0YC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.36Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.35Å | Aromatic |
| N16 | H13 | sing | 1.01Å | 1.00Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| N16 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C17 | C18 | 110.1° | 109.5° |
| C17 | N16 | H13 | 109.5° | 111.1° |
| N16 | C17 | H14 | 109.3° | 109.5° |
| N16 | C17 | H15 | 109.3° | 109.5° |
| C17 | N16 | H2 | 109.5° | 111.0° |
| C17 | C18 | C26 | 121.5° | 120.4° |
| C17 | C18 | C22 | 121.8° | 120.4° |
| C18 | C17 | H14 | 109.3° | 109.5° |
| C18 | C17 | H15 | 109.3° | 109.5° |
| C26 | C18 | C22 | 116.7° | 119.2° |
| C18 | C26 | C25 | 120.8° | 118.4° |
| C18 | C26 | H25 | 119.6° | 120.8° |
| C18 | C22 | N23 | 124.0° | 120.7° |
| C18 | C22 | H22 | 118.0° | 119.7° |
| C26 | C25 | C24 | 118.8° | 119.1° |
| C26 | C25 | H24 | 120.6° | 120.4° |
| C25 | C26 | H25 | 119.6° | 120.8° |
| C22 | N23 | C24 | 117.5° | 121.7° |
| N23 | C22 | H22 | 118.0° | 119.6° |
| C25 | C24 | N23 | 122.2° | 120.8° |
| C25 | C24 | H23 | 118.9° | 119.6° |
| C24 | C25 | H24 | 120.6° | 120.5° |
| N23 | C24 | H23 | 118.9° | 119.6° |
| H13 | N16 | H2 | 109.5° | 111.0° |
| H14 | C17 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C17 | C18 | H14 | 120.1° | 120.0° |
| N16 | C17 | C18 | H15 | 120.1° | 120.0° |
| N16 | C17 | C18 | C26 | 73.1° | 90.0° |
| N16 | C17 | C18 | C22 | 106.9° | 89.7° |
| C17 | N16 | H13 | H2 | 120.0° | 124.0° |
| N16 | C17 | H14 | H15 | 119.7° | 120.0° |
| C17 | C18 | C26 | C22 | 180.0° | 179.7° |
| C17 | C18 | C26 | C25 | 179.9° | 179.8° |
| C17 | C18 | C22 | N23 | 180.0° | 180.0° |
| C18 | C17 | N16 | H13 | 180.0° | 179.9° |
| C18 | C17 | H14 | H15 | 119.7° | 120.0° |
| C17 | C18 | C22 | H22 | 0.0° | 0.0° |
| C17 | C18 | C26 | H25 | 0.1° | 0.0° |
| C18 | C17 | N16 | H2 | 60.0° | 56.1° |
| C18 | C26 | C25 | H25 | 180.0° | 179.8° |
| C26 | C18 | C22 | N23 | 0.0° | 0.2° |
| C18 | C26 | C25 | C24 | 0.1° | 0.5° |
| C26 | C18 | C17 | H14 | 166.8° | 30.0° |
| C26 | C18 | C17 | H15 | 47.0° | 150.0° |
| C26 | C18 | C22 | H22 | 180.0° | 179.8° |
| C18 | C26 | C25 | H24 | 180.0° | 179.7° |
| C22 | C18 | C26 | C25 | 0.1° | 0.5° |
| C18 | C22 | N23 | H22 | 180.0° | 180.0° |
| C18 | C22 | N23 | C24 | 0.1° | 0.0° |
| C22 | C18 | C17 | H14 | 13.2° | 150.2° |
| C22 | C18 | C17 | H15 | 133.0° | 30.3° |
| C22 | C18 | C26 | H25 | 179.9° | 179.7° |
| C26 | C25 | C24 | H24 | 180.0° | 179.8° |
| C26 | C25 | C24 | N23 | 0.0° | 0.3° |
| C26 | C25 | C24 | H23 | 180.0° | 179.8° |
| C22 | N23 | C24 | C25 | 0.1° | 0.0° |
| C22 | N23 | C24 | H23 | 179.9° | 180.0° |
| C25 | C24 | N23 | H23 | 180.0° | 180.0° |
| C24 | C25 | C26 | H25 | 179.9° | 179.7° |
| C24 | N23 | C22 | H22 | 179.9° | 180.0° |
| N23 | C24 | C25 | H24 | 180.0° | 180.0° |
| H13 | N16 | C17 | H14 | 59.9° | 60.0° |
| H13 | N16 | C17 | H15 | 59.9° | 60.0° |
| H14 | C17 | N16 | H2 | 60.1° | 64.0° |
| H15 | C17 | N16 | H2 | 179.9° | 176.0° |
| H23 | C24 | C25 | H24 | 0.0° | 0.0° |
| H24 | C25 | C26 | H25 | 0.0° | 0.0° |
