DF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.39Å | 1.36Å | |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.46Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | N1' | sing | 1.47Å | 1.44Å | |
| N1' | C2' | sing | 1.47Å | 1.46Å | |
| N1' | C1' | sing | 1.48Å | 1.45Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C1' | C4' | sing | 1.55Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | S6' | sing | 1.81Å | 1.76Å | |
| S6' | C7' | sing | 1.81Å | 1.75Å | |
| C7' | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| C7' | H7'A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 120.3° | 120.7° |
| N6 | C6 | C5 | 120.7° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N1 | C6 | C5 | 118.9° | 118.6° |
| C6 | N1 | C2 | 122.1° | 121.4° |
| C6 | C5 | C4 | 117.3° | 118.1° |
| C6 | C5 | N7 | 135.5° | 134.6° |
| N1 | C2 | N3 | 120.5° | 122.3° |
| N1 | C2 | H2 | 119.8° | 118.8° |
| C2 | N3 | C4 | 119.4° | 120.5° |
| N3 | C2 | H2 | 119.8° | 118.9° |
| N3 | C4 | C5 | 121.8° | 119.2° |
| N3 | C4 | C9 | 129.3° | 134.9° |
| C4 | C5 | N7 | 107.2° | 107.3° |
| C5 | C4 | C9 | 108.9° | 106.0° |
| C5 | N7 | C8 | 109.5° | 109.8° |
| C5 | N7 | HN7 | 125.3° | 125.0° |
| C4 | C9 | C8 | 105.3° | 107.1° |
| C4 | C9 | C10 | 129.4° | 126.5° |
| N7 | C8 | C9 | 109.1° | 109.8° |
| C8 | N7 | HN7 | 125.2° | 125.1° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| C8 | C9 | C10 | 125.3° | 126.4° |
| C9 | C8 | H8 | 125.4° | 125.1° |
| C9 | C10 | N1' | 110.8° | 109.5° |
| C9 | C10 | H10 | 109.0° | 109.5° |
| C9 | C10 | H10A | 108.7° | 109.4° |
| C10 | N1' | C2' | 121.0° | 111.0° |
| C10 | N1' | C1' | 119.8° | 111.0° |
| N1' | C10 | H10 | 109.0° | 109.5° |
| N1' | C10 | H10A | 108.7° | 109.5° |
| C2' | N1' | C1' | 119.1° | 108.6° |
| N1' | C2' | C3' | 100.6° | 107.2° |
| N1' | C2' | H2' | 112.5° | 109.9° |
| N1' | C2' | H2'A | 114.4° | 109.9° |
| N1' | C1' | C4' | 101.2° | 104.8° |
| N1' | C1' | H1' | 112.3° | 110.3° |
| N1' | C1' | H1'A | 114.0° | 110.4° |
| C2' | C3' | O3' | 108.3° | 110.7° |
| C2' | C3' | C4' | 108.0° | 103.0° |
| C3' | C2' | H2' | 112.5° | 109.9° |
| C3' | C2' | H2'A | 114.3° | 109.9° |
| C2' | C3' | H3' | 109.8° | 110.7° |
| O3' | C3' | C4' | 105.1° | 110.7° |
| O3' | C3' | H3' | 112.6° | 110.7° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C1' | 109.1° | 101.7° |
| C3' | C4' | C5' | 114.0° | 111.0° |
| C4' | C3' | H3' | 112.8° | 110.9° |
| C3' | C4' | H4' | 106.4° | 111.0° |
| C1' | C4' | C5' | 108.9° | 111.0° |
| C4' | C1' | H1' | 112.3° | 110.4° |
| C4' | C1' | H1'A | 114.0° | 110.4° |
| C1' | C4' | H4' | 111.7° | 111.0° |
| C4' | C5' | S6' | 114.3° | 109.5° |
| C5' | C4' | H4' | 106.7° | 110.9° |
| C4' | C5' | H5' | 107.9° | 109.4° |
| C4' | C5' | H5'A | 106.8° | 109.4° |
| C5' | S6' | C7' | 103.7° | 103.0° |
| S6' | C5' | H5' | 107.9° | 109.5° |
| S6' | C5' | H5'A | 106.8° | 109.5° |
| S6' | C7' | C21 | 111.6° | 109.4° |
| S6' | C7' | H7' | 108.7° | 109.5° |
| S6' | C7' | H7'A | 108.3° | 109.4° |
| C7' | C21 | C26 | 121.6° | 120.0° |
| C7' | C21 | C22 | 119.2° | 120.0° |
| C21 | C7' | H7' | 108.8° | 109.5° |
| C21 | C7' | H7'A | 108.3° | 109.4° |
| C26 | C21 | C22 | 119.1° | 120.0° |
| C21 | C26 | C25 | 120.3° | 120.0° |
| C21 | C26 | H26 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C26 | C25 | C24 | 120.6° | 120.0° |
| C25 | C26 | H26 | 119.8° | 119.9° |
| C26 | C25 | H25 | 119.7° | 120.1° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | H25 | 119.7° | 120.0° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.0° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C23 | C22 | H22 | 119.7° | 120.0° |
| HN6 | N6 | HN6A | 109.4° | 119.9° |
| H10 | C10 | H10A | 110.6° | 109.5° |
| H2' | C2' | H2'A | 102.9° | 110.0° |
| H1' | C1' | H1'A | 103.3° | 110.4° |
| H5' | C5' | H5'A | 113.4° | 109.5° |
| H7' | C7' | H7'A | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 179.7° | 179.8° |
| N6 | C6 | N1 | C2 | 179.5° | 180.0° |
| N6 | C6 | C5 | C4 | 179.6° | 179.8° |
| N6 | C6 | C5 | N7 | 0.0° | 0.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.8° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.4° |
| N1 | C6 | C5 | N7 | 179.8° | 179.7° |
| N1 | C6 | N6 | HN6 | 22.2° | 0.1° |
| N1 | C6 | N6 | HN6A | 97.8° | 179.8° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.2° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | C4 | N7 | 179.7° | 179.9° |
| C6 | C5 | C4 | C9 | 179.8° | 179.7° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C5 | C6 | N6 | HN6 | 158.1° | 179.7° |
| C5 | C6 | N6 | HN6A | 81.9° | 0.5° |
| C6 | C5 | N7 | HN7 | 0.5° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.2° |
| C2 | N3 | C4 | C9 | 179.8° | 180.0° |
| N3 | C4 | C5 | C9 | 179.9° | 179.8° |
| N3 | C4 | C5 | N7 | 179.7° | 179.7° |
| N3 | C4 | C9 | C8 | 179.7° | 179.3° |
| N3 | C4 | C9 | C10 | 1.5° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.9° | 0.2° |
| C5 | C4 | C9 | C8 | 0.2° | 0.4° |
| C5 | C4 | C9 | C10 | 178.6° | 179.7° |
| C4 | C5 | N7 | HN7 | 179.1° | 179.8° |
| N7 | C5 | C4 | C9 | 0.4° | 0.1° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | C9 | 1.0° | 0.5° |
| C5 | N7 | C8 | H8 | 178.9° | 180.0° |
| C4 | C9 | C8 | N7 | 0.7° | 0.6° |
| C4 | C9 | C8 | C10 | 178.9° | 179.3° |
| C4 | C9 | C10 | N1' | 75.8° | 80.0° |
| C4 | C9 | C8 | H8 | 179.2° | 179.9° |
| C4 | C9 | C10 | H10 | 164.2° | 160.0° |
| C4 | C9 | C10 | H10A | 43.6° | 40.1° |
| N7 | C8 | C9 | H8 | 180.0° | 179.5° |
| N7 | C8 | C9 | C10 | 178.1° | 179.9° |
| C8 | C9 | C10 | N1' | 105.6° | 99.2° |
| C9 | C8 | N7 | HN7 | 179.0° | 179.5° |
| C8 | C9 | C10 | H10 | 14.4° | 20.8° |
| C8 | C9 | C10 | H10A | 135.0° | 140.8° |
| C9 | C10 | N1' | H10 | 120.0° | 120.0° |
| C9 | C10 | N1' | H10A | 119.4° | 120.0° |
| C9 | C10 | N1' | C2' | 97.4° | 69.9° |
| C9 | C10 | N1' | C1' | 81.4° | 169.3° |
| C10 | C9 | C8 | H8 | 1.9° | 0.6° |
| C9 | C10 | H10 | H10A | 119.4° | 119.9° |
| C10 | N1' | C2' | C1' | 178.8° | 122.3° |
| C10 | N1' | C2' | C3' | 169.1° | 123.3° |
| C10 | N1' | C1' | C4' | 175.7° | 146.3° |
| N1' | C10 | H10 | H10A | 119.4° | 120.0° |
| C10 | N1' | C2' | H2' | 49.1° | 117.3° |
| C10 | N1' | C2' | H2'A | 67.9° | 3.8° |
| C10 | N1' | C1' | H1' | 64.3° | 27.5° |
| C10 | N1' | C1' | H1'A | 52.8° | 94.8° |
| N1' | C2' | C3' | H2' | 120.0° | 119.4° |
| N1' | C2' | C3' | H2'A | 123.1° | 119.4° |
| N1' | C2' | C3' | O3' | 100.1° | 140.7° |
| N1' | C2' | C3' | C4' | 13.3° | 22.3° |
| C2' | N1' | C1' | C4' | 5.5° | 24.1° |
| C2' | N1' | C10 | H10 | 142.7° | 50.1° |
| C2' | N1' | C10 | H10A | 22.0° | 170.1° |
| N1' | C2' | H2' | H2'A | 123.6° | 121.1° |
| N1' | C2' | C3' | H3' | 136.7° | 96.3° |
| C2' | N1' | C1' | H1' | 114.5° | 94.7° |
| C2' | N1' | C1' | H1'A | 128.4° | 143.0° |
| C1' | N1' | C2' | C3' | 12.1° | 1.0° |
| N1' | C1' | C4' | C3' | 4.0° | 37.1° |
| N1' | C1' | C4' | H1' | 120.0° | 118.8° |
| N1' | C1' | C4' | H1'A | 122.9° | 118.8° |
| N1' | C1' | C4' | C5' | 121.0° | 155.2° |
| C1' | N1' | C10 | H10 | 38.6° | 70.7° |
| C1' | N1' | C10 | H10A | 159.2° | 49.3° |
| C1' | N1' | C2' | H2' | 132.1° | 120.4° |
| C1' | N1' | C2' | H2'A | 110.9° | 118.5° |
| N1' | C1' | H1' | H1'A | 123.3° | 122.3° |
| N1' | C1' | C4' | H4' | 121.4° | 81.1° |
| C2' | C3' | O3' | C4' | 115.2° | 113.6° |
| C2' | C3' | O3' | H3' | 121.6° | 123.1° |
| C2' | C3' | C4' | H3' | 121.6° | 118.4° |
| C2' | C3' | C4' | C1' | 11.4° | 35.7° |
| C2' | C3' | C4' | C5' | 110.6° | 153.8° |
| C3' | C2' | H2' | H2'A | 123.5° | 121.1° |
| C2' | C3' | O3' | HO3' | 71.9° | 61.5° |
| C2' | C3' | C4' | H4' | 132.1° | 82.5° |
| O3' | C3' | C4' | H3' | 123.0° | 123.2° |
| O3' | C3' | C4' | C1' | 104.1° | 154.0° |
| O3' | C3' | C4' | C5' | 133.9° | 87.9° |
| O3' | C3' | C2' | H2' | 19.9° | 21.2° |
| O3' | C3' | C2' | H2'A | 136.8° | 99.9° |
| O3' | C3' | C4' | H4' | 16.6° | 35.9° |
| C3' | C4' | C1' | C5' | 125.0° | 118.1° |
| C3' | C4' | C1' | H4' | 117.4° | 118.2° |
| C3' | C4' | C5' | H4' | 117.2° | 123.9° |
| C3' | C4' | C5' | S6' | 42.0° | 175.0° |
| C4' | C3' | C2' | H2' | 133.3° | 97.1° |
| C4' | C3' | C2' | H2'A | 109.8° | 141.7° |
| C4' | C3' | O3' | HO3' | 43.4° | 175.0° |
| C3' | C4' | C1' | H1' | 124.0° | 81.7° |
| C3' | C4' | C1' | H1'A | 118.9° | 155.9° |
| C3' | C4' | C5' | H5' | 162.0° | 55.0° |
| C3' | C4' | C5' | H5'A | 75.8° | 65.0° |
| C1' | C4' | C5' | H4' | 120.7° | 123.8° |
| C1' | C4' | C5' | S6' | 80.1° | 72.7° |
| C1' | C4' | C3' | H3' | 132.9° | 82.8° |
| C4' | C1' | H1' | H1'A | 123.3° | 122.4° |
| C1' | C4' | C5' | H5' | 39.9° | 167.3° |
| C1' | C4' | C5' | H5'A | 162.1° | 47.3° |
| C4' | C5' | S6' | H5' | 120.0° | 120.0° |
| C4' | C5' | S6' | H5'A | 117.9° | 120.0° |
| C4' | C5' | S6' | C7' | 132.9° | 180.0° |
| C5' | C4' | C3' | H3' | 11.0° | 35.3° |
| C5' | C4' | C1' | H1' | 1.0° | 36.4° |
| C5' | C4' | C1' | H1'A | 116.1° | 86.0° |
| C4' | C5' | H5' | H5'A | 118.0° | 119.9° |
| C5' | S6' | C7' | C21 | 49.3° | 180.0° |
| S6' | C5' | C4' | H4' | 159.2° | 51.2° |
| S6' | C5' | H5' | H5'A | 118.0° | 120.0° |
| C5' | S6' | C7' | H7' | 70.8° | 60.0° |
| C5' | S6' | C7' | H7'A | 168.3° | 60.1° |
| S6' | C7' | C21 | H7' | 120.0° | 120.0° |
| S6' | C7' | C21 | H7'A | 119.1° | 119.9° |
| S6' | C7' | C21 | C26 | 21.0° | 90.0° |
| S6' | C7' | C21 | C22 | 159.2° | 90.2° |
| C7' | S6' | C5' | H5' | 107.1° | 60.0° |
| C7' | S6' | C5' | H5'A | 15.0° | 60.0° |
| S6' | C7' | H7' | H7'A | 119.1° | 120.0° |
| C7' | C21 | C26 | C22 | 179.8° | 179.7° |
| C7' | C21 | C26 | C25 | 179.4° | 179.9° |
| C7' | C21 | C22 | C23 | 179.6° | 179.8° |
| C21 | C7' | H7' | H7'A | 119.1° | 120.0° |
| C7' | C21 | C26 | H26 | 0.6° | 0.0° |
| C7' | C21 | C22 | H22 | 0.4° | 0.0° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 1.0° | 0.1° |
| C26 | C21 | C22 | C23 | 0.5° | 0.4° |
| C26 | C21 | C7' | H7' | 141.0° | 30.0° |
| C26 | C21 | C7' | H7'A | 98.1° | 150.1° |
| C21 | C26 | C25 | H25 | 179.0° | 180.0° |
| C26 | C21 | C22 | H22 | 179.4° | 179.7° |
| C22 | C21 | C26 | C25 | 0.7° | 0.2° |
| C21 | C22 | C23 | C24 | 0.7° | 0.4° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C22 | C21 | C7' | H7' | 39.2° | 149.7° |
| C22 | C21 | C7' | H7'A | 81.8° | 29.7° |
| C22 | C21 | C26 | H26 | 179.3° | 179.7° |
| C21 | C22 | C23 | H23 | 179.3° | 179.7° |
| C26 | C25 | C24 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.2° | 0.2° |
| C26 | C25 | C24 | H24 | 178.8° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 1.0° | 0.1° |
| C24 | C25 | C26 | H26 | 178.9° | 180.0° |
| C25 | C24 | C23 | H23 | 179.0° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H25 | 178.8° | 180.0° |
| C24 | C23 | C22 | H22 | 179.3° | 179.8° |
| C22 | C23 | C24 | H24 | 179.0° | 179.8° |
| HN7 | N7 | C8 | H8 | 1.0° | 0.0° |
| H2' | C2' | C3' | H3' | 103.4° | 144.3° |
| H2'A | C2' | C3' | H3' | 13.6° | 23.1° |
| H3' | C3' | O3' | HO3' | 166.5° | 61.6° |
| H3' | C3' | C4' | H4' | 106.4° | 159.1° |
| H1' | C1' | C4' | H4' | 118.6° | 160.2° |
| H1'A | C1' | C4' | H4' | 1.5° | 37.8° |
| H4' | C4' | C5' | H5' | 80.8° | 68.9° |
| H4' | C4' | C5' | H5'A | 41.4° | 171.1° |
| H26 | C26 | C25 | H25 | 1.0° | 0.1° |
| H25 | C25 | C24 | H24 | 1.2° | 0.1° |
| H24 | C24 | C23 | H23 | 1.0° | 0.2° |
| H23 | C23 | C22 | H22 | 0.7° | 0.2° |
