° |
| H10 | C2' | N2' | H11 | 61.1° | 60.2° |
| H10 | C2' | N2' | H12 | 58.9° | 175.9° |
| H14 | N2 | C3 | H15 | 0.9° | 0.0° |
| H17 | C11 | C10 | H18 | 1.6° | 0.0° |
| H19 | C15 | C14 | H20 | 0.5° | 0.0° |
| H20 | C14 | C13 | H21 | 1.0° | 0.0° |
| H21 | C13 | C12 | H22 | 1.2° | 0.0° |
