D8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C05 | sing | 1.52Å | 1.42Å | |
| C01 | C02 | sing | 1.55Å | 1.48Å | |
| C05 | N04 | doub | 1.28Å | 1.45Å | |
| C11 | C10 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
| C02 | C06 | sing | 1.51Å | 1.49Å | |
| C02 | O03 | sing | 1.44Å | 1.47Å | |
| C10 | C09 | sing | 1.39Å | 1.53Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.53Å | Aromatic |
| N04 | O03 | sing | 1.41Å | 1.48Å | |
| C09 | N12 | sing | 1.40Å | 1.45Å | |
| C09 | C08 | doub | 1.39Å | 1.53Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.53Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.45Å | |
| C13 | O14 | doub | 1.21Å | 1.19Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C01 | C02 | 105.4° | 102.5° |
| C01 | C05 | N04 | 107.4° | 108.5° |
| C05 | C01 | H012 | 110.5° | 110.8° |
| C05 | C01 | H011 | 110.5° | 110.8° |
| C01 | C05 | H1 | 126.3° | 125.8° |
| C01 | C02 | C06 | 111.0° | 111.0° |
| C01 | C02 | O03 | 104.9° | 101.5° |
| C02 | C01 | H012 | 110.5° | 110.8° |
| C02 | C01 | H011 | 110.5° | 110.8° |
| C01 | C02 | H021 | 110.0° | 111.0° |
| C05 | N04 | O03 | 107.7° | 113.2° |
| N04 | C05 | H1 | 126.3° | 125.8° |
| C10 | C11 | C06 | 120.0° | 120.1° |
| C11 | C10 | C09 | 120.1° | 119.9° |
| C11 | C10 | H101 | 120.0° | 120.0° |
| C10 | C11 | H111 | 120.0° | 119.9° |
| C11 | C06 | C02 | 120.0° | 119.9° |
| C11 | C06 | C07 | 119.9° | 120.2° |
| C06 | C11 | H111 | 120.0° | 120.0° |
| C06 | C02 | O03 | 110.8° | 111.0° |
| C02 | C06 | C07 | 120.2° | 119.9° |
| C06 | C02 | H021 | 109.9° | 110.9° |
| C02 | O03 | N04 | 105.2° | 107.5° |
| O03 | C02 | H021 | 110.1° | 111.1° |
| C10 | C09 | N12 | 120.0° | 120.0° |
| C10 | C09 | C08 | 119.9° | 119.8° |
| C09 | C10 | H101 | 120.0° | 120.1° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C06 | C07 | H071 | 120.0° | 120.0° |
| N12 | C09 | C08 | 120.1° | 120.1° |
| C09 | N12 | C13 | 120.2° | 120.0° |
| C09 | N12 | H121 | 119.9° | 120.0° |
| C09 | C08 | C07 | 120.1° | 120.0° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C07 | H071 | 120.0° | 120.0° |
| C07 | C08 | H081 | 120.0° | 120.1° |
| N12 | C13 | O14 | 120.0° | 120.0° |
| N12 | C13 | C15 | 119.8° | 119.9° |
| C13 | N12 | H121 | 119.9° | 120.0° |
| O14 | C13 | C15 | 120.2° | 120.0° |
| C13 | C15 | H152 | 109.5° | 109.5° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H153 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 110.9° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C01 | C02 | H012 | 119.4° | 118.2° |
| C05 | C01 | C02 | H011 | 119.4° | 118.2° |
| C01 | C05 | N04 | H1 | 180.0° | 180.0° |
| C05 | C01 | C02 | C06 | 151.0° | 142.0° |
| C05 | C01 | C02 | O03 | 31.2° | 23.9° |
| C01 | C05 | N04 | O03 | 12.3° | 0.3° |
| C05 | C01 | H012 | H011 | 121.9° | 123.5° |
| C05 | C01 | C02 | H021 | 87.2° | 94.2° |
| C02 | C01 | C05 | N04 | 26.9° | 15.3° |
| C01 | C02 | C06 | C11 | 109.9° | 80.2° |
| C01 | C02 | C06 | O03 | 116.1° | 112.2° |
| C01 | C02 | C06 | H021 | 121.9° | 123.9° |
| C01 | C02 | O03 | H021 | 118.3° | 118.1° |
| C01 | C02 | C06 | C07 | 70.2° | 100.0° |
| C01 | C02 | O03 | N04 | 23.2° | 25.1° |
| C02 | C01 | H012 | H011 | 121.9° | 123.5° |
| C02 | C01 | C05 | H1 | 153.1° | 164.7° |
| C05 | N04 | O03 | C02 | 7.3° | 17.4° |
| N04 | C05 | C01 | H012 | 92.4° | 133.5° |
| N04 | C05 | C01 | H011 | 146.3° | 103.0° |
| C10 | C11 | C06 | H111 | 180.0° | 179.6° |
| C10 | C11 | C06 | C02 | 180.0° | 179.7° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C10 | C11 | C06 | C07 | 0.1° | 0.5° |
| C11 | C10 | C09 | N12 | 179.9° | 179.8° |
| C11 | C10 | C09 | C08 | 0.2° | 0.3° |
| C11 | C06 | C02 | C07 | 179.9° | 179.8° |
| C11 | C06 | C02 | O03 | 133.9° | 31.9° |
| C06 | C11 | C10 | C09 | 0.1° | 0.5° |
| C11 | C06 | C07 | C08 | 0.1° | 0.3° |
| C11 | C06 | C02 | H021 | 12.0° | 155.9° |
| C11 | C06 | C07 | H071 | 179.9° | 179.8° |
| C06 | C11 | C10 | H101 | 179.9° | 179.8° |
| C06 | C02 | O03 | H021 | 121.8° | 123.8° |
| C06 | C02 | O03 | N04 | 143.1° | 143.2° |
| C02 | C06 | C07 | C08 | 180.0° | 180.0° |
| C06 | C02 | C01 | H012 | 31.6° | 99.8° |
| C06 | C02 | C01 | H011 | 89.7° | 23.8° |
| C02 | C06 | C07 | H071 | 0.0° | 0.0° |
| C02 | C06 | C11 | H111 | 0.1° | 0.1° |
| O03 | C02 | C06 | C07 | 45.9° | 147.9° |
| O03 | C02 | C01 | H012 | 88.1° | 142.2° |
| O03 | C02 | C01 | H011 | 150.6° | 94.3° |
| C10 | C09 | N12 | C08 | 179.6° | 179.9° |
| C10 | C09 | C08 | C07 | 0.3° | 0.1° |
| C10 | C09 | N12 | C13 | 122.4° | 146.7° |
| C10 | C09 | C08 | H081 | 179.7° | 180.0° |
| C09 | C10 | C11 | H111 | 179.9° | 179.9° |
| C10 | C09 | N12 | H121 | 57.5° | 33.2° |
| C06 | C07 | C08 | C09 | 0.2° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C06 | C02 | H021 | 167.9° | 23.9° |
| C06 | C07 | C08 | H081 | 179.8° | 180.0° |
| C07 | C06 | C11 | H111 | 179.9° | 179.9° |
| N04 | O03 | C02 | H021 | 95.1° | 93.0° |
| O03 | N04 | C05 | H1 | 167.7° | 179.7° |
| N12 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | N12 | C13 | H121 | 180.0° | 180.0° |
| C09 | N12 | C13 | O14 | 0.2° | 5.2° |
| C09 | N12 | C13 | C15 | 180.0° | 174.7° |
| N12 | C09 | C08 | H081 | 0.1° | 0.0° |
| N12 | C09 | C10 | H101 | 0.1° | 0.1° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | C09 | N12 | C13 | 57.9° | 33.3° |
| C09 | C08 | C07 | H071 | 179.8° | 180.0° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| C08 | C09 | N12 | H121 | 122.1° | 146.7° |
| N12 | C13 | O14 | C15 | 179.8° | 180.0° |
| N12 | C13 | C15 | H152 | 179.8° | 90.0° |
| N12 | C13 | C15 | H151 | 59.8° | 30.0° |
| N12 | C13 | C15 | H153 | 60.2° | 150.0° |
| O14 | C13 | C15 | H152 | 0.0° | 90.0° |
| O14 | C13 | C15 | H151 | 120.0° | 150.0° |
| O14 | C13 | C15 | H153 | 120.0° | 30.0° |
| O14 | C13 | N12 | H121 | 179.9° | 174.7° |
| C13 | C15 | H152 | H151 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C15 | C13 | N12 | H121 | 0.0° | 5.3° |
| H012 | C01 | C02 | H021 | 153.5° | 24.0° |
| H012 | C01 | C05 | H1 | 87.5° | 46.5° |
| H011 | C01 | C02 | H021 | 32.2° | 147.6° |
| H011 | C01 | C05 | H1 | 33.7° | 77.1° |
| H071 | C07 | C08 | H081 | 0.2° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.2° |
| H152 | C15 | H151 | H153 | 120.0° | 119.9° |
