AZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N4 | sing | 1.47Å | 1.48Å | |
| O2 | C3 | doub | 1.21Å | 1.25Å | |
| N4 | C15 | sing | 1.46Å | 1.47Å | |
| N4 | C4 | sing | 1.37Å | 1.36Å | |
| C3 | C2 | sing | 1.51Å | 1.41Å | |
| C3 | N1 | sing | 1.35Å | 1.47Å | |
| C11 | C2 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.68Å | |
| C2 | C1 | sing | 1.51Å | 1.37Å | |
| C4 | N1 | sing | 1.38Å | 1.42Å | |
| C4 | N2 | doub | 1.31Å | 1.39Å | |
| N1 | N3 | sing | 1.40Å | 1.43Å | |
| C1 | N3 | sing | 1.35Å | 1.43Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| N3 | C10 | sing | 1.41Å | 1.49Å | |
| N2 | C5 | sing | 1.37Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.26Å | |
| C10 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.46Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.45Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.46Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C16 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N4 | C15 | 115.2° | 120.0° |
| C14 | N4 | C4 | 125.5° | 120.0° |
| N4 | C14 | H12 | 109.5° | 109.5° |
| N4 | C14 | H13 | 109.5° | 109.5° |
| N4 | C14 | H14 | 109.5° | 109.5° |
| O2 | C3 | C2 | 134.2° | 126.7° |
| O2 | C3 | N1 | 120.7° | 126.7° |
| C15 | N4 | C4 | 119.3° | 120.0° |
| N4 | C15 | H15 | 109.5° | 109.5° |
| N4 | C15 | H16 | 109.5° | 109.5° |
| N4 | C15 | H17 | 109.4° | 109.5° |
| N4 | C4 | N1 | 122.2° | 119.1° |
| N4 | C4 | N2 | 119.6° | 119.1° |
| C2 | C3 | N1 | 105.1° | 106.7° |
| C3 | C2 | C11 | 123.6° | 110.6° |
| C3 | C2 | C1 | 114.0° | 104.0° |
| C3 | C2 | H1 | 90.1° | 110.6° |
| C3 | N1 | C4 | 138.3° | 129.4° |
| C3 | N1 | N3 | 105.2° | 111.2° |
| C2 | C11 | C12 | 103.8° | 109.5° |
| C11 | C2 | C1 | 122.3° | 110.5° |
| C11 | C2 | H1 | 90.1° | 110.4° |
| C2 | C11 | H5 | 110.9° | 109.5° |
| C2 | C11 | H6 | 110.8° | 109.5° |
| C11 | C12 | C13 | 104.9° | 109.5° |
| C12 | C11 | H5 | 110.9° | 109.5° |
| C12 | C11 | H6 | 110.9° | 109.5° |
| C11 | C12 | H7 | 110.6° | 109.4° |
| C11 | C12 | H8 | 110.6° | 109.5° |
| C2 | C1 | N3 | 104.6° | 106.5° |
| C2 | C1 | O1 | 133.5° | 126.7° |
| C1 | C2 | H1 | 90.1° | 110.5° |
| N1 | C4 | N2 | 117.8° | 121.9° |
| C4 | N1 | N3 | 116.5° | 119.4° |
| C4 | N2 | C5 | 123.1° | 121.5° |
| N1 | N3 | C1 | 111.0° | 111.6° |
| N1 | N3 | C10 | 115.1° | 118.3° |
| N3 | C1 | O1 | 121.9° | 126.8° |
| C1 | N3 | C10 | 119.3° | 130.1° |
| N3 | C10 | C5 | 115.3° | 119.1° |
| N3 | C10 | C9 | 127.3° | 120.7° |
| N2 | C5 | C10 | 117.8° | 119.8° |
| N2 | C5 | C6 | 120.2° | 120.7° |
| C13 | C12 | H7 | 110.6° | 109.5° |
| C13 | C12 | H8 | 110.6° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C5 | C10 | C9 | 117.4° | 120.2° |
| C10 | C5 | C6 | 120.5° | 119.5° |
| C10 | C9 | C8 | 122.9° | 119.8° |
| C10 | C9 | H4 | 118.5° | 120.1° |
| C5 | C6 | C7 | 121.3° | 119.7° |
| C5 | C6 | H2 | 119.3° | 120.1° |
| C6 | C7 | C8 | 121.8° | 120.5° |
| C7 | C6 | H2 | 119.3° | 120.1° |
| C6 | C7 | H3 | 119.1° | 119.7° |
| C9 | C8 | C7 | 115.9° | 120.3° |
| C9 | C8 | C16 | 120.4° | 119.8° |
| C8 | C9 | H4 | 118.5° | 120.1° |
| C7 | C8 | C16 | 123.7° | 119.9° |
| C8 | C7 | H3 | 119.1° | 119.8° |
| C8 | C16 | H18 | 109.5° | 109.4° |
| C8 | C16 | H19 | 109.5° | 109.5° |
| C8 | C16 | H20 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H11 | 109.4° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.4° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N4 | C15 | C4 | 178.5° | 180.0° |
| C14 | N4 | C4 | N1 | 34.9° | 90.2° |
| C14 | N4 | C4 | N2 | 138.4° | 89.8° |
| N4 | C14 | H12 | H13 | 120.0° | 120.0° |
| N4 | C14 | H12 | H14 | 120.0° | 120.0° |
| N4 | C14 | H13 | H14 | 120.0° | 120.0° |
| C14 | N4 | C15 | H15 | 180.0° | 120.0° |
| C14 | N4 | C15 | H16 | 60.0° | 0.0° |
| C14 | N4 | C15 | H17 | 60.0° | 120.0° |
| O2 | C3 | C2 | N1 | 180.0° | 179.9° |
| O2 | C3 | C2 | C11 | 0.0° | 61.4° |
| O2 | C3 | C2 | C1 | 179.7° | 180.0° |
| O2 | C3 | N1 | C4 | 1.1° | 0.0° |
| O2 | C3 | N1 | N3 | 179.8° | 180.0° |
| O2 | C3 | C2 | H1 | 90.2° | 61.3° |
| C15 | N4 | C4 | N1 | 146.8° | 89.8° |
| C15 | N4 | C4 | N2 | 39.9° | 90.2° |
| C15 | N4 | C14 | H12 | 180.0° | 94.6° |
| C15 | N4 | C14 | H13 | 60.0° | 145.4° |
| C15 | N4 | C14 | H14 | 60.0° | 25.4° |
| N4 | C15 | H15 | H16 | 120.0° | 120.0° |
| N4 | C15 | H15 | H17 | 120.0° | 120.0° |
| N4 | C15 | H16 | H17 | 120.0° | 120.0° |
| N4 | C4 | N1 | C3 | 23.1° | 0.1° |
| N4 | C4 | N1 | N2 | 173.5° | 180.0° |
| N4 | C4 | N1 | N3 | 155.9° | 180.0° |
| N4 | C4 | N2 | C5 | 177.7° | 180.0° |
| C4 | N4 | C14 | H12 | 1.6° | 85.4° |
| C4 | N4 | C14 | H13 | 121.6° | 34.6° |
| C4 | N4 | C14 | H14 | 118.3° | 154.6° |
| C4 | N4 | C15 | H15 | 1.6° | 60.0° |
| C4 | N4 | C15 | H16 | 118.5° | 180.0° |
| C4 | N4 | C15 | H17 | 121.5° | 60.0° |
| C3 | C2 | C11 | C1 | 179.7° | 114.7° |
| C3 | C2 | C11 | H1 | 90.1° | 122.7° |
| C3 | C2 | C11 | C12 | 105.1° | 70.3° |
| C3 | C2 | C1 | H1 | 90.1° | 118.7° |
| C2 | C3 | N1 | C4 | 178.9° | 179.9° |
| C2 | C3 | N1 | N3 | 0.2° | 0.0° |
| C3 | C2 | C1 | N3 | 0.7° | 0.0° |
| C3 | C2 | C1 | O1 | 179.8° | 179.8° |
| C3 | C2 | C11 | H5 | 13.9° | 49.7° |
| C3 | C2 | C11 | H6 | 135.8° | 169.6° |
| N1 | C3 | C2 | C11 | 180.0° | 118.7° |
| N1 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | N1 | C4 | N3 | 179.0° | 179.9° |
| C3 | N1 | C4 | N2 | 163.4° | 179.9° |
| C3 | N1 | N3 | C1 | 0.6° | 0.0° |
| C3 | N1 | N3 | C10 | 138.7° | 179.9° |
| N1 | C3 | C2 | H1 | 89.9° | 118.7° |
| C2 | C11 | C12 | H5 | 119.1° | 120.0° |
| C2 | C11 | C12 | H6 | 119.0° | 120.1° |
| C11 | C2 | C1 | H1 | 90.1° | 122.5° |
| C11 | C2 | C1 | N3 | 179.6° | 118.8° |
| C11 | C2 | C1 | O1 | 0.1° | 61.5° |
| C2 | C11 | C12 | C13 | 129.3° | 180.0° |
| C2 | C11 | H5 | H6 | 122.6° | 120.0° |
| C2 | C11 | C12 | H7 | 10.0° | 60.0° |
| C2 | C11 | C12 | H8 | 111.5° | 59.9° |
| C12 | C11 | C2 | C1 | 75.2° | 175.0° |
| C11 | C12 | C13 | H7 | 119.3° | 120.0° |
| C11 | C12 | C13 | H8 | 119.3° | 120.0° |
| C12 | C11 | C2 | H1 | 15.0° | 52.4° |
| C12 | C11 | H5 | H6 | 122.7° | 120.0° |
| C11 | C12 | H7 | H8 | 122.1° | 119.9° |
| C11 | C12 | C13 | H9 | 180.0° | 60.0° |
| C11 | C12 | C13 | H10 | 60.0° | 60.0° |
| C11 | C12 | C13 | H11 | 60.0° | 180.0° |
| C2 | C1 | N3 | N1 | 0.8° | 0.0° |
| C2 | C1 | N3 | O1 | 179.6° | 179.8° |
| C2 | C1 | N3 | C10 | 136.6° | 179.9° |
| C1 | C2 | C11 | H5 | 165.8° | 65.0° |
| C1 | C2 | C11 | H6 | 43.9° | 55.0° |
| C4 | N1 | N3 | C1 | 178.7° | 179.9° |
| C4 | N1 | N3 | C10 | 42.0° | 0.0° |
| N1 | C4 | N2 | C5 | 8.7° | 0.0° |
| N2 | C4 | N1 | N3 | 17.6° | 0.0° |
| C4 | N2 | C5 | C10 | 9.3° | 0.0° |
| C4 | N2 | C5 | C6 | 156.7° | 179.9° |
| N1 | N3 | C1 | C10 | 137.4° | 179.9° |
| N1 | N3 | C1 | O1 | 179.6° | 179.8° |
| N1 | N3 | C10 | C5 | 40.7° | 0.0° |
| N1 | N3 | C10 | C9 | 138.8° | 179.9° |
| C1 | N3 | C10 | C5 | 176.5° | 179.9° |
| C1 | N3 | C10 | C9 | 3.0° | 0.2° |
| N3 | C1 | C2 | H1 | 89.5° | 118.7° |
| O1 | C1 | N3 | C10 | 42.9° | 0.2° |
| O1 | C1 | C2 | H1 | 90.0° | 61.1° |
| N3 | C10 | C5 | N2 | 15.4° | 0.0° |
| N3 | C10 | C5 | C9 | 179.6° | 179.9° |
| N3 | C10 | C5 | C6 | 178.7° | 179.9° |
| N3 | C10 | C9 | C8 | 179.5° | 180.0° |
| N3 | C10 | C9 | H4 | 0.5° | 0.1° |
| N2 | C5 | C10 | C6 | 165.9° | 179.9° |
| N2 | C5 | C10 | C9 | 164.2° | 179.9° |
| N2 | C5 | C6 | C7 | 164.3° | 180.0° |
| N2 | C5 | C6 | H2 | 15.7° | 0.0° |
| C13 | C12 | C11 | H5 | 111.7° | 60.0° |
| C13 | C12 | C11 | H6 | 10.2° | 60.0° |
| C13 | C12 | H7 | H8 | 122.1° | 120.0° |
| C12 | C13 | H9 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C10 | C5 | C6 | C7 | 1.3° | 0.0° |
| C5 | C10 | C9 | C8 | 1.0° | 0.0° |
| C10 | C5 | C6 | H2 | 178.7° | 180.0° |
| C5 | C10 | C9 | H4 | 179.0° | 180.0° |
| C9 | C10 | C5 | C6 | 1.7° | 0.0° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.1° |
| C10 | C9 | C8 | C16 | 179.9° | 180.0° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C16 | 179.6° | 180.0° |
| C9 | C8 | C7 | C16 | 179.6° | 179.9° |
| C9 | C8 | C7 | H3 | 179.3° | 180.0° |
| C9 | C8 | C16 | H18 | 89.8° | 90.1° |
| C9 | C8 | C16 | H19 | 150.2° | 29.9° |
| C9 | C8 | C16 | H20 | 30.2° | 150.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | H4 | 179.8° | 180.0° |
| C7 | C8 | C16 | H18 | 89.8° | 90.0° |
| C7 | C8 | C16 | H19 | 30.2° | 150.0° |
| C7 | C8 | C16 | H20 | 150.2° | 29.9° |
| C16 | C8 | C7 | H3 | 0.4° | 0.1° |
| C16 | C8 | C9 | H4 | 0.1° | 0.1° |
| C8 | C16 | H18 | H19 | 120.0° | 120.0° |
| C8 | C16 | H18 | H20 | 120.0° | 120.0° |
| C8 | C16 | H19 | H20 | 120.0° | 120.0° |
| H1 | C2 | C11 | H5 | 104.1° | 172.4° |
| H1 | C2 | C11 | H6 | 134.1° | 67.6° |
| H2 | C6 | C7 | H3 | 0.0° | 0.0° |
| H5 | C11 | C12 | H7 | 129.1° | 180.0° |
| H5 | C11 | C12 | H8 | 7.6° | 60.1° |
| H6 | C11 | C12 | H7 | 109.1° | 60.1° |
| H6 | C11 | C12 | H8 | 129.5° | 180.0° |
| H7 | C12 | C13 | H9 | 60.7° | 180.0° |
| H7 | C12 | C13 | H10 | 179.3° | 60.0° |
| H7 | C12 | C13 | H11 | 59.3° | 60.0° |
| H8 | C12 | C13 | H9 | 60.7° | 60.0° |
| H8 | C12 | C13 | H10 | 59.3° | 180.0° |
| H8 | C12 | C13 | H11 | 179.3° | 60.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
