RO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C1 | doub | 1.33Å | 1.41Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.39Å | |
| C1 | N11 | sing | 1.33Å | 1.31Å | Aromatic |
| C12 | N11 | doub | 1.33Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | N15 | sing | 1.38Å | 1.44Å | |
| C16 | N15 | sing | 1.34Å | 1.42Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| N17 | C16 | sing | 1.35Å | 1.46Å | |
| C16 | O19 | doub | 1.22Å | 1.21Å | |
| C18 | N17 | sing | 1.47Å | 1.49Å | |
| C20 | N17 | sing | 1.40Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.45Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | CL26 | sing | 1.74Å | 1.75Å | |
| C18 | C14 | sing | 1.51Å | 1.50Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.37Å | 1.50Å | Aromatic |
| C13 | N10 | sing | 1.33Å | 1.48Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C8 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | O9 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C1 | N2 | 114.9° | 118.9° |
| N10 | C1 | N11 | 122.7° | 122.1° |
| C1 | N10 | C13 | 122.2° | 120.8° |
| N2 | C1 | N11 | 122.4° | 119.0° |
| C1 | N2 | C3 | 121.1° | 120.0° |
| C1 | N2 | HN2 | 105.8° | 120.0° |
| C1 | N11 | C12 | 118.5° | 120.3° |
| N11 | C12 | C14 | 124.7° | 118.6° |
| N11 | C12 | N15 | 114.8° | 121.6° |
| C14 | C12 | N15 | 120.5° | 119.8° |
| C12 | C14 | C18 | 123.5° | 118.2° |
| C12 | C14 | C13 | 119.9° | 119.6° |
| C12 | N15 | C16 | 122.3° | 123.1° |
| C12 | N15 | HN15 | 118.8° | 118.5° |
| C16 | N15 | HN15 | 118.9° | 118.4° |
| N15 | C16 | N17 | 116.9° | 123.2° |
| N15 | C16 | O19 | 119.7° | 118.4° |
| N17 | C16 | O19 | 123.3° | 118.4° |
| C16 | N17 | C18 | 123.0° | 119.1° |
| C16 | N17 | C20 | 121.2° | 120.5° |
| C18 | N17 | C20 | 115.8° | 120.5° |
| N17 | C18 | C14 | 113.7° | 116.7° |
| N17 | C18 | H18 | 108.1° | 108.0° |
| N17 | C18 | H18A | 107.2° | 108.0° |
| N17 | C20 | C21 | 122.8° | 120.1° |
| N17 | C20 | C25 | 117.0° | 120.1° |
| C21 | C20 | C25 | 120.2° | 119.8° |
| C20 | C21 | C22 | 118.7° | 119.9° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C20 | C25 | C24 | 120.4° | 119.9° |
| C20 | C25 | CL26 | 120.6° | 120.0° |
| C22 | C21 | H21 | 120.6° | 120.1° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C21 | C22 | H22 | 119.4° | 119.9° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C22 | C23 | C24 | 120.5° | 120.2° |
| C22 | C23 | H23 | 119.7° | 119.9° |
| C24 | C23 | H23 | 119.7° | 119.9° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C23 | C24 | H24 | 120.5° | 120.0° |
| C25 | C24 | H24 | 120.4° | 120.0° |
| C24 | C25 | CL26 | 119.0° | 120.1° |
| C14 | C18 | H18 | 108.1° | 108.0° |
| C14 | C18 | H18A | 107.1° | 108.1° |
| C18 | C14 | C13 | 116.5° | 122.2° |
| H18 | C18 | H18A | 112.8° | 107.8° |
| C14 | C13 | N10 | 112.0° | 118.6° |
| C14 | C13 | H13 | 124.0° | 120.7° |
| N10 | C13 | H13 | 124.0° | 120.6° |
| C3 | N2 | HN2 | 105.8° | 120.0° |
| N2 | C3 | C4 | 108.7° | 109.5° |
| N2 | C3 | C8 | 110.9° | 109.5° |
| N2 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | C8 | 110.6° | 109.5° |
| C4 | C3 | H3 | 109.7° | 109.5° |
| C3 | C4 | C5 | 110.3° | 109.5° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C4 | H4A | 109.0° | 109.5° |
| C8 | C3 | H3 | 107.5° | 109.5° |
| C3 | C8 | C7 | 110.1° | 109.5° |
| C3 | C8 | H8 | 109.2° | 109.5° |
| C3 | C8 | H8A | 109.1° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C5 | C4 | H4A | 109.0° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.4° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C4 | C5 | H5A | 108.6° | 109.5° |
| H4 | C4 | H4A | 110.1° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H5A | 108.6° | 109.5° |
| C5 | C6 | O9 | 110.3° | 109.4° |
| C5 | C6 | C7 | 111.5° | 109.5° |
| C5 | C6 | H6 | 107.8° | 109.5° |
| H5 | C5 | H5A | 110.7° | 109.5° |
| O9 | C6 | C7 | 110.2° | 109.5° |
| O9 | C6 | H6 | 109.1° | 109.4° |
| C6 | O9 | HO9 | 109.5° | 113.9° |
| C7 | C6 | H6 | 107.8° | 109.5° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H7A | 109.2° | 109.5° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H7A | 109.2° | 109.5° |
| C7 | C8 | H8 | 109.3° | 109.5° |
| C7 | C8 | H8A | 109.1° | 109.4° |
| H7 | C7 | H7A | 109.9° | 109.4° |
| H8 | C8 | H8A | 110.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C1 | N2 | N11 | 179.8° | 179.7° |
| N10 | C1 | N11 | C12 | 0.5° | 0.3° |
| C1 | N10 | C13 | C14 | 0.3° | 0.5° |
| C1 | N10 | C13 | H13 | 179.7° | 179.8° |
| N10 | C1 | N2 | C3 | 179.2° | 0.3° |
| N10 | C1 | N2 | HN2 | 60.8° | 179.7° |
| N2 | C1 | N11 | C12 | 179.7° | 180.0° |
| N2 | C1 | N10 | C13 | 180.0° | 179.8° |
| C1 | N2 | C3 | HN2 | 120.0° | 180.0° |
| C1 | N2 | C3 | C4 | 104.7° | 85.0° |
| C1 | N2 | C3 | C8 | 133.4° | 155.0° |
| C1 | N2 | C3 | H3 | 15.1° | 35.0° |
| C1 | N11 | C12 | C14 | 0.4° | 0.0° |
| C1 | N11 | C12 | N15 | 178.7° | 180.0° |
| N11 | C1 | N10 | C13 | 0.2° | 0.6° |
| N11 | C1 | N2 | C3 | 0.6° | 180.0° |
| N11 | C1 | N2 | HN2 | 119.4° | 0.0° |
| N11 | C12 | C14 | N15 | 179.1° | 180.0° |
| N11 | C12 | N15 | C16 | 178.3° | 180.0° |
| N11 | C12 | N15 | HN15 | 1.7° | 0.0° |
| N11 | C12 | C14 | C18 | 178.8° | 180.0° |
| N11 | C12 | C14 | C13 | 0.1° | 0.0° |
| C14 | C12 | N15 | C16 | 0.9° | 0.0° |
| C14 | C12 | N15 | HN15 | 179.2° | 180.0° |
| C12 | C14 | C18 | N17 | 0.7° | 0.1° |
| C12 | C14 | C18 | C13 | 178.9° | 180.0° |
| C12 | C14 | C18 | H18 | 120.7° | 121.8° |
| C12 | C14 | C18 | H18A | 117.5° | 121.8° |
| C12 | C14 | C13 | N10 | 0.4° | 0.2° |
| C12 | C14 | C13 | H13 | 179.6° | 179.9° |
| C12 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C12 | N15 | C16 | N17 | 0.3° | 0.0° |
| C12 | N15 | C16 | O19 | 178.5° | 180.0° |
| N15 | C12 | C14 | C18 | 0.3° | 0.0° |
| N15 | C12 | C14 | C13 | 179.2° | 180.0° |
| N15 | C16 | N17 | O19 | 178.7° | 180.0° |
| N15 | C16 | N17 | C18 | 0.8° | 0.0° |
| N15 | C16 | N17 | C20 | 177.6° | 180.0° |
| HN15 | N15 | C16 | N17 | 179.7° | 180.0° |
| HN15 | N15 | C16 | O19 | 1.5° | 0.0° |
| C16 | N17 | C18 | C20 | 178.4° | 179.9° |
| C16 | N17 | C20 | C21 | 82.4° | 90.2° |
| C16 | N17 | C20 | C25 | 97.6° | 90.0° |
| C16 | N17 | C18 | C14 | 1.2° | 0.1° |
| C16 | N17 | C18 | H18 | 121.2° | 121.8° |
| C16 | N17 | C18 | H18A | 116.9° | 121.8° |
| O19 | C16 | N17 | C18 | 179.5° | 180.0° |
| O19 | C16 | N17 | C20 | 1.1° | 0.1° |
| C18 | N17 | C20 | C21 | 99.2° | 89.7° |
| C18 | N17 | C20 | C25 | 80.9° | 90.1° |
| N17 | C18 | C14 | H18 | 120.0° | 121.8° |
| N17 | C18 | C14 | H18A | 118.2° | 121.9° |
| N17 | C18 | H18 | H18A | 118.3° | 116.5° |
| N17 | C18 | C14 | C13 | 178.2° | 180.0° |
| N17 | C20 | C21 | C25 | 179.9° | 179.8° |
| N17 | C20 | C21 | C22 | 179.8° | 180.0° |
| N17 | C20 | C21 | H21 | 0.2° | 0.0° |
| N17 | C20 | C25 | C24 | 179.9° | 179.7° |
| N17 | C20 | C25 | CL26 | 0.1° | 0.1° |
| C20 | N17 | C18 | C14 | 177.2° | 180.0° |
| C20 | N17 | C18 | H18 | 57.2° | 58.2° |
| C20 | N17 | C18 | H18A | 64.6° | 58.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.5° |
| C21 | C20 | C25 | CL26 | 179.9° | 179.7° |
| C25 | C20 | C21 | C22 | 0.2° | 0.2° |
| C25 | C20 | C21 | H21 | 179.8° | 179.8° |
| C20 | C25 | C24 | C23 | 0.1° | 0.5° |
| C20 | C25 | C24 | CL26 | 180.0° | 179.8° |
| C20 | C25 | C24 | H24 | 179.9° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 179.7° | 179.9° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | CL26 | 180.0° | 179.7° |
| H23 | C23 | C24 | C25 | 179.9° | 179.7° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H24 | C24 | C25 | CL26 | 0.1° | 0.1° |
| C14 | C18 | H18 | H18A | 118.3° | 116.5° |
| C18 | C14 | C13 | N10 | 178.5° | 179.7° |
| C18 | C14 | C13 | H13 | 1.5° | 0.0° |
| H18 | C18 | C14 | C13 | 58.2° | 58.2° |
| H18A | C18 | C14 | C13 | 63.6° | 58.2° |
| C14 | C13 | N10 | H13 | 180.0° | 179.7° |
| N2 | C3 | C4 | C8 | 122.0° | 120.0° |
| N2 | C3 | C4 | H3 | 119.7° | 120.0° |
| N2 | C3 | C8 | H3 | 119.6° | 120.0° |
| N2 | C3 | C4 | C5 | 179.9° | 180.0° |
| N2 | C3 | C4 | H4 | 60.1° | 60.0° |
| N2 | C3 | C4 | H4A | 60.2° | 60.0° |
| N2 | C3 | C8 | C7 | 179.3° | 180.0° |
| N2 | C3 | C8 | H8 | 60.7° | 60.0° |
| N2 | C3 | C8 | H8A | 59.6° | 60.0° |
| HN2 | N2 | C3 | C4 | 135.2° | 95.0° |
| HN2 | N2 | C3 | C8 | 13.4° | 25.0° |
| HN2 | N2 | C3 | H3 | 105.0° | 145.0° |
| C4 | C3 | C8 | H3 | 119.7° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 119.7° | 120.0° |
| C3 | C4 | H4 | H4A | 119.7° | 120.0° |
| C3 | C4 | C5 | C6 | 56.8° | 60.0° |
| C3 | C4 | C5 | H5 | 176.8° | 180.0° |
| C3 | C4 | C5 | H5A | 62.5° | 60.0° |
| C4 | C3 | C8 | C7 | 58.6° | 60.0° |
| C4 | C3 | C8 | H8 | 178.6° | 180.0° |
| C4 | C3 | C8 | H8A | 61.2° | 60.0° |
| C8 | C3 | C4 | C5 | 58.1° | 60.0° |
| C8 | C3 | C4 | H4 | 61.9° | 59.9° |
| C8 | C3 | C4 | H4A | 177.8° | 180.0° |
| C3 | C8 | C7 | C6 | 57.0° | 60.0° |
| C3 | C8 | C7 | H8 | 120.0° | 120.0° |
| C3 | C8 | C7 | H8A | 119.7° | 120.1° |
| C3 | C8 | C7 | H7 | 177.0° | 179.9° |
| C3 | C8 | C7 | H7A | 62.8° | 60.0° |
| C3 | C8 | H8 | H8A | 119.7° | 120.1° |
| H3 | C3 | C4 | C5 | 60.2° | 60.0° |
| H3 | C3 | C4 | H4 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4A | 59.4° | 60.0° |
| H3 | C3 | C8 | C7 | 61.1° | 60.0° |
| H3 | C3 | C8 | H8 | 58.9° | 60.0° |
| H3 | C3 | C8 | H8A | 179.1° | 180.0° |
| C5 | C4 | H4 | H4A | 119.7° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 119.3° | 120.0° |
| C4 | C5 | H5 | H5A | 119.4° | 120.0° |
| C4 | C5 | C6 | O9 | 179.1° | 180.0° |
| C4 | C5 | C6 | C7 | 56.3° | 60.0° |
| C4 | C5 | C6 | H6 | 61.9° | 60.1° |
| H4 | C4 | C5 | C6 | 63.2° | 60.0° |
| H4 | C4 | C5 | H5 | 56.8° | 60.0° |
| H4 | C4 | C5 | H5A | 177.5° | 179.9° |
| H4A | C4 | C5 | C6 | 176.5° | 180.0° |
| H4A | C4 | C5 | H5 | 63.5° | 60.0° |
| H4A | C4 | C5 | H5A | 57.1° | 60.0° |
| C6 | C5 | H5 | H5A | 119.3° | 120.0° |
| C5 | C6 | O9 | C7 | 123.5° | 120.0° |
| C5 | C6 | O9 | H6 | 118.2° | 120.0° |
| C5 | C6 | C7 | H6 | 118.1° | 120.1° |
| C5 | C6 | O9 | HO9 | 62.4° | 180.0° |
| C5 | C6 | C7 | C8 | 56.2° | 60.0° |
| C5 | C6 | C7 | H7 | 176.2° | 179.9° |
| C5 | C6 | C7 | H7A | 63.6° | 60.0° |
| H5 | C5 | C6 | O9 | 60.9° | 60.0° |
| H5 | C5 | C6 | C7 | 176.3° | 180.0° |
| H5 | C5 | C6 | H6 | 58.1° | 59.9° |
| H5A | C5 | C6 | O9 | 59.8° | 60.0° |
| H5A | C5 | C6 | C7 | 63.1° | 59.9° |
| H5A | C5 | C6 | H6 | 178.8° | 180.0° |
| O9 | C6 | C7 | H6 | 119.0° | 120.0° |
| O9 | C6 | C7 | C8 | 179.1° | 180.0° |
| O9 | C6 | C7 | H7 | 60.9° | 60.0° |
| O9 | C6 | C7 | H7A | 59.3° | 60.0° |
| C7 | C6 | O9 | HO9 | 174.1° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 119.8° | 120.1° |
| C6 | C7 | H7 | H7A | 119.8° | 120.0° |
| C6 | C7 | C8 | H8 | 177.0° | 179.9° |
| C6 | C7 | C8 | H8A | 62.8° | 60.0° |
| H6 | C6 | O9 | HO9 | 55.9° | 60.0° |
| H6 | C6 | C7 | C8 | 61.9° | 60.0° |
| H6 | C6 | C7 | H7 | 58.1° | 60.0° |
| H6 | C6 | C7 | H7A | 178.3° | 179.9° |
| C8 | C7 | H7 | H7A | 119.8° | 120.0° |
| C7 | C8 | H8 | H8A | 119.7° | 119.9° |
| H7 | C7 | C8 | H8 | 63.0° | 59.9° |
| H7 | C7 | C8 | H8A | 57.2° | 60.0° |
| H7A | C7 | C8 | H8 | 57.2° | 60.0° |
| H7A | C7 | C8 | H8A | 177.4° | 179.9° |
