A1EB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | N11 | doub | 1.29Å | 1.37Å | Aromatic |
| N10 | C08 | sing | 1.35Å | 1.34Å | Aromatic |
| N11 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
| C09 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.26Å | |
| N12 | C07 | sing | 1.37Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.46Å | 1.45Å | |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.53Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | N10 | C08 | 108.2° | 110.2° |
| N10 | N11 | N12 | 108.0° | 109.5° |
| N10 | C08 | C09 | 132.3° | 133.1° |
| N10 | C08 | C07 | 107.7° | 107.6° |
| N11 | N12 | C07 | 107.7° | 106.6° |
| N11 | N12 | C13 | 125.7° | 126.7° |
| C09 | C08 | C07 | 120.1° | 119.4° |
| C08 | C09 | C04 | 120.0° | 119.5° |
| C08 | C09 | H091 | 120.0° | 120.2° |
| C08 | C07 | N12 | 108.4° | 106.1° |
| C08 | C07 | C06 | 119.8° | 120.3° |
| C09 | C04 | C02 | 119.8° | 119.9° |
| C09 | C04 | C05 | 120.0° | 120.3° |
| C04 | C09 | H091 | 120.0° | 120.2° |
| O03 | C02 | C04 | 120.0° | 120.0° |
| O03 | C02 | O01 | 120.0° | 120.0° |
| C07 | N12 | C13 | 126.6° | 126.7° |
| N12 | C07 | C06 | 131.8° | 133.6° |
| N12 | C13 | C15 | 109.9° | 109.5° |
| N12 | C13 | C14 | 109.7° | 109.4° |
| N12 | C13 | H131 | 108.9° | 109.5° |
| C07 | C06 | C05 | 120.1° | 120.1° |
| C07 | C06 | H061 | 119.9° | 120.0° |
| C02 | C04 | C05 | 120.2° | 119.8° |
| C04 | C02 | O01 | 120.1° | 120.0° |
| C04 | C05 | C06 | 120.1° | 120.4° |
| C04 | C05 | H051 | 119.9° | 119.8° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C15 | C13 | C14 | 112.4° | 109.5° |
| C15 | C13 | H131 | 108.0° | 109.5° |
| C13 | C15 | H152 | 109.5° | 109.4° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H153 | 109.4° | 109.5° |
| C14 | C13 | H131 | 107.9° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C06 | C05 | H051 | 120.0° | 119.8° |
| C05 | C06 | H061 | 120.0° | 119.9° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | N10 | C08 | C09 | 180.0° | 180.0° |
| N11 | N10 | C08 | C07 | 0.1° | 0.5° |
| N10 | N11 | N12 | C07 | 0.2° | 0.5° |
| N10 | N11 | N12 | C13 | 179.9° | 180.0° |
| C08 | N10 | N11 | N12 | 0.1° | 0.6° |
| N10 | C08 | C09 | C07 | 179.9° | 179.5° |
| N10 | C08 | C09 | C04 | 180.0° | 180.0° |
| N10 | C08 | C07 | N12 | 0.2° | 0.1° |
| N10 | C08 | C07 | C06 | 179.9° | 179.8° |
| N10 | C08 | C09 | H091 | 0.1° | 0.5° |
| N11 | N12 | C07 | C08 | 0.2° | 0.2° |
| N11 | N12 | C07 | C13 | 179.7° | 179.5° |
| N11 | N12 | C07 | C06 | 179.9° | 179.8° |
| N11 | N12 | C13 | C15 | 116.8° | 60.0° |
| N11 | N12 | C13 | C14 | 119.2° | 60.0° |
| N11 | N12 | C13 | H131 | 1.3° | 180.0° |
| C08 | C09 | C04 | H091 | 180.0° | 179.5° |
| C09 | C08 | C07 | N12 | 179.9° | 179.7° |
| C09 | C08 | C07 | C06 | 0.2° | 0.2° |
| C08 | C09 | C04 | C02 | 180.0° | 179.8° |
| C08 | C09 | C04 | C05 | 0.1° | 0.5° |
| C07 | C08 | C09 | C04 | 0.1° | 0.5° |
| C08 | C07 | N12 | C06 | 179.7° | 180.0° |
| C08 | C07 | N12 | C13 | 179.9° | 179.7° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H061 | 179.8° | 180.0° |
| C07 | C08 | C09 | H091 | 179.8° | 180.0° |
| C09 | C04 | C02 | O03 | 74.2° | 0.6° |
| C09 | C04 | C02 | C05 | 179.9° | 179.8° |
| C09 | C04 | C02 | O01 | 105.6° | 179.8° |
| C09 | C04 | C05 | C06 | 0.2° | 0.2° |
| C09 | C04 | C05 | H051 | 179.8° | 179.7° |
| O03 | C02 | C04 | O01 | 179.8° | 179.7° |
| O03 | C02 | C04 | C05 | 105.7° | 179.7° |
| O03 | C02 | O01 | H1 | 0.0° | 0.3° |
| C07 | N12 | C13 | C15 | 62.9° | 119.4° |
| C07 | N12 | C13 | C14 | 61.2° | 120.6° |
| N12 | C07 | C06 | C05 | 179.9° | 180.0° |
| N12 | C07 | C06 | H061 | 0.1° | 0.1° |
| C07 | N12 | C13 | H131 | 179.1° | 0.6° |
| C13 | N12 | C07 | C06 | 0.4° | 0.3° |
| N12 | C13 | C15 | C14 | 122.4° | 119.9° |
| N12 | C13 | C15 | H131 | 118.6° | 120.1° |
| N12 | C13 | C14 | H131 | 118.5° | 120.0° |
| N12 | C13 | C14 | H143 | 180.0° | 60.0° |
| N12 | C13 | C14 | H141 | 60.0° | 180.0° |
| N12 | C13 | C14 | H142 | 60.0° | 60.0° |
| N12 | C13 | C15 | H152 | 180.0° | 60.0° |
| N12 | C13 | C15 | H151 | 60.0° | 60.0° |
| N12 | C13 | C15 | H153 | 60.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.8° | 180.0° |
| C02 | C04 | C05 | C06 | 180.0° | 180.0° |
| C02 | C04 | C05 | H051 | 0.0° | 0.0° |
| C02 | C04 | C09 | H091 | 0.0° | 0.2° |
| C04 | C02 | O01 | H1 | 179.8° | 180.0° |
| C05 | C04 | C02 | O01 | 74.5° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C05 | C04 | C09 | H091 | 179.8° | 180.0° |
| C15 | C13 | C14 | H131 | 119.0° | 120.0° |
| C15 | C13 | C14 | H143 | 57.5° | 60.0° |
| C15 | C13 | C14 | H141 | 177.5° | 60.0° |
| C15 | C13 | C14 | H142 | 62.5° | 180.0° |
| C13 | C15 | H152 | H151 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C13 | C14 | H143 | H141 | 120.0° | 120.0° |
| C13 | C14 | H143 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 119.9° |
| C14 | C13 | C15 | H152 | 57.6° | 60.0° |
| C14 | C13 | C15 | H151 | 62.4° | 180.0° |
| C14 | C13 | C15 | H153 | 177.6° | 60.0° |
| H051 | C05 | C06 | H061 | 0.2° | 0.0° |
| H131 | C13 | C14 | H143 | 61.5° | 180.0° |
| H131 | C13 | C14 | H141 | 58.5° | 60.0° |
| H131 | C13 | C14 | H142 | 178.5° | 60.0° |
| H131 | C13 | C15 | H152 | 61.4° | 179.9° |
| H131 | C13 | C15 | H151 | 178.6° | 60.0° |
| H131 | C13 | C15 | H153 | 58.6° | 60.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.1° |
| H152 | C15 | H151 | H153 | 120.0° | 120.0° |
