DY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR2 | C11 | sing | 1.89Å | 1.97Å | |
| BR9 | C08 | sing | 1.89Å | 1.97Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.43Å | Aromatic |
| C06 | N05 | sing | 1.40Å | 1.47Å | |
| N05 | C04 | sing | 1.39Å | 1.43Å | |
| N03 | C04 | doub | 1.33Å | 1.38Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.38Å | Aromatic |
| C04 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.32Å | |
| C02 | N17 | doub | 1.33Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.34Å | Aromatic |
| N17 | C15 | sing | 1.33Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR2 | C11 | C10 | 119.9° | 119.9° |
| BR2 | C11 | C13 | 117.9° | 120.0° |
| BR9 | C08 | C10 | 119.7° | 120.0° |
| BR9 | C08 | C07 | 118.1° | 120.0° |
| C11 | C10 | C08 | 117.6° | 120.1° |
| C10 | C11 | C13 | 122.2° | 120.1° |
| C11 | C10 | H101 | 121.2° | 120.0° |
| C10 | C08 | C07 | 122.2° | 120.1° |
| C08 | C10 | H101 | 121.2° | 119.9° |
| C11 | C13 | C06 | 120.4° | 119.9° |
| C11 | C13 | H131 | 119.8° | 120.0° |
| C08 | C07 | C06 | 120.5° | 119.9° |
| C08 | C07 | H071 | 119.8° | 120.0° |
| C13 | C06 | C07 | 117.1° | 119.9° |
| C13 | C06 | N05 | 122.1° | 120.1° |
| C06 | C13 | H131 | 119.8° | 120.0° |
| C07 | C06 | N05 | 120.9° | 120.0° |
| C06 | C07 | H071 | 119.7° | 120.1° |
| C06 | N05 | C04 | 125.3° | 119.9° |
| C06 | N05 | H051 | 117.4° | 120.1° |
| N05 | C04 | N03 | 121.5° | 120.5° |
| N05 | C04 | C14 | 125.2° | 120.5° |
| C04 | N05 | H051 | 117.3° | 120.0° |
| C04 | N03 | C02 | 123.7° | 120.6° |
| N03 | C04 | C14 | 113.3° | 119.0° |
| N03 | C02 | N01 | 124.2° | 119.2° |
| N03 | C02 | N17 | 121.0° | 121.6° |
| C04 | C14 | C15 | 126.7° | 118.5° |
| C04 | C14 | H141 | 116.6° | 120.8° |
| N01 | C02 | N17 | 114.9° | 119.1° |
| C02 | N01 | H011 | 120.0° | 120.0° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | N17 | C15 | 115.9° | 120.9° |
| C02 | N17 | H171 | 122.0° | 119.6° |
| C14 | C15 | N17 | 119.4° | 119.3° |
| C14 | C15 | C16 | 130.2° | 120.4° |
| C15 | C14 | H141 | 116.7° | 120.8° |
| N17 | C15 | C16 | 110.4° | 120.3° |
| C15 | N17 | H171 | 122.1° | 119.5° |
| C15 | C16 | H162 | 109.5° | 109.4° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| H011 | N01 | H012 | 120.0° | 119.9° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR2 | C11 | C10 | C13 | 180.0° | 179.7° |
| BR2 | C11 | C10 | C08 | 179.9° | 179.7° |
| BR2 | C11 | C13 | C06 | 179.9° | 179.7° |
| BR2 | C11 | C10 | H101 | 0.1° | 0.3° |
| BR2 | C11 | C13 | H131 | 0.1° | 0.3° |
| BR9 | C08 | C10 | C11 | 179.9° | 180.0° |
| BR9 | C08 | C10 | C07 | 180.0° | 180.0° |
| BR9 | C08 | C07 | C06 | 179.9° | 179.9° |
| BR9 | C08 | C10 | H101 | 0.1° | 0.1° |
| BR9 | C08 | C07 | H071 | 0.1° | 0.0° |
| C11 | C10 | C08 | H101 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 0.1° | 0.0° |
| C10 | C11 | C13 | C06 | 0.1° | 0.0° |
| C10 | C11 | C13 | H131 | 179.8° | 180.0° |
| C08 | C10 | C11 | C13 | 0.1° | 0.0° |
| C10 | C08 | C07 | C06 | 0.1° | 0.0° |
| C10 | C08 | C07 | H071 | 179.9° | 179.9° |
| C11 | C13 | C06 | H131 | 180.0° | 179.9° |
| C11 | C13 | C06 | C07 | 0.3° | 0.0° |
| C11 | C13 | C06 | N05 | 179.1° | 180.0° |
| C13 | C11 | C10 | H101 | 179.9° | 180.0° |
| C08 | C07 | C06 | C13 | 0.3° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | N05 | 179.1° | 179.9° |
| C07 | C08 | C10 | H101 | 179.9° | 180.0° |
| C13 | C06 | C07 | N05 | 178.8° | 180.0° |
| C13 | C06 | N05 | C04 | 131.2° | 32.8° |
| C13 | C06 | N05 | H051 | 48.8° | 147.2° |
| C13 | C06 | C07 | H071 | 179.7° | 179.9° |
| C07 | C06 | N05 | C04 | 47.5° | 147.2° |
| C07 | C06 | N05 | H051 | 132.5° | 32.8° |
| C07 | C06 | C13 | H131 | 179.7° | 179.9° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | N03 | 29.1° | 5.9° |
| C06 | N05 | C04 | C14 | 151.6° | 174.3° |
| N05 | C06 | C07 | H071 | 0.9° | 0.0° |
| N05 | C06 | C13 | H131 | 0.9° | 0.1° |
| N05 | C04 | N03 | C14 | 179.3° | 179.8° |
| N05 | C04 | N03 | C02 | 179.4° | 180.0° |
| N05 | C04 | C14 | C15 | 179.4° | 179.8° |
| N05 | C04 | C14 | H141 | 0.6° | 0.3° |
| C04 | N03 | C02 | N01 | 179.9° | 179.8° |
| C04 | N03 | C02 | N17 | 0.2° | 0.3° |
| N03 | C04 | C14 | C15 | 0.1° | 0.0° |
| N03 | C04 | C14 | H141 | 179.9° | 179.9° |
| N03 | C04 | N05 | H051 | 150.9° | 174.0° |
| C02 | N03 | C04 | C14 | 0.1° | 0.2° |
| N03 | C02 | N01 | N17 | 179.9° | 179.9° |
| N03 | C02 | N17 | C15 | 0.2° | 0.0° |
| N03 | C02 | N01 | H011 | 0.0° | 179.9° |
| N03 | C02 | N01 | H012 | 180.0° | 0.0° |
| N03 | C02 | N17 | H171 | 179.8° | 180.0° |
| C04 | C14 | C15 | H141 | 180.0° | 180.0° |
| C04 | C14 | C15 | N17 | 0.1° | 0.3° |
| C04 | C14 | C15 | C16 | 179.7° | 179.9° |
| C14 | C04 | N05 | H051 | 28.4° | 5.8° |
| N01 | C02 | N17 | C15 | 179.9° | 180.0° |
| C02 | N01 | H011 | H012 | 180.0° | 180.0° |
| N01 | C02 | N17 | H171 | 0.1° | 0.1° |
| C02 | N17 | C15 | C14 | 0.1° | 0.2° |
| C02 | N17 | C15 | H171 | 180.0° | 179.9° |
| C02 | N17 | C15 | C16 | 179.7° | 179.9° |
| N17 | C02 | N01 | H011 | 179.9° | 0.0° |
| N17 | C02 | N01 | H012 | 0.1° | 180.0° |
| C14 | C15 | N17 | C16 | 179.8° | 179.7° |
| C14 | C15 | C16 | H162 | 89.8° | 90.1° |
| C14 | C15 | C16 | H161 | 150.2° | 150.0° |
| C14 | C15 | C16 | H163 | 30.1° | 30.0° |
| C14 | C15 | N17 | H171 | 179.8° | 179.7° |
| N17 | C15 | C14 | H141 | 179.9° | 179.7° |
| N17 | C15 | C16 | H162 | 90.0° | 90.3° |
| N17 | C15 | C16 | H161 | 30.1° | 29.7° |
| N17 | C15 | C16 | H163 | 150.1° | 149.7° |
| C16 | C15 | C14 | H141 | 0.3° | 0.1° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C16 | C15 | N17 | H171 | 0.4° | 0.0° |
| H162 | C16 | H161 | H163 | 120.0° | 120.0° |
