QNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C23 | trip | 1.14Å | 1.14Å | |
| C23 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | doub | 1.35Å | 1.32Å | |
| C15 | C14 | sing | 1.46Å | 1.44Å | |
| C14 | N | sing | 1.37Å | 1.45Å | |
| C14 | N1 | doub | 1.31Å | 1.28Å | |
| N | C5 | sing | 1.40Å | 1.44Å | |
| N | C7 | sing | 1.35Å | 1.41Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.49Å | |
| C | O1 | doub | 1.21Å | 1.22Å | |
| C | O | sing | 1.35Å | 1.30Å | |
| N1 | C9 | sing | 1.35Å | 1.38Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | O2 | doub | 1.22Å | 1.21Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C23 | C20 | 178.4° | 180.0° |
| C23 | C20 | C19 | 120.3° | 120.0° |
| C23 | C20 | C21 | 120.4° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.1° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C18 | C19 | H19 | 120.0° | 119.9° |
| C19 | C18 | H18 | 119.3° | 120.1° |
| C18 | C17 | C22 | 117.8° | 120.0° |
| C18 | C17 | C16 | 121.1° | 120.0° |
| C17 | C18 | H18 | 119.4° | 120.0° |
| C21 | C22 | C17 | 121.3° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.1° |
| C21 | C22 | H22 | 119.4° | 120.0° |
| C22 | C17 | C16 | 121.1° | 120.0° |
| C17 | C22 | H22 | 119.4° | 120.0° |
| C17 | C16 | C15 | 126.6° | 120.0° |
| C17 | C16 | H16 | 116.7° | 120.0° |
| C16 | C15 | C14 | 130.0° | 120.0° |
| C15 | C16 | H16 | 116.7° | 120.0° |
| C16 | C15 | H15 | 115.0° | 120.0° |
| C15 | C14 | N | 121.2° | 118.5° |
| C15 | C14 | N1 | 111.8° | 118.5° |
| C14 | C15 | H15 | 115.0° | 120.0° |
| N | C14 | N1 | 126.7° | 122.9° |
| C14 | N | C5 | 124.6° | 119.8° |
| C14 | N | C7 | 117.1° | 120.4° |
| C14 | N1 | C9 | 117.7° | 121.7° |
| C5 | N | C7 | 118.3° | 119.8° |
| N | C5 | C4 | 119.8° | 120.0° |
| N | C5 | C6 | 120.0° | 120.0° |
| N | C7 | C8 | 116.2° | 117.5° |
| N | C7 | O2 | 121.2° | 121.2° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.2° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C5 | C6 | C1 | 120.2° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| C4 | C3 | C2 | 120.3° | 120.2° |
| C3 | C4 | H4 | 120.2° | 119.9° |
| C4 | C3 | H3 | 119.9° | 119.9° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C1 | C6 | 119.3° | 119.7° |
| C2 | C1 | C | 120.8° | 120.2° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C6 | C1 | C | 119.9° | 120.1° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C1 | C | O1 | 121.6° | 120.0° |
| C1 | C | O | 114.8° | 120.0° |
| O1 | C | O | 123.6° | 120.0° |
| C | O | H | 109.5° | 117.0° |
| N1 | C9 | C10 | 118.2° | 121.5° |
| N1 | C9 | C8 | 122.5° | 119.3° |
| C10 | C9 | C8 | 119.3° | 119.3° |
| C9 | C10 | C11 | 120.0° | 119.8° |
| C9 | C10 | H10 | 120.0° | 120.1° |
| C9 | C8 | C13 | 120.0° | 119.9° |
| C9 | C8 | C7 | 119.8° | 118.3° |
| C10 | C11 | C12 | 120.5° | 121.0° |
| C11 | C10 | H10 | 120.0° | 120.1° |
| C10 | C11 | H11 | 119.8° | 119.5° |
| C11 | C12 | C13 | 120.4° | 120.6° |
| C12 | C11 | H11 | 119.7° | 119.5° |
| C11 | C12 | H12 | 119.8° | 119.7° |
| C12 | C13 | C8 | 119.8° | 119.4° |
| C13 | C12 | H12 | 119.8° | 119.7° |
| C12 | C13 | H13 | 120.1° | 120.3° |
| C13 | C8 | C7 | 120.2° | 121.8° |
| C8 | C13 | H13 | 120.1° | 120.3° |
| C8 | C7 | O2 | 122.3° | 121.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C23 | C20 | C19 | 1.5° | 116.9° |
| N2 | C23 | C20 | C21 | 178.5° | 62.8° |
| C23 | C20 | C19 | C21 | 180.0° | 179.7° |
| C23 | C20 | C19 | C18 | 180.0° | 180.0° |
| C23 | C20 | C21 | C22 | 180.0° | 180.0° |
| C23 | C20 | C19 | H19 | 0.0° | 0.0° |
| C23 | C20 | C21 | H21 | 0.1° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H21 | 179.9° | 179.7° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.1° | 0.0° |
| C21 | C20 | C19 | H19 | 179.9° | 179.7° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C22 | 0.0° | 0.3° |
| C19 | C18 | C17 | C16 | 180.0° | 179.9° |
| C18 | C17 | C22 | C21 | 0.0° | 0.3° |
| C18 | C17 | C22 | C16 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C22 | H22 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 0.1° |
| C21 | C22 | C17 | H22 | 180.0° | 180.0° |
| C21 | C22 | C17 | C16 | 180.0° | 179.9° |
| C22 | C17 | C16 | C15 | 179.9° | 0.2° |
| C17 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C17 | C18 | H18 | 180.0° | 179.7° |
| C22 | C17 | C16 | H16 | 0.1° | 179.7° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.9° | 179.9° |
| C16 | C17 | C18 | H18 | 0.0° | 0.0° |
| C16 | C17 | C22 | H22 | 0.0° | 0.1° |
| C17 | C16 | C15 | H15 | 0.1° | 0.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | N | 88.9° | 175.6° |
| C16 | C15 | C14 | N1 | 85.1° | 4.1° |
| C15 | C14 | N | N1 | 173.0° | 179.7° |
| C15 | C14 | N | C5 | 8.9° | 0.1° |
| C15 | C14 | N | C7 | 169.9° | 180.0° |
| C15 | C14 | N1 | C9 | 172.7° | 180.0° |
| C14 | C15 | C16 | H16 | 0.1° | 0.0° |
| C14 | N | C5 | C7 | 178.7° | 180.0° |
| C14 | N | C5 | C4 | 24.7° | 90.0° |
| C14 | N | C5 | C6 | 154.2° | 90.2° |
| N | C14 | N1 | C9 | 0.9° | 0.3° |
| C14 | N | C7 | C8 | 3.3° | 0.0° |
| C14 | N | C7 | O2 | 170.6° | 180.0° |
| N | C14 | C15 | H15 | 91.1° | 4.4° |
| N1 | C14 | N | C5 | 178.1° | 179.7° |
| N1 | C14 | N | C7 | 3.1° | 0.3° |
| C14 | N1 | C9 | C10 | 179.4° | 180.0° |
| C14 | N1 | C9 | C8 | 0.9° | 0.0° |
| N1 | C14 | C15 | H15 | 94.9° | 175.9° |
| N | C5 | C4 | C6 | 178.9° | 179.8° |
| N | C5 | C4 | C3 | 178.6° | 179.9° |
| N | C5 | C6 | C1 | 179.1° | 179.7° |
| C5 | N | C7 | C8 | 177.9° | 180.0° |
| C5 | N | C7 | O2 | 8.2° | 0.0° |
| N | C5 | C4 | H4 | 1.4° | 0.0° |
| N | C5 | C6 | H6 | 0.9° | 0.1° |
| C7 | N | C5 | C4 | 154.0° | 90.0° |
| C7 | N | C5 | C6 | 27.1° | 89.8° |
| N | C7 | C8 | C9 | 1.8° | 0.3° |
| N | C7 | C8 | C13 | 178.5° | 180.0° |
| N | C7 | C8 | O2 | 173.8° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.6° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C5 | C6 | C1 | C2 | 0.6° | 0.5° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| C5 | C6 | C1 | C | 178.1° | 179.7° |
| C6 | C5 | C4 | H4 | 179.7° | 179.8° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.6° | 0.3° |
| C3 | C2 | C1 | C | 178.1° | 180.0° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C2 | C1 | C6 | C | 178.8° | 179.7° |
| C2 | C1 | C | O1 | 180.0° | 180.0° |
| C2 | C1 | C | O | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 179.4° | 179.7° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C6 | C1 | C | O1 | 1.3° | 0.3° |
| C6 | C1 | C | O | 178.7° | 179.8° |
| C6 | C1 | C2 | H2 | 179.4° | 179.8° |
| C1 | C | O1 | O | 180.0° | 180.0° |
| C | C1 | C6 | H6 | 1.9° | 0.0° |
| C | C1 | C2 | H2 | 1.9° | 0.0° |
| C1 | C | O | H | 180.0° | 180.0° |
| O1 | C | O | H | 0.0° | 0.0° |
| N1 | C9 | C10 | C8 | 179.7° | 180.0° |
| N1 | C9 | C10 | C11 | 179.3° | 180.0° |
| N1 | C9 | C8 | C13 | 179.3° | 180.0° |
| N1 | C9 | C8 | C7 | 0.5° | 0.2° |
| N1 | C9 | C10 | H10 | 0.7° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | C13 | 0.4° | 0.0° |
| C10 | C9 | C8 | C7 | 179.9° | 179.7° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.1° |
| C9 | C8 | C13 | C7 | 179.8° | 179.7° |
| C9 | C8 | C7 | O2 | 172.1° | 179.7° |
| C8 | C9 | C10 | H10 | 179.6° | 179.9° |
| C9 | C8 | C13 | H13 | 179.9° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.2° | 0.1° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C13 | C8 | H13 | 180.0° | 179.9° |
| C12 | C13 | C8 | C7 | 179.8° | 179.8° |
| C13 | C12 | C11 | H11 | 179.8° | 180.0° |
| C13 | C8 | C7 | O2 | 7.7° | 0.0° |
| C8 | C13 | C12 | H12 | 179.8° | 180.0° |
| C7 | C8 | C13 | H13 | 0.2° | 0.3° |
| H19 | C19 | C18 | H18 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| H16 | C16 | C15 | H15 | 179.9° | 179.9° |
| H4 | C4 | C3 | H3 | 0.3° | 0.1° |
| H3 | C3 | C2 | H2 | 0.2° | 0.1° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| H11 | C11 | C12 | H12 | 0.2° | 0.1° |
| H12 | C12 | C13 | H13 | 0.2° | 0.1° |
