7ZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N3 | sing | 1.40Å | 1.37Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.42Å | Aromatic |
| O12 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| N4 | C6 | doub | 1.30Å | 1.32Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.48Å | |
| N7 | C5 | sing | 1.35Å | 1.37Å | |
| N7 | C13 | sing | 1.40Å | 1.43Å | |
| C5 | O11 | doub | 1.22Å | 1.24Å | |
| C17 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N8 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | N8 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | N15 | sing | 1.39Å | 1.45Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C20 | 120.5° | 120.1° |
| C22 | C21 | C19 | 119.6° | 120.1° |
| C22 | C21 | H4 | 120.2° | 119.9° |
| C21 | C22 | H5 | 119.8° | 119.9° |
| C22 | C20 | C18 | 119.6° | 120.1° |
| C22 | C20 | H3 | 120.2° | 120.0° |
| C20 | C22 | H5 | 119.7° | 120.0° |
| C21 | C19 | C9 | 120.8° | 119.9° |
| C19 | C21 | H4 | 120.2° | 119.9° |
| C21 | C19 | H13 | 119.6° | 120.1° |
| C20 | C18 | C9 | 119.7° | 119.9° |
| C18 | C20 | H3 | 120.2° | 120.0° |
| C20 | C18 | H12 | 120.2° | 120.0° |
| C19 | C9 | C18 | 119.8° | 119.8° |
| C19 | C9 | N3 | 120.7° | 120.1° |
| C9 | C19 | H13 | 119.6° | 120.0° |
| C18 | C9 | N3 | 119.5° | 120.1° |
| C9 | C18 | H12 | 120.2° | 120.0° |
| C9 | N3 | C2 | 125.9° | 125.8° |
| C9 | N3 | N4 | 127.4° | 125.7° |
| C2 | N3 | N4 | 106.8° | 108.5° |
| N3 | C2 | O12 | 124.3° | 126.4° |
| N3 | C2 | C1 | 108.0° | 107.1° |
| N3 | N4 | C6 | 110.7° | 109.2° |
| O12 | C2 | C1 | 127.6° | 126.4° |
| C2 | O12 | H6 | 109.5° | 114.0° |
| C2 | C1 | C6 | 107.2° | 107.0° |
| C2 | C1 | C5 | 126.2° | 126.5° |
| N4 | C6 | C1 | 107.3° | 108.2° |
| N4 | C6 | H1 | 126.4° | 125.9° |
| C6 | C1 | C5 | 126.6° | 126.5° |
| C1 | C6 | H1 | 126.3° | 125.9° |
| C1 | C5 | N7 | 120.0° | 120.0° |
| C1 | C5 | O11 | 120.4° | 120.0° |
| C5 | N7 | C13 | 124.1° | 120.0° |
| N7 | C5 | O11 | 119.5° | 120.0° |
| C5 | N7 | H7 | 118.0° | 120.0° |
| N7 | C13 | C17 | 120.5° | 120.4° |
| N7 | C13 | C14 | 122.1° | 120.4° |
| C13 | N7 | H7 | 118.0° | 120.0° |
| C13 | C17 | C16 | 120.4° | 118.4° |
| C17 | C13 | C14 | 116.9° | 119.2° |
| C13 | C17 | H2 | 119.8° | 120.8° |
| C17 | C16 | C10 | 120.4° | 119.1° |
| C16 | C17 | H2 | 119.8° | 120.7° |
| C17 | C16 | H11 | 119.8° | 120.4° |
| C13 | C14 | N8 | 121.1° | 120.7° |
| C13 | C14 | H8 | 119.4° | 119.7° |
| C16 | C10 | N8 | 118.9° | 120.7° |
| C16 | C10 | N15 | 120.3° | 119.6° |
| C10 | C16 | H11 | 119.8° | 120.4° |
| C14 | N8 | C10 | 122.2° | 121.8° |
| N8 | C14 | H8 | 119.4° | 119.6° |
| N8 | C10 | N15 | 120.8° | 119.7° |
| C10 | N15 | H9 | 109.5° | 120.0° |
| C10 | N15 | H10 | 109.5° | 120.0° |
| H9 | N15 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C20 | H5 | 180.0° | 180.0° |
| C22 | C21 | C19 | H4 | 180.0° | 179.8° |
| C21 | C22 | C20 | C18 | 0.9° | 0.0° |
| C22 | C21 | C19 | C9 | 1.6° | 0.3° |
| C21 | C22 | C20 | H3 | 179.1° | 179.8° |
| C22 | C21 | C19 | H13 | 178.4° | 179.8° |
| C20 | C22 | C21 | C19 | 0.0° | 0.0° |
| C22 | C20 | C18 | H3 | 180.0° | 179.8° |
| C22 | C20 | C18 | C9 | 0.1° | 0.3° |
| C20 | C22 | C21 | H4 | 180.0° | 179.8° |
| C22 | C20 | C18 | H12 | 179.9° | 179.8° |
| C21 | C19 | C9 | H13 | 180.0° | 179.9° |
| C21 | C19 | C9 | C18 | 2.4° | 0.5° |
| C21 | C19 | C9 | N3 | 179.1° | 180.0° |
| C19 | C21 | C22 | H5 | 180.0° | 179.9° |
| C20 | C18 | C9 | C19 | 1.5° | 0.5° |
| C20 | C18 | C9 | H12 | 180.0° | 180.0° |
| C20 | C18 | C9 | N3 | 180.0° | 180.0° |
| C18 | C20 | C22 | H5 | 179.1° | 180.0° |
| C19 | C9 | C18 | N3 | 178.5° | 179.5° |
| C19 | C9 | N3 | C2 | 39.9° | 35.5° |
| C19 | C9 | N3 | N4 | 140.1° | 144.1° |
| C9 | C19 | C21 | H4 | 178.4° | 180.0° |
| C19 | C9 | C18 | H12 | 178.5° | 179.5° |
| C18 | C9 | N3 | C2 | 138.6° | 145.1° |
| C18 | C9 | N3 | N4 | 41.4° | 35.3° |
| C9 | C18 | C20 | H3 | 179.9° | 180.0° |
| C18 | C9 | C19 | H13 | 177.6° | 179.5° |
| C9 | N3 | C2 | N4 | 180.0° | 179.7° |
| C9 | N3 | C2 | O12 | 0.4° | 0.3° |
| C9 | N3 | C2 | C1 | 178.1° | 179.8° |
| C9 | N3 | N4 | C6 | 177.7° | 179.8° |
| N3 | C9 | C18 | H12 | 0.0° | 0.0° |
| N3 | C9 | C19 | H13 | 0.9° | 0.0° |
| N3 | C2 | O12 | C1 | 178.2° | 179.9° |
| C2 | N3 | N4 | C6 | 2.3° | 0.1° |
| N3 | C2 | C1 | C6 | 0.9° | 0.1° |
| N3 | C2 | C1 | C5 | 177.9° | 180.0° |
| N3 | C2 | O12 | H6 | 180.0° | 90.0° |
| N4 | N3 | C2 | O12 | 179.6° | 180.0° |
| N4 | N3 | C2 | C1 | 1.9° | 0.1° |
| N3 | N4 | C6 | C1 | 1.7° | 0.0° |
| N3 | N4 | C6 | H1 | 178.3° | 180.0° |
| O12 | C2 | C1 | C6 | 179.4° | 180.0° |
| O12 | C2 | C1 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | N4 | 0.5° | 0.0° |
| C2 | C1 | C6 | C5 | 178.9° | 180.0° |
| C2 | C1 | C5 | N7 | 10.3° | 179.9° |
| C2 | C1 | C5 | O11 | 173.6° | 0.0° |
| C2 | C1 | C6 | H1 | 179.5° | 180.0° |
| C1 | C2 | O12 | H6 | 1.8° | 90.1° |
| N4 | C6 | C1 | H1 | 180.0° | 180.0° |
| N4 | C6 | C1 | C5 | 179.4° | 180.0° |
| C6 | C1 | C5 | N7 | 168.3° | 0.0° |
| C6 | C1 | C5 | O11 | 7.7° | 179.9° |
| C1 | C5 | N7 | O11 | 176.1° | 179.9° |
| C1 | C5 | N7 | C13 | 179.5° | 174.7° |
| C5 | C1 | C6 | H1 | 0.6° | 0.0° |
| C1 | C5 | N7 | H7 | 0.5° | 5.2° |
| C5 | N7 | C13 | H7 | 180.0° | 179.9° |
| C5 | N7 | C13 | C17 | 159.0° | 33.0° |
| C5 | N7 | C13 | C14 | 29.3° | 147.5° |
| C13 | N7 | C5 | O11 | 4.4° | 5.4° |
| N7 | C13 | C17 | C14 | 172.1° | 179.5° |
| N7 | C13 | C17 | C16 | 175.7° | 179.8° |
| N7 | C13 | C14 | N8 | 175.8° | 180.0° |
| N7 | C13 | C17 | H2 | 4.3° | 0.4° |
| N7 | C13 | C14 | H8 | 4.2° | 0.0° |
| O11 | C5 | N7 | H7 | 175.6° | 174.7° |
| C13 | C17 | C16 | H2 | 180.0° | 179.4° |
| C13 | C17 | C16 | C10 | 2.9° | 0.4° |
| C17 | C13 | C14 | N8 | 3.8° | 0.5° |
| C17 | C13 | N7 | H7 | 20.9° | 146.9° |
| C17 | C13 | C14 | H8 | 176.2° | 179.5° |
| C13 | C17 | C16 | H11 | 177.1° | 180.0° |
| C16 | C17 | C13 | C14 | 3.6° | 0.7° |
| C17 | C16 | C10 | H11 | 180.0° | 179.6° |
| C17 | C16 | C10 | N8 | 2.2° | 0.0° |
| C17 | C16 | C10 | N15 | 179.9° | 179.8° |
| C13 | C14 | N8 | H8 | 180.0° | 180.0° |
| C13 | C14 | N8 | C10 | 3.3° | 0.0° |
| C14 | C13 | C17 | H2 | 176.4° | 179.9° |
| C14 | C13 | N7 | H7 | 150.8° | 32.6° |
| C16 | C10 | N8 | C14 | 2.4° | 0.3° |
| C16 | C10 | N8 | N15 | 177.9° | 179.7° |
| C10 | C16 | C17 | H2 | 177.1° | 179.9° |
| C16 | C10 | N15 | H9 | 177.9° | 179.7° |
| C16 | C10 | N15 | H10 | 62.1° | 0.3° |
| C14 | N8 | C10 | N15 | 179.7° | 180.0° |
| C10 | N8 | C14 | H8 | 176.7° | 180.0° |
| N8 | C10 | N15 | H9 | 0.0° | 0.0° |
| N8 | C10 | N15 | H10 | 120.0° | 180.0° |
| N8 | C10 | C16 | H11 | 177.8° | 179.5° |
| C10 | N15 | H9 | H10 | 120.0° | 180.0° |
| N15 | C10 | C16 | H11 | 0.1° | 0.2° |
| H2 | C17 | C16 | H11 | 2.9° | 0.6° |
| H3 | C20 | C22 | H5 | 0.9° | 0.3° |
| H3 | C20 | C18 | H12 | 0.1° | 0.0° |
| H4 | C21 | C22 | H5 | 0.0° | 0.3° |
| H4 | C21 | C19 | H13 | 1.6° | 0.0° |
