271
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| N03 | C23 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| N03 | H03 | sing | 1.01Å | 1.00Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C23 | 111.8° | 111.0° |
| C04 | N03 | H03 | 108.7° | 111.0° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | C04 | H042 | 109.4° | 109.5° |
| N03 | C04 | H043 | 109.4° | 109.5° |
| N03 | C23 | C24 | 112.0° | 109.5° |
| C23 | N03 | H03 | 108.7° | 111.0° |
| N03 | C23 | H231 | 108.6° | 109.5° |
| N03 | C23 | H232 | 108.0° | 109.5° |
| C23 | C24 | C25 | 122.9° | 120.0° |
| C23 | C24 | C29 | 117.0° | 120.0° |
| C24 | C23 | H231 | 108.6° | 109.5° |
| C24 | C23 | H232 | 108.0° | 109.4° |
| C25 | C24 | C29 | 120.1° | 120.0° |
| C24 | C25 | C26 | 116.7° | 120.0° |
| C24 | C25 | H25 | 121.7° | 120.0° |
| C24 | C29 | C28 | 122.7° | 120.0° |
| C24 | C29 | H29 | 118.7° | 120.0° |
| C25 | C26 | C27 | 121.6° | 120.0° |
| C26 | C25 | H25 | 121.7° | 120.0° |
| C25 | C26 | H26 | 119.2° | 120.0° |
| C26 | C27 | C28 | 121.1° | 120.0° |
| C27 | C26 | H26 | 119.2° | 120.0° |
| C26 | C27 | H27 | 119.5° | 120.0° |
| C27 | C28 | C29 | 117.9° | 120.0° |
| C28 | C27 | H27 | 119.4° | 120.0° |
| C27 | C28 | H28 | 121.1° | 120.0° |
| C29 | C28 | H28 | 121.1° | 120.0° |
| C28 | C29 | H29 | 118.7° | 120.0° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H041 | C04 | H043 | 109.5° | 109.5° |
| H042 | C04 | H043 | 109.5° | 109.5° |
| H231 | C23 | H232 | 111.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | N03 | C23 | H03 | 120.0° | 123.9° |
| C04 | N03 | C23 | C24 | 67.2° | 180.0° |
| N03 | C04 | H041 | H042 | 120.0° | 120.0° |
| N03 | C04 | H041 | H043 | 120.0° | 120.0° |
| N03 | C04 | H042 | H043 | 120.0° | 120.0° |
| C04 | N03 | C23 | H231 | 172.8° | 60.0° |
| C04 | N03 | C23 | H232 | 51.7° | 60.0° |
| N03 | C23 | C24 | H231 | 120.0° | 120.0° |
| N03 | C23 | C24 | H232 | 118.9° | 120.0° |
| N03 | C23 | C24 | C25 | 64.2° | 90.0° |
| N03 | C23 | C24 | C29 | 113.4° | 90.2° |
| C23 | N03 | C04 | H041 | 37.2° | 60.0° |
| C23 | N03 | C04 | H042 | 82.9° | 60.0° |
| C23 | N03 | C04 | H043 | 157.1° | 180.0° |
| N03 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | C24 | C25 | C29 | 177.6° | 179.8° |
| C23 | C24 | C25 | C26 | 179.7° | 180.0° |
| C23 | C24 | C29 | C28 | 178.3° | 179.8° |
| C24 | C23 | N03 | H03 | 52.8° | 56.1° |
| C24 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | C24 | C25 | H25 | 0.3° | 0.0° |
| C23 | C24 | C29 | H29 | 1.7° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 3.3° | 0.0° |
| C25 | C24 | C29 | C28 | 0.6° | 0.4° |
| C25 | C24 | C23 | H231 | 55.8° | 30.1° |
| C25 | C24 | C23 | H232 | 176.9° | 150.1° |
| C24 | C25 | C26 | H26 | 176.7° | 180.0° |
| C25 | C24 | C29 | H29 | 179.4° | 179.8° |
| C29 | C24 | C25 | C26 | 2.1° | 0.2° |
| C24 | C29 | C28 | C27 | 0.2° | 0.4° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C29 | C24 | C23 | H231 | 126.6° | 149.7° |
| C29 | C24 | C23 | H232 | 5.5° | 29.7° |
| C29 | C24 | C25 | H25 | 177.9° | 179.8° |
| C24 | C29 | C28 | H28 | 179.8° | 179.8° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 3.0° | 0.0° |
| C25 | C26 | C27 | H27 | 177.0° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.4° | 0.2° |
| C27 | C26 | C25 | H25 | 176.7° | 180.0° |
| C26 | C27 | C28 | H28 | 178.6° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C28 | C27 | C26 | H26 | 176.9° | 180.0° |
| C27 | C28 | C29 | H29 | 179.8° | 179.8° |
| C29 | C28 | C27 | H27 | 178.6° | 179.8° |
| H03 | N03 | C04 | H041 | 82.9° | 63.9° |
| H03 | N03 | C04 | H042 | 157.1° | 176.1° |
| H03 | N03 | C04 | H043 | 37.1° | 56.1° |
| H03 | N03 | C23 | H231 | 67.2° | 176.1° |
| H03 | N03 | C23 | H232 | 171.7° | 63.9° |
| H041 | C04 | H042 | H043 | 120.0° | 119.9° |
| H25 | C25 | C26 | H26 | 3.3° | 0.0° |
| H26 | C26 | C27 | H27 | 3.1° | 0.1° |
| H27 | C27 | C28 | H28 | 1.4° | 0.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.0° |
