775
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.75Å | |
| C18 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | N11 | sing | 1.46Å | 1.48Å | |
| O7 | C6 | doub | 1.22Å | 1.22Å | |
| N11 | C10 | sing | 1.39Å | 1.37Å | |
| N9 | C10 | doub | 1.31Å | 1.34Å | Aromatic |
| N9 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C20 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | N8 | sing | 1.35Å | 1.40Å | |
| C6 | C5 | sing | 1.41Å | 1.44Å | |
| N8 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | doub | 1.35Å | 1.34Å | |
| C23 | N24 | sing | 1.37Å | 1.35Å | |
| C21 | N22 | trip | 1.14Å | 1.16Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | N24 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| N11 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N24 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C18 | 119.2° | 120.0° |
| CL1 | C16 | C15 | 121.2° | 120.0° |
| C16 | C18 | C19 | 120.0° | 119.9° |
| C18 | C16 | C15 | 119.6° | 120.0° |
| C16 | C18 | H15 | 120.0° | 120.1° |
| C18 | C19 | C13 | 120.4° | 120.0° |
| C19 | C18 | H15 | 120.0° | 120.0° |
| C18 | C19 | H16 | 119.8° | 120.0° |
| C16 | C15 | C14 | 120.6° | 120.0° |
| C16 | C15 | H14 | 119.7° | 120.0° |
| C19 | C13 | C14 | 119.8° | 120.0° |
| C19 | C13 | C12 | 118.3° | 120.0° |
| C13 | C19 | H16 | 119.8° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | H13 | 120.3° | 120.0° |
| C14 | C15 | H14 | 119.7° | 120.0° |
| C14 | C13 | C12 | 121.8° | 120.0° |
| C13 | C14 | H13 | 120.2° | 120.0° |
| C13 | C12 | N11 | 108.1° | 109.5° |
| C13 | C12 | H11 | 109.8° | 109.5° |
| C13 | C12 | H12 | 109.8° | 109.5° |
| C12 | N11 | C10 | 124.1° | 120.0° |
| C12 | N11 | H10 | 105.7° | 120.0° |
| N11 | C12 | H11 | 109.8° | 109.5° |
| N11 | C12 | H12 | 109.8° | 109.4° |
| O7 | C6 | N8 | 122.1° | 120.1° |
| O7 | C6 | C5 | 124.7° | 120.1° |
| N11 | C10 | N9 | 124.2° | 125.8° |
| N11 | C10 | C20 | 124.5° | 125.9° |
| C10 | N11 | H10 | 105.7° | 120.0° |
| C10 | N9 | N8 | 104.1° | 109.2° |
| N9 | C10 | C20 | 111.3° | 108.3° |
| N9 | N8 | C6 | 122.8° | 131.8° |
| N9 | N8 | C23 | 113.3° | 108.3° |
| C10 | C20 | C23 | 105.3° | 107.0° |
| C10 | C20 | C21 | 129.6° | 126.5° |
| N8 | C6 | C5 | 113.2° | 119.8° |
| C6 | N8 | C23 | 123.9° | 119.9° |
| C6 | C5 | C4 | 123.2° | 119.7° |
| C6 | C5 | H8 | 118.4° | 120.1° |
| N8 | C23 | C20 | 106.0° | 107.2° |
| N8 | C23 | N24 | 119.8° | 120.5° |
| C23 | C20 | C21 | 125.0° | 126.5° |
| C20 | C23 | N24 | 134.2° | 132.3° |
| C20 | C21 | N22 | 178.6° | 179.9° |
| C5 | C4 | N24 | 119.4° | 119.9° |
| C5 | C4 | C3 | 124.4° | 120.1° |
| C4 | C5 | H8 | 118.4° | 120.2° |
| C23 | N24 | C4 | 120.6° | 120.3° |
| C23 | N24 | H9 | 119.7° | 119.9° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| N24 | C4 | C3 | 116.2° | 120.1° |
| C4 | N24 | H9 | 119.7° | 119.9° |
| C4 | C3 | C2 | 110.0° | 109.5° |
| C4 | C3 | H6 | 109.3° | 109.5° |
| C4 | C3 | H7 | 109.3° | 109.5° |
| C3 | C2 | H4 | 109.0° | 109.4° |
| C3 | C2 | H5 | 109.0° | 109.4° |
| C2 | C3 | H6 | 109.3° | 109.5° |
| C2 | C3 | H7 | 109.3° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C18 | C15 | 179.4° | 180.0° |
| CL1 | C16 | C18 | C19 | 179.2° | 179.8° |
| CL1 | C16 | C15 | C14 | 179.2° | 180.0° |
| CL1 | C16 | C15 | H14 | 0.8° | 0.1° |
| CL1 | C16 | C18 | H15 | 0.7° | 0.0° |
| C16 | C18 | C19 | H15 | 180.0° | 179.7° |
| C16 | C18 | C19 | C13 | 0.2° | 0.5° |
| C18 | C16 | C15 | C14 | 0.2° | 0.0° |
| C18 | C16 | C15 | H14 | 179.8° | 180.0° |
| C16 | C18 | C19 | H16 | 179.8° | 180.0° |
| C19 | C18 | C16 | C15 | 0.2° | 0.2° |
| C18 | C19 | C13 | H16 | 180.0° | 179.5° |
| C18 | C19 | C13 | C14 | 0.4° | 0.5° |
| C18 | C19 | C13 | C12 | 178.7° | 179.8° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H13 | 179.6° | 180.0° |
| C15 | C16 | C18 | H15 | 179.8° | 180.0° |
| C19 | C13 | C14 | C15 | 0.4° | 0.2° |
| C19 | C13 | C14 | C12 | 178.2° | 179.8° |
| C19 | C13 | C12 | N11 | 82.5° | 90.3° |
| C19 | C13 | C12 | H11 | 37.3° | 149.7° |
| C19 | C13 | C12 | H12 | 157.8° | 29.7° |
| C19 | C13 | C14 | H13 | 179.6° | 179.7° |
| C13 | C19 | C18 | H15 | 179.8° | 179.8° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 178.7° | 180.0° |
| C14 | C13 | C12 | N11 | 95.8° | 90.0° |
| C14 | C13 | C12 | H11 | 144.4° | 30.0° |
| C14 | C13 | C12 | H12 | 24.0° | 150.0° |
| C13 | C14 | C15 | H14 | 179.6° | 180.0° |
| C14 | C13 | C19 | H16 | 179.6° | 180.0° |
| C13 | C12 | N11 | H11 | 119.8° | 120.0° |
| C13 | C12 | N11 | H12 | 119.8° | 120.0° |
| C13 | C12 | N11 | C10 | 151.8° | 180.0° |
| C13 | C12 | N11 | H10 | 86.2° | 0.0° |
| C13 | C12 | H11 | H12 | 120.6° | 120.0° |
| C12 | C13 | C14 | H13 | 1.4° | 0.0° |
| C12 | C13 | C19 | H16 | 1.3° | 0.2° |
| C12 | N11 | C10 | H10 | 122.0° | 180.0° |
| C12 | N11 | C10 | N9 | 12.5° | 0.0° |
| C12 | N11 | C10 | C20 | 166.8° | 180.0° |
| N11 | C12 | H11 | H12 | 120.6° | 119.9° |
| O7 | C6 | N8 | N9 | 0.0° | 0.1° |
| O7 | C6 | N8 | C5 | 179.7° | 179.9° |
| O7 | C6 | N8 | C23 | 179.4° | 180.0° |
| O7 | C6 | C5 | C4 | 179.8° | 180.0° |
| O7 | C6 | C5 | H8 | 0.2° | 0.1° |
| N11 | C10 | N9 | C20 | 179.4° | 179.9° |
| N11 | C10 | N9 | N8 | 179.3° | 180.0° |
| N11 | C10 | C20 | C23 | 179.8° | 180.0° |
| N11 | C10 | C20 | C21 | 2.2° | 0.0° |
| C10 | N11 | C12 | H11 | 32.0° | 60.0° |
| C10 | N11 | C12 | H12 | 88.5° | 60.0° |
| C10 | N9 | N8 | C6 | 180.0° | 180.0° |
| C10 | N9 | N8 | C23 | 0.6° | 0.0° |
| N9 | C10 | C20 | C23 | 0.5° | 0.0° |
| N9 | C10 | C20 | C21 | 178.4° | 180.0° |
| N9 | C10 | N11 | H10 | 109.5° | 180.0° |
| N8 | N9 | C10 | C20 | 0.0° | 0.0° |
| N9 | N8 | C6 | C23 | 179.4° | 179.9° |
| N9 | N8 | C6 | C5 | 179.7° | 180.0° |
| N9 | N8 | C23 | C20 | 0.9° | 0.0° |
| N9 | N8 | C23 | N24 | 180.0° | 180.0° |
| C10 | C20 | C23 | N8 | 0.7° | 0.0° |
| C10 | C20 | C23 | C21 | 178.1° | 180.0° |
| C10 | C20 | C23 | N24 | 179.7° | 180.0° |
| C10 | C20 | C21 | N22 | 75.0° | 52.1° |
| C20 | C10 | N11 | H10 | 71.2° | 0.1° |
| C6 | N8 | C23 | C20 | 179.7° | 180.0° |
| N8 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | N8 | C23 | N24 | 0.6° | 0.1° |
| N8 | C6 | C5 | H8 | 179.9° | 180.0° |
| C5 | C6 | N8 | C23 | 0.3° | 0.1° |
| C6 | C5 | C4 | H8 | 180.0° | 179.9° |
| C6 | C5 | C4 | N24 | 0.3° | 0.1° |
| C6 | C5 | C4 | C3 | 179.3° | 179.7° |
| N8 | C23 | C20 | N24 | 179.0° | 179.9° |
| N8 | C23 | C20 | C21 | 178.8° | 180.0° |
| N8 | C23 | N24 | C4 | 0.4° | 0.1° |
| N8 | C23 | N24 | H9 | 179.7° | 179.7° |
| C23 | C20 | C21 | N22 | 102.6° | 127.9° |
| C20 | C23 | N24 | C4 | 179.2° | 180.0° |
| C20 | C23 | N24 | H9 | 0.8° | 0.2° |
| C21 | C20 | C23 | N24 | 2.2° | 0.1° |
| C5 | C4 | N24 | C23 | 0.1° | 0.1° |
| C5 | C4 | N24 | C3 | 179.6° | 179.7° |
| C5 | C4 | C3 | C2 | 108.5° | 95.3° |
| C5 | C4 | C3 | H6 | 11.6° | 24.7° |
| C5 | C4 | C3 | H7 | 131.4° | 144.7° |
| C5 | C4 | N24 | H9 | 179.9° | 179.7° |
| C23 | N24 | C4 | H9 | 180.0° | 179.8° |
| C23 | N24 | C4 | C3 | 179.5° | 179.8° |
| C1 | C2 | C3 | C4 | 67.1° | 180.0° |
| C1 | C2 | C3 | H4 | 120.3° | 120.0° |
| C1 | C2 | C3 | H5 | 120.3° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.1° | 120.1° |
| C1 | C2 | C3 | H6 | 52.9° | 60.0° |
| C1 | C2 | C3 | H7 | 172.8° | 60.0° |
| N24 | C4 | C3 | C2 | 71.1° | 85.1° |
| N24 | C4 | C3 | H6 | 168.8° | 155.0° |
| N24 | C4 | C3 | H7 | 49.0° | 35.0° |
| N24 | C4 | C5 | H8 | 179.7° | 180.0° |
| C4 | C3 | C2 | H6 | 120.1° | 120.0° |
| C4 | C3 | C2 | H7 | 120.1° | 120.0° |
| C4 | C3 | C2 | H4 | 53.2° | 60.0° |
| C4 | C3 | C2 | H5 | 172.5° | 60.0° |
| C4 | C3 | H6 | H7 | 119.8° | 120.0° |
| C3 | C4 | C5 | H8 | 0.7° | 0.3° |
| C3 | C4 | N24 | H9 | 0.5° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 119.1° | 119.9° |
| C2 | C3 | H6 | H7 | 119.7° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.7° | 60.0° |
| H1 | C1 | C2 | H5 | 59.7° | 180.0° |
| H2 | C1 | C2 | H4 | 60.3° | 180.0° |
| H2 | C1 | C2 | H5 | 179.7° | 59.9° |
| H3 | C1 | C2 | H4 | 179.7° | 60.0° |
| H3 | C1 | C2 | H5 | 60.3° | 60.1° |
| H4 | C2 | C3 | H6 | 173.3° | 180.0° |
| H4 | C2 | C3 | H7 | 66.9° | 60.0° |
| H5 | C2 | C3 | H6 | 67.4° | 60.0° |
| H5 | C2 | C3 | H7 | 52.5° | 180.0° |
| H10 | N11 | C12 | H11 | 154.0° | 120.0° |
| H10 | N11 | C12 | H12 | 33.5° | 120.0° |
| H13 | C14 | C15 | H14 | 0.4° | 0.1° |
| H15 | C18 | C19 | H16 | 0.2° | 0.2° |
