N9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C12 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | N27 | sing | 1.46Å | 1.46Å | |
| C25 | C41 | sing | 1.53Å | 1.54Å | |
| O30 | C29 | doub | 1.21Å | 1.22Å | |
| N27 | C29 | sing | 1.35Å | 1.35Å | |
| O46 | C44 | doub | 1.21Å | 1.32Å | |
| C29 | C31 | sing | 1.51Å | 1.50Å | |
| C41 | C44 | sing | 1.51Å | 1.50Å | |
| C31 | C34 | sing | 1.53Å | 1.55Å | |
| C44 | O45 | sing | 1.34Å | 1.21Å | |
| O39 | C37 | doub | 1.21Å | 1.34Å | |
| C34 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | O38 | sing | 1.34Å | 1.21Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| N27 | H14 | sing | 0.97Å | 1.00Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| O38 | H19 | sing | 0.97Å | 0.95Å | |
| O45 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C6 | 120.8° | 120.2° |
| C8 | C10 | C2 | 119.3° | 120.2° |
| C10 | C8 | H12 | 119.6° | 119.9° |
| C8 | C10 | H13 | 120.4° | 119.9° |
| C8 | C6 | C5 | 120.2° | 119.9° |
| C8 | C6 | H11 | 119.9° | 120.1° |
| C6 | C8 | H12 | 119.6° | 120.0° |
| C10 | C2 | CL1 | 119.8° | 120.0° |
| C10 | C2 | C3 | 120.8° | 120.1° |
| C2 | C10 | H13 | 120.4° | 119.9° |
| C6 | C5 | C3 | 118.6° | 119.8° |
| C6 | C5 | C12 | 121.8° | 120.1° |
| C5 | C6 | H11 | 119.9° | 120.0° |
| CL1 | C2 | C3 | 119.4° | 120.0° |
| C2 | C3 | C5 | 120.3° | 119.9° |
| C2 | C3 | H1 | 119.8° | 120.0° |
| C3 | C5 | C12 | 119.6° | 120.1° |
| C5 | C3 | H1 | 119.8° | 120.0° |
| C5 | C12 | C13 | 118.7° | 120.1° |
| C5 | C12 | C20 | 122.3° | 120.1° |
| C13 | C12 | C20 | 119.0° | 119.7° |
| C12 | C13 | C15 | 120.4° | 119.9° |
| C12 | C13 | H4 | 119.8° | 120.0° |
| C12 | C20 | C18 | 121.4° | 119.9° |
| C12 | C20 | H7 | 119.3° | 120.1° |
| C13 | C15 | C17 | 120.1° | 120.1° |
| C15 | C13 | H4 | 119.8° | 120.1° |
| C13 | C15 | H5 | 119.9° | 120.0° |
| C20 | C18 | C17 | 118.7° | 120.1° |
| C20 | C18 | H6 | 120.6° | 119.9° |
| C18 | C20 | H7 | 119.3° | 120.0° |
| C15 | C17 | C18 | 120.4° | 120.3° |
| C15 | C17 | C22 | 118.2° | 119.8° |
| C17 | C15 | H5 | 120.0° | 120.0° |
| C18 | C17 | C22 | 121.5° | 119.9° |
| C17 | C18 | H6 | 120.6° | 120.0° |
| C17 | C22 | C25 | 104.8° | 109.5° |
| C17 | C22 | H8 | 110.7° | 109.5° |
| C17 | C22 | H9 | 110.6° | 109.5° |
| C22 | C25 | N27 | 109.5° | 109.5° |
| C22 | C25 | C41 | 113.4° | 109.5° |
| C25 | C22 | H8 | 110.6° | 109.5° |
| C25 | C22 | H9 | 110.6° | 109.5° |
| C22 | C25 | H10 | 107.8° | 109.4° |
| N27 | C25 | C41 | 109.4° | 109.5° |
| C25 | N27 | C29 | 122.5° | 120.0° |
| N27 | C25 | H10 | 108.8° | 109.4° |
| C25 | N27 | H14 | 118.7° | 120.0° |
| C25 | C41 | C44 | 108.5° | 109.5° |
| C25 | C41 | H2 | 109.7° | 109.5° |
| C25 | C41 | H3 | 109.7° | 109.5° |
| C41 | C25 | H10 | 107.8° | 109.5° |
| O30 | C29 | N27 | 124.3° | 119.9° |
| O30 | C29 | C31 | 118.8° | 120.1° |
| N27 | C29 | C31 | 116.8° | 120.0° |
| C29 | N27 | H14 | 118.7° | 120.0° |
| O46 | C44 | C41 | 114.7° | 120.0° |
| O46 | C44 | O45 | 121.8° | 120.0° |
| C29 | C31 | C34 | 111.3° | 109.5° |
| C29 | C31 | H15 | 109.0° | 109.5° |
| C29 | C31 | H16 | 109.0° | 109.5° |
| C41 | C44 | O45 | 123.5° | 120.0° |
| C44 | C41 | H2 | 109.7° | 109.5° |
| C44 | C41 | H3 | 109.7° | 109.5° |
| C31 | C34 | C37 | 114.3° | 109.5° |
| C34 | C31 | H15 | 109.0° | 109.4° |
| C34 | C31 | H16 | 109.0° | 109.5° |
| C31 | C34 | H17 | 108.2° | 109.5° |
| C31 | C34 | H18 | 108.2° | 109.4° |
| C44 | O45 | H20 | 109.5° | 117.0° |
| O39 | C37 | C34 | 117.6° | 120.0° |
| O39 | C37 | O38 | 121.6° | 120.0° |
| C34 | C37 | O38 | 120.8° | 120.0° |
| C37 | C34 | H17 | 108.3° | 109.5° |
| C37 | C34 | H18 | 108.3° | 109.5° |
| C37 | O38 | H19 | 109.5° | 117.0° |
| H2 | C41 | H3 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C6 | H12 | 180.0° | 179.5° |
| C8 | C10 | C2 | H13 | 180.0° | 179.4° |
| C10 | C8 | C6 | C5 | 1.4° | 0.3° |
| C8 | C10 | C2 | CL1 | 179.6° | 179.8° |
| C8 | C10 | C2 | C3 | 0.8° | 0.6° |
| C10 | C8 | C6 | H11 | 178.6° | 179.7° |
| C6 | C8 | C10 | C2 | 1.0° | 0.6° |
| C8 | C6 | C5 | H11 | 180.0° | 180.0° |
| C8 | C6 | C5 | C3 | 1.6° | 0.0° |
| C8 | C6 | C5 | C12 | 179.6° | 180.0° |
| C6 | C8 | C10 | H13 | 179.0° | 180.0° |
| C10 | C2 | CL1 | C3 | 179.6° | 179.7° |
| C10 | C2 | C3 | C5 | 1.1° | 0.3° |
| C10 | C2 | C3 | H1 | 178.9° | 179.6° |
| C2 | C10 | C8 | H12 | 179.0° | 180.0° |
| C6 | C5 | C3 | C2 | 1.5° | 0.0° |
| C6 | C5 | C3 | C12 | 178.1° | 180.0° |
| C6 | C5 | C12 | C13 | 41.9° | 0.0° |
| C6 | C5 | C12 | C20 | 140.1° | 179.7° |
| C6 | C5 | C3 | H1 | 178.5° | 179.9° |
| C5 | C6 | C8 | H12 | 178.6° | 179.7° |
| CL1 | C2 | C3 | C5 | 179.3° | 180.0° |
| CL1 | C2 | C3 | H1 | 0.7° | 0.0° |
| CL1 | C2 | C10 | H13 | 0.4° | 0.3° |
| C2 | C3 | C5 | H1 | 180.0° | 179.9° |
| C2 | C3 | C5 | C12 | 179.5° | 180.0° |
| C3 | C2 | C10 | H13 | 179.1° | 180.0° |
| C3 | C5 | C12 | C13 | 136.1° | 180.0° |
| C3 | C5 | C12 | C20 | 41.9° | 0.3° |
| C3 | C5 | C6 | H11 | 178.4° | 180.0° |
| C5 | C12 | C13 | C20 | 178.1° | 179.7° |
| C5 | C12 | C13 | C15 | 179.2° | 179.7° |
| C5 | C12 | C20 | C18 | 179.8° | 179.8° |
| C12 | C5 | C3 | H1 | 0.4° | 0.1° |
| C5 | C12 | C13 | H4 | 0.8° | 0.3° |
| C5 | C12 | C20 | H7 | 0.2° | 0.3° |
| C12 | C5 | C6 | H11 | 0.4° | 0.0° |
| C12 | C13 | C15 | H4 | 180.0° | 180.0° |
| C13 | C12 | C20 | C18 | 1.9° | 0.1° |
| C12 | C13 | C15 | C17 | 0.1° | 0.0° |
| C12 | C13 | C15 | H5 | 179.9° | 180.0° |
| C13 | C12 | C20 | H7 | 178.1° | 180.0° |
| C20 | C12 | C13 | C15 | 1.2° | 0.0° |
| C12 | C20 | C18 | H7 | 180.0° | 180.0° |
| C12 | C20 | C18 | C17 | 1.3° | 0.1° |
| C20 | C12 | C13 | H4 | 178.8° | 180.0° |
| C12 | C20 | C18 | H6 | 178.7° | 179.9° |
| C13 | C15 | C17 | H5 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.7° | 0.0° |
| C13 | C15 | C17 | C22 | 179.0° | 179.9° |
| C20 | C18 | C17 | C15 | 0.0° | 0.1° |
| C20 | C18 | C17 | H6 | 180.0° | 180.0° |
| C20 | C18 | C17 | C22 | 178.3° | 180.0° |
| C15 | C17 | C18 | C22 | 178.2° | 179.9° |
| C15 | C17 | C22 | C25 | 96.9° | 90.1° |
| C17 | C15 | C13 | H4 | 179.9° | 180.0° |
| C15 | C17 | C18 | H6 | 180.0° | 180.0° |
| C15 | C17 | C22 | H8 | 22.3° | 150.0° |
| C15 | C17 | C22 | H9 | 143.8° | 30.0° |
| C18 | C17 | C22 | C25 | 81.3° | 90.0° |
| C18 | C17 | C15 | H5 | 179.3° | 180.0° |
| C17 | C18 | C20 | H7 | 178.7° | 180.0° |
| C18 | C17 | C22 | H8 | 159.4° | 30.0° |
| C18 | C17 | C22 | H9 | 37.9° | 149.9° |
| C17 | C22 | C25 | H8 | 119.3° | 120.0° |
| C17 | C22 | C25 | H9 | 119.2° | 120.0° |
| C17 | C22 | C25 | N27 | 82.7° | 64.9° |
| C17 | C22 | C25 | C41 | 154.8° | 175.0° |
| C22 | C17 | C15 | H5 | 1.0° | 0.1° |
| C22 | C17 | C18 | H6 | 1.8° | 0.0° |
| C17 | C22 | H8 | H9 | 122.2° | 120.0° |
| C17 | C22 | C25 | H10 | 35.5° | 55.0° |
| C22 | C25 | N27 | C41 | 124.8° | 120.1° |
| C22 | C25 | N27 | H10 | 117.6° | 119.9° |
| C22 | C25 | C41 | H10 | 119.2° | 120.0° |
| C22 | C25 | N27 | C29 | 110.3° | 113.8° |
| C22 | C25 | C41 | C44 | 104.6° | 174.3° |
| C22 | C25 | C41 | H2 | 135.5° | 54.3° |
| C22 | C25 | C41 | H3 | 15.2° | 65.7° |
| C25 | C22 | H8 | H9 | 122.1° | 120.0° |
| C22 | C25 | N27 | H14 | 69.7° | 66.2° |
| N27 | C25 | C41 | H10 | 118.2° | 120.0° |
| C25 | N27 | C29 | O30 | 2.3° | 5.1° |
| C25 | N27 | C29 | H14 | 180.0° | 180.0° |
| C25 | N27 | C29 | C31 | 178.9° | 174.9° |
| N27 | C25 | C41 | C44 | 132.8° | 65.6° |
| N27 | C25 | C41 | H2 | 13.0° | 174.4° |
| N27 | C25 | C41 | H3 | 107.3° | 54.4° |
| N27 | C25 | C22 | H8 | 36.6° | 55.0° |
| N27 | C25 | C22 | H9 | 158.0° | 175.0° |
| C41 | C25 | N27 | C29 | 124.9° | 126.2° |
| C25 | C41 | C44 | O46 | 102.3° | 5.8° |
| C25 | C41 | C44 | H2 | 119.9° | 120.0° |
| C25 | C41 | C44 | H3 | 119.9° | 120.0° |
| C25 | C41 | C44 | O45 | 76.3° | 174.2° |
| C25 | C41 | H2 | H3 | 120.4° | 120.0° |
| C41 | C25 | C22 | H8 | 85.9° | 65.0° |
| C41 | C25 | C22 | H9 | 35.5° | 55.0° |
| C41 | C25 | N27 | H14 | 55.1° | 53.9° |
| O30 | C29 | N27 | C31 | 178.8° | 180.0° |
| O30 | C29 | C31 | C34 | 65.5° | 0.0° |
| O30 | C29 | N27 | H14 | 177.7° | 174.9° |
| O30 | C29 | C31 | H15 | 54.8° | 120.0° |
| O30 | C29 | C31 | H16 | 174.3° | 120.0° |
| N27 | C29 | C31 | C34 | 115.7° | 180.0° |
| C29 | N27 | C25 | H10 | 7.3° | 6.2° |
| N27 | C29 | C31 | H15 | 124.1° | 60.1° |
| N27 | C29 | C31 | H16 | 4.6° | 60.0° |
| O46 | C44 | C41 | O45 | 178.6° | 180.0° |
| O46 | C44 | C41 | H2 | 137.8° | 114.2° |
| O46 | C44 | C41 | H3 | 17.6° | 125.8° |
| O46 | C44 | O45 | H20 | 0.0° | 0.0° |
| C29 | C31 | C34 | H15 | 120.3° | 120.0° |
| C29 | C31 | C34 | H16 | 120.3° | 120.0° |
| C29 | C31 | C34 | C37 | 176.9° | 180.0° |
| C31 | C29 | N27 | H14 | 1.1° | 5.1° |
| C29 | C31 | H15 | H16 | 119.2° | 120.1° |
| C29 | C31 | C34 | H17 | 56.1° | 60.0° |
| C29 | C31 | C34 | H18 | 62.4° | 60.0° |
| C44 | C41 | H2 | H3 | 120.4° | 120.0° |
| C44 | C41 | C25 | H10 | 14.6° | 54.3° |
| C41 | C44 | O45 | H20 | 178.5° | 180.0° |
| C31 | C34 | C37 | O39 | 4.8° | 0.0° |
| C31 | C34 | C37 | H17 | 120.7° | 120.0° |
| C31 | C34 | C37 | H18 | 120.7° | 119.9° |
| C31 | C34 | C37 | O38 | 175.7° | 180.0° |
| C34 | C31 | H15 | H16 | 119.2° | 119.9° |
| C31 | C34 | H17 | H18 | 117.8° | 120.0° |
| O45 | C44 | C41 | H2 | 43.6° | 65.8° |
| O45 | C44 | C41 | H3 | 163.8° | 54.2° |
| O39 | C37 | C34 | O38 | 179.5° | 180.0° |
| O39 | C37 | C34 | H17 | 125.5° | 120.0° |
| O39 | C37 | C34 | H18 | 116.0° | 120.0° |
| O39 | C37 | O38 | H19 | 0.0° | 0.0° |
| C37 | C34 | C31 | H15 | 62.9° | 59.9° |
| C37 | C34 | C31 | H16 | 56.6° | 60.0° |
| C37 | C34 | H17 | H18 | 117.8° | 120.0° |
| C34 | C37 | O38 | H19 | 179.5° | 180.0° |
| O38 | C37 | C34 | H17 | 55.0° | 60.0° |
| O38 | C37 | C34 | H18 | 63.5° | 60.1° |
| H2 | C41 | C25 | H10 | 105.3° | 65.7° |
| H3 | C41 | C25 | H10 | 134.5° | 174.3° |
| H4 | C13 | C15 | H5 | 0.1° | 0.0° |
| H6 | C18 | C20 | H7 | 1.3° | 0.0° |
| H8 | C22 | C25 | H10 | 154.8° | 175.0° |
| H9 | C22 | C25 | H10 | 83.7° | 65.0° |
| H10 | C25 | N27 | H14 | 172.7° | 173.9° |
| H11 | C6 | C8 | H12 | 1.4° | 0.2° |
| H12 | C8 | C10 | H13 | 1.0° | 0.5° |
| H15 | C31 | C34 | H17 | 176.4° | 180.0° |
| H15 | C31 | C34 | H18 | 57.9° | 60.0° |
| H16 | C31 | C34 | H17 | 64.1° | 60.0° |
| H16 | C31 | C34 | H18 | 177.3° | 180.0° |
