NNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | N23 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N24 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| N23 | HN2A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N23 | 112.0° | 109.4° |
| C15 | C16 | C17 | 121.8° | 120.8° |
| C15 | C16 | C20 | 118.6° | 120.8° |
| C16 | C15 | H15 | 108.6° | 109.5° |
| C16 | C15 | H15A | 108.6° | 109.5° |
| N23 | C15 | H15 | 108.7° | 109.5° |
| N23 | C15 | H15A | 108.6° | 109.5° |
| C15 | N23 | HN23 | 109.5° | 111.0° |
| C15 | N23 | HN2A | 109.5° | 111.0° |
| C17 | C16 | C20 | 119.6° | 118.4° |
| C16 | C17 | C18 | 118.9° | 119.1° |
| C16 | C17 | H17 | 120.6° | 120.4° |
| C16 | C20 | C19 | 118.4° | 119.2° |
| C16 | C20 | H20 | 120.8° | 120.4° |
| C17 | C18 | N24 | 120.5° | 120.8° |
| C18 | C17 | H17 | 120.5° | 120.5° |
| C17 | C18 | H18 | 119.7° | 119.6° |
| C18 | N24 | C19 | 121.3° | 121.7° |
| N24 | C18 | H18 | 119.8° | 119.6° |
| C20 | C19 | N24 | 121.3° | 120.8° |
| C20 | C19 | H19 | 119.3° | 119.6° |
| C19 | C20 | H20 | 120.8° | 120.4° |
| N24 | C19 | H19 | 119.3° | 119.6° |
| H15 | C15 | H15A | 110.3° | 109.5° |
| HN23 | N23 | HN2A | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N23 | H15 | 120.0° | 120.0° |
| C16 | C15 | N23 | H15A | 120.0° | 120.0° |
| C15 | C16 | C17 | C20 | 179.5° | 179.6° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C20 | C19 | 179.1° | 180.0° |
| C16 | C15 | H15 | H15A | 119.0° | 120.0° |
| C15 | C16 | C17 | H17 | 0.4° | 0.1° |
| C15 | C16 | C20 | H20 | 0.9° | 0.0° |
| C16 | C15 | N23 | HN23 | 180.0° | 180.0° |
| C16 | C15 | N23 | HN2A | 60.0° | 56.1° |
| N23 | C15 | C16 | C17 | 100.7° | 90.1° |
| N23 | C15 | C16 | C20 | 79.8° | 90.3° |
| N23 | C15 | H15 | H15A | 119.0° | 120.0° |
| C15 | N23 | HN23 | HN2A | 120.0° | 123.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N24 | 1.2° | 0.0° |
| C17 | C16 | C20 | C19 | 0.4° | 0.3° |
| C17 | C16 | C15 | H15 | 139.3° | 150.0° |
| C17 | C16 | C15 | H15A | 19.3° | 30.0° |
| C16 | C17 | C18 | H18 | 178.8° | 179.9° |
| C17 | C16 | C20 | H20 | 179.5° | 179.7° |
| C20 | C16 | C17 | C18 | 0.1° | 0.3° |
| C16 | C20 | C19 | H20 | 180.0° | 180.0° |
| C16 | C20 | C19 | N24 | 0.1° | 0.1° |
| C20 | C16 | C15 | H15 | 40.2° | 29.7° |
| C20 | C16 | C15 | H15A | 160.2° | 149.7° |
| C20 | C16 | C17 | H17 | 179.9° | 179.8° |
| C16 | C20 | C19 | H19 | 179.9° | 180.0° |
| C17 | C18 | N24 | H18 | 180.0° | 180.0° |
| C17 | C18 | N24 | C19 | 1.8° | 0.2° |
| C18 | N24 | C19 | C20 | 1.2° | 0.2° |
| N24 | C18 | C17 | H17 | 178.8° | 180.0° |
| C18 | N24 | C19 | H19 | 178.8° | 179.7° |
| C20 | C19 | N24 | H19 | 180.0° | 179.9° |
| C19 | N24 | C18 | H18 | 178.2° | 179.8° |
| N24 | C19 | C20 | H20 | 179.9° | 179.9° |
| H15 | C15 | N23 | HN23 | 60.0° | 60.0° |
| H15 | C15 | N23 | HN2A | 180.0° | 176.1° |
| H15A | C15 | N23 | HN23 | 60.0° | 60.0° |
| H15A | C15 | N23 | HN2A | 60.0° | 63.9° |
| H17 | C17 | C18 | H18 | 1.2° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.0° |
