W6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.18Å | |
| C11 | C10 | doub | 1.35Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.41Å | Aromatic |
| C10 | N09 | sing | 1.36Å | 1.32Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.54Å | |
| C02 | N01 | sing | 1.35Å | 1.43Å | |
| C12 | C04 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C08 | sing | 1.41Å | 1.37Å | Aromatic |
| N09 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C04 | 122.7° | 120.0° |
| O03 | C02 | N01 | 119.0° | 120.0° |
| C10 | C11 | C12 | 107.5° | 107.0° |
| C11 | C10 | N09 | 107.9° | 109.9° |
| C11 | C10 | H101 | 126.1° | 125.0° |
| C10 | C11 | H111 | 126.2° | 126.5° |
| C11 | C12 | C04 | 134.0° | 134.1° |
| C11 | C12 | C08 | 106.4° | 106.2° |
| C12 | C11 | H111 | 126.3° | 126.5° |
| C10 | N09 | C08 | 110.5° | 109.9° |
| N09 | C10 | H101 | 126.0° | 125.1° |
| C10 | N09 | H091 | 124.8° | 125.1° |
| C04 | C02 | N01 | 118.3° | 120.0° |
| C02 | C04 | C12 | 120.3° | 120.4° |
| C02 | C04 | C05 | 119.9° | 120.3° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.0° |
| C04 | C12 | C08 | 119.7° | 119.8° |
| C12 | C04 | C05 | 119.8° | 119.3° |
| C12 | C08 | N09 | 107.7° | 107.0° |
| C12 | C08 | C07 | 120.2° | 119.6° |
| N09 | C08 | C07 | 132.1° | 133.4° |
| C08 | N09 | H091 | 124.7° | 125.0° |
| C04 | C05 | C06 | 120.4° | 120.2° |
| C04 | C05 | H051 | 119.8° | 119.9° |
| C08 | C07 | C06 | 120.5° | 120.3° |
| C08 | C07 | H071 | 119.7° | 119.9° |
| C05 | C06 | C07 | 119.4° | 120.8° |
| C06 | C05 | H051 | 119.8° | 119.8° |
| C05 | C06 | H061 | 120.3° | 119.6° |
| C07 | C06 | H061 | 120.3° | 119.6° |
| C06 | C07 | H071 | 119.8° | 119.8° |
| H012 | N01 | H011 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | N01 | 180.0° | 180.0° |
| O03 | C02 | C04 | C12 | 35.1° | 0.0° |
| O03 | C02 | C04 | C05 | 144.9° | 180.0° |
| O03 | C02 | N01 | H012 | 0.0° | 180.0° |
| O03 | C02 | N01 | H011 | 180.0° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C11 | C10 | N09 | H101 | 180.0° | 179.9° |
| C10 | C11 | C12 | C04 | 179.7° | 180.0° |
| C10 | C11 | C12 | C08 | 0.2° | 0.1° |
| C11 | C10 | N09 | C08 | 0.0° | 0.0° |
| C11 | C10 | N09 | H091 | 179.9° | 179.8° |
| C12 | C11 | C10 | N09 | 0.2° | 0.1° |
| C11 | C12 | C04 | C02 | 0.7° | 0.1° |
| C11 | C12 | C04 | C08 | 179.4° | 179.9° |
| C11 | C12 | C08 | N09 | 0.2° | 0.0° |
| C11 | C12 | C04 | C05 | 179.3° | 179.9° |
| C11 | C12 | C08 | C07 | 179.5° | 180.0° |
| C12 | C11 | C10 | H101 | 179.8° | 179.8° |
| C10 | N09 | C08 | C12 | 0.1° | 0.0° |
| C10 | N09 | C08 | H091 | 180.0° | 179.7° |
| C10 | N09 | C08 | C07 | 179.5° | 180.0° |
| N09 | C10 | C11 | H111 | 179.8° | 180.0° |
| C02 | C04 | C12 | C05 | 180.0° | 180.0° |
| C02 | C04 | C12 | C08 | 179.9° | 180.0° |
| C02 | C04 | C05 | C06 | 179.9° | 180.0° |
| C02 | C04 | C05 | H051 | 0.1° | 0.0° |
| C04 | C02 | N01 | H012 | 180.0° | 0.0° |
| C04 | C02 | N01 | H011 | 0.0° | 180.0° |
| N01 | C02 | C04 | C12 | 144.9° | 180.0° |
| N01 | C02 | C04 | C05 | 35.1° | 0.0° |
| C02 | N01 | H012 | H011 | 180.0° | 180.0° |
| C04 | C12 | C08 | N09 | 179.7° | 180.0° |
| C04 | C12 | C08 | C07 | 0.0° | 0.0° |
| C12 | C04 | C05 | C06 | 0.1° | 0.0° |
| C12 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C12 | C11 | H111 | 0.3° | 0.1° |
| C12 | C08 | N09 | C07 | 179.6° | 180.0° |
| C08 | C12 | C04 | C05 | 0.1° | 0.0° |
| C12 | C08 | C07 | C06 | 0.0° | 0.0° |
| C12 | C08 | C07 | H071 | 180.0° | 179.9° |
| C08 | C12 | C11 | H111 | 179.8° | 180.0° |
| C12 | C08 | N09 | H091 | 179.9° | 179.7° |
| N09 | C08 | C07 | C06 | 179.6° | 180.0° |
| C08 | N09 | C10 | H101 | 180.0° | 179.8° |
| N09 | C08 | C07 | H071 | 0.4° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H061 | 179.9° | 179.9° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | H061 | 179.9° | 179.9° |
| C07 | C08 | N09 | H091 | 0.4° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | H071 | 179.9° | 179.9° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| H101 | C10 | C11 | H111 | 0.2° | 0.1° |
| H101 | C10 | N09 | H091 | 0.1° | 0.1° |
| H051 | C05 | C06 | H061 | 0.1° | 0.1° |
| H061 | C06 | C07 | H071 | 0.1° | 0.0° |
