7Z9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| O12 | C11 | doub | 1.22Å | 1.20Å | |
| N18 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.34Å | |
| N10 | C9 | sing | 1.36Å | 1.43Å | |
| N13 | C9 | sing | 1.37Å | 1.41Å | |
| C11 | C4 | sing | 1.47Å | 1.53Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | S14 | sing | 1.76Å | 1.77Å | |
| C9 | N8 | doub | 1.31Å | 1.38Å | |
| S14 | C3 | sing | 1.76Å | 1.80Å | |
| C4 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| N8 | C5 | sing | 1.36Å | 1.42Å | |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C19 | C20 | 121.7° | 120.8° |
| C19 | N18 | C17 | 121.1° | 122.0° |
| N18 | C19 | H3 | 119.2° | 119.6° |
| C19 | C20 | C15 | 118.2° | 119.0° |
| C19 | C20 | H2 | 120.9° | 120.4° |
| C20 | C19 | H3 | 119.1° | 119.6° |
| O12 | C11 | N10 | 115.0° | 121.2° |
| O12 | C11 | C4 | 124.8° | 121.2° |
| N18 | C17 | C16 | 120.3° | 120.9° |
| N18 | C17 | H1 | 119.8° | 119.6° |
| C20 | C15 | C16 | 119.9° | 118.3° |
| C20 | C15 | S14 | 119.3° | 120.8° |
| C15 | C20 | H2 | 120.9° | 120.5° |
| C11 | N10 | C9 | 119.8° | 120.6° |
| N10 | C11 | C4 | 120.2° | 117.6° |
| C11 | N10 | H10 | 120.1° | 119.7° |
| N10 | C9 | N13 | 114.9° | 118.5° |
| N10 | C9 | N8 | 120.0° | 123.1° |
| C9 | N10 | H10 | 120.1° | 119.7° |
| N13 | C9 | N8 | 125.1° | 118.5° |
| C9 | N13 | H11 | 120.0° | 120.0° |
| C9 | N13 | H12 | 120.0° | 120.0° |
| C11 | C4 | C3 | 122.5° | 121.8° |
| C11 | C4 | C5 | 118.2° | 118.3° |
| C17 | C16 | C15 | 118.6° | 119.0° |
| C16 | C17 | H1 | 119.8° | 119.5° |
| C17 | C16 | H4 | 120.7° | 120.5° |
| C16 | C15 | S14 | 120.7° | 120.9° |
| C15 | C16 | H4 | 120.7° | 120.5° |
| C15 | S14 | C3 | 107.9° | 103.0° |
| C9 | N8 | C5 | 121.3° | 121.5° |
| S14 | C3 | C4 | 122.5° | 120.4° |
| S14 | C3 | C2 | 117.1° | 120.3° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C4 | C3 | C2 | 120.1° | 119.3° |
| C4 | C5 | N8 | 120.2° | 119.0° |
| C4 | C5 | C6 | 121.7° | 119.4° |
| N8 | C5 | C6 | 118.1° | 121.5° |
| C3 | C2 | C1 | 117.6° | 119.8° |
| C3 | C2 | C7 | 120.0° | 120.5° |
| C5 | C6 | C7 | 118.1° | 119.9° |
| C5 | C6 | H8 | 121.0° | 120.1° |
| C1 | C2 | C7 | 122.5° | 119.7° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C7 | C6 | 120.8° | 120.9° |
| C2 | C7 | H9 | 119.6° | 119.6° |
| C7 | C6 | H8 | 121.0° | 120.0° |
| C6 | C7 | H9 | 119.6° | 119.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H11 | N13 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C19 | C20 | H3 | 180.0° | 180.0° |
| N18 | C19 | C20 | C15 | 2.3° | 0.0° |
| C19 | N18 | C17 | C16 | 0.3° | 0.5° |
| C19 | N18 | C17 | H1 | 179.7° | 180.0° |
| N18 | C19 | C20 | H2 | 177.6° | 180.0° |
| C20 | C19 | N18 | C17 | 1.4° | 0.3° |
| C19 | C20 | C15 | H2 | 180.0° | 180.0° |
| C19 | C20 | C15 | C16 | 2.2° | 0.0° |
| C19 | C20 | C15 | S14 | 176.7° | 179.7° |
| O12 | C11 | N10 | C4 | 177.6° | 179.6° |
| O12 | C11 | N10 | C9 | 175.4° | 179.7° |
| O12 | C11 | C4 | C3 | 0.6° | 0.3° |
| O12 | C11 | C4 | C5 | 177.7° | 179.7° |
| O12 | C11 | N10 | H10 | 4.6° | 0.2° |
| N18 | C17 | C16 | H1 | 180.0° | 179.5° |
| N18 | C17 | C16 | C15 | 0.2° | 0.5° |
| C17 | N18 | C19 | H3 | 178.6° | 179.7° |
| N18 | C17 | C16 | H4 | 179.7° | 179.5° |
| C20 | C15 | C16 | C17 | 1.2° | 0.2° |
| C20 | C15 | C16 | S14 | 178.9° | 179.8° |
| C20 | C15 | S14 | C3 | 178.1° | 0.2° |
| C15 | C20 | C19 | H3 | 177.7° | 180.0° |
| C20 | C15 | C16 | H4 | 178.8° | 179.8° |
| C11 | N10 | C9 | H10 | 180.0° | 180.0° |
| C11 | N10 | C9 | N13 | 175.8° | 180.0° |
| C11 | N10 | C9 | N8 | 6.3° | 0.0° |
| N10 | C11 | C4 | C3 | 178.0° | 180.0° |
| N10 | C11 | C4 | C5 | 5.0° | 0.1° |
| N10 | C9 | N13 | N8 | 177.9° | 180.0° |
| C9 | N10 | C11 | C4 | 6.9° | 0.1° |
| N10 | C9 | N8 | C5 | 3.4° | 0.0° |
| N10 | C9 | N13 | H11 | 177.8° | 180.0° |
| N10 | C9 | N13 | H12 | 2.1° | 0.0° |
| N13 | C9 | N8 | C5 | 178.9° | 180.0° |
| N13 | C9 | N10 | H10 | 4.2° | 0.1° |
| C9 | N13 | H11 | H12 | 179.9° | 180.0° |
| C11 | C4 | C3 | S14 | 5.0° | 0.1° |
| C11 | C4 | C3 | C5 | 177.1° | 179.9° |
| C11 | C4 | C5 | N8 | 2.0° | 0.1° |
| C11 | C4 | C3 | C2 | 179.5° | 179.9° |
| C11 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C11 | N10 | H10 | 173.1° | 179.9° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | S14 | 177.7° | 180.0° |
| C16 | C15 | S14 | C3 | 0.8° | 180.0° |
| C15 | C16 | C17 | H1 | 179.8° | 180.0° |
| C16 | C15 | C20 | H2 | 177.8° | 180.0° |
| C15 | S14 | C3 | C4 | 80.6° | 90.0° |
| C15 | S14 | C3 | C2 | 94.0° | 90.0° |
| S14 | C15 | C20 | H2 | 3.3° | 0.2° |
| S14 | C15 | C16 | H4 | 2.3° | 0.0° |
| C9 | N8 | C5 | C4 | 1.4° | 0.0° |
| C9 | N8 | C5 | C6 | 180.0° | 180.0° |
| N8 | C9 | N10 | H10 | 173.7° | 179.9° |
| N8 | C9 | N13 | H11 | 0.0° | 0.0° |
| N8 | C9 | N13 | H12 | 180.0° | 180.0° |
| S14 | C3 | C4 | C2 | 174.4° | 180.0° |
| S14 | C3 | C4 | C5 | 177.9° | 180.0° |
| S14 | C3 | C2 | C1 | 3.4° | 0.0° |
| S14 | C3 | C2 | C7 | 177.9° | 179.9° |
| C3 | C4 | C5 | N8 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 2.2° | 0.1° |
| C4 | C3 | C2 | C1 | 178.1° | 180.0° |
| C4 | C3 | C2 | C7 | 3.2° | 0.1° |
| C4 | C5 | N8 | C6 | 178.6° | 179.9° |
| C5 | C4 | C3 | C2 | 3.5° | 0.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | H8 | 179.3° | 179.9° |
| N8 | C5 | C6 | C7 | 179.3° | 179.9° |
| N8 | C5 | C6 | H8 | 0.7° | 0.0° |
| C3 | C2 | C1 | C7 | 178.7° | 179.9° |
| C3 | C2 | C7 | C6 | 1.6° | 0.1° |
| C3 | C2 | C1 | H5 | 90.6° | 90.0° |
| C3 | C2 | C1 | H6 | 149.4° | 29.9° |
| C3 | C2 | C1 | H7 | 29.4° | 150.0° |
| C3 | C2 | C7 | H9 | 178.4° | 179.9° |
| C5 | C6 | C7 | C2 | 0.3° | 0.1° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | H9 | 179.6° | 179.9° |
| C1 | C2 | C7 | C6 | 179.7° | 180.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.1° |
| C1 | C2 | C7 | H9 | 0.3° | 0.1° |
| C2 | C7 | C6 | H9 | 180.0° | 179.8° |
| C7 | C2 | C1 | H5 | 90.7° | 90.1° |
| C7 | C2 | C1 | H6 | 29.3° | 150.0° |
| C7 | C2 | C1 | H7 | 149.3° | 30.0° |
| C2 | C7 | C6 | H8 | 179.7° | 180.0° |
| H1 | C17 | C16 | H4 | 0.2° | 0.0° |
| H2 | C20 | C19 | H3 | 2.4° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 0.4° | 0.2° |
