JDN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | B02 | sing | 1.42Å | 1.41Å | |
| O01 | B02 | sing | 1.42Å | 1.42Å | |
| B02 | C04 | sing | 1.57Å | 1.63Å | |
| C04 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.36Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | C12 | sing | 1.47Å | 1.44Å | Aromatic |
| C07 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.34Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.33Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | B02 | O01 | 117.6° | 120.0° |
| O03 | B02 | C04 | 115.6° | 120.0° |
| B02 | O03 | H2 | 109.5° | 114.0° |
| O01 | B02 | C04 | 115.7° | 120.0° |
| B02 | O01 | H1 | 109.5° | 114.0° |
| B02 | C04 | C09 | 118.8° | 120.0° |
| B02 | C04 | C05 | 119.9° | 120.0° |
| C09 | C04 | C05 | 121.3° | 120.1° |
| C04 | C09 | C08 | 120.0° | 120.7° |
| C04 | C09 | H5 | 120.0° | 119.7° |
| C04 | C05 | C06 | 118.7° | 119.4° |
| C04 | C05 | H3 | 120.6° | 120.2° |
| C09 | C08 | C07 | 119.3° | 120.2° |
| C09 | C08 | H4 | 120.3° | 119.9° |
| C08 | C09 | H5 | 120.0° | 119.6° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C05 | C06 | C12 | 134.6° | 134.0° |
| C06 | C05 | H3 | 120.7° | 120.3° |
| C08 | C07 | C06 | 120.7° | 119.6° |
| C08 | C07 | N10 | 130.5° | 133.3° |
| C07 | C08 | H4 | 120.4° | 119.9° |
| C07 | C06 | C12 | 105.3° | 106.0° |
| C06 | C07 | N10 | 108.8° | 107.1° |
| C06 | C12 | C11 | 107.4° | 106.9° |
| C06 | C12 | H8 | 126.3° | 126.5° |
| C07 | N10 | C11 | 110.5° | 110.0° |
| C07 | N10 | H6 | 124.8° | 125.0° |
| C12 | C11 | N10 | 107.9° | 109.9° |
| C12 | C11 | H7 | 126.1° | 125.1° |
| C11 | C12 | H8 | 126.3° | 126.5° |
| C11 | N10 | H6 | 124.7° | 125.0° |
| N10 | C11 | H7 | 126.0° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | B02 | O01 | C04 | 142.5° | 179.9° |
| O03 | B02 | C04 | C09 | 17.3° | 180.0° |
| O03 | B02 | C04 | C05 | 160.9° | 0.3° |
| O03 | B02 | O01 | H1 | 180.0° | 0.1° |
| O01 | B02 | C04 | C09 | 160.6° | 0.0° |
| O01 | B02 | C04 | C05 | 17.7° | 179.8° |
| O01 | B02 | O03 | H2 | 180.0° | 0.1° |
| B02 | C04 | C09 | C05 | 178.3° | 179.7° |
| B02 | C04 | C09 | C08 | 179.0° | 179.8° |
| B02 | C04 | C05 | C06 | 179.0° | 180.0° |
| C04 | B02 | O01 | H1 | 37.5° | 180.0° |
| C04 | B02 | O03 | H2 | 37.4° | 180.0° |
| B02 | C04 | C05 | H3 | 1.1° | 0.1° |
| B02 | C04 | C09 | H5 | 1.0° | 0.0° |
| C04 | C09 | C08 | H5 | 180.0° | 179.8° |
| C09 | C04 | C05 | C06 | 0.7° | 0.2° |
| C04 | C09 | C08 | C07 | 0.3° | 0.5° |
| C09 | C04 | C05 | H3 | 179.3° | 179.8° |
| C04 | C09 | C08 | H4 | 179.7° | 179.7° |
| C05 | C04 | C09 | C08 | 0.7° | 0.5° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.0° |
| C04 | C05 | C06 | C12 | 179.7° | 180.0° |
| C05 | C04 | C09 | H5 | 179.3° | 179.7° |
| C09 | C08 | C07 | H4 | 180.0° | 179.8° |
| C09 | C08 | C07 | C06 | 0.1° | 0.2° |
| C09 | C08 | C07 | N10 | 179.8° | 179.8° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | C12 | 180.0° | 180.0° |
| C05 | C06 | C07 | N10 | 179.8° | 180.0° |
| C05 | C06 | C12 | C11 | 180.0° | 180.0° |
| C05 | C06 | C12 | H8 | 0.0° | 0.1° |
| C08 | C07 | C06 | N10 | 179.8° | 180.0° |
| C08 | C07 | C06 | C12 | 179.9° | 180.0° |
| C08 | C07 | N10 | C11 | 180.0° | 180.0° |
| C07 | C08 | C09 | H5 | 179.7° | 179.7° |
| C08 | C07 | N10 | H6 | 0.0° | 0.0° |
| C07 | C06 | C12 | C11 | 0.0° | 0.0° |
| C06 | C07 | N10 | C11 | 0.3° | 0.0° |
| C07 | C06 | C05 | H3 | 179.7° | 180.0° |
| C06 | C07 | C08 | H4 | 179.9° | 180.0° |
| C06 | C07 | N10 | H6 | 179.7° | 180.0° |
| C07 | C06 | C12 | H8 | 179.9° | 180.0° |
| C12 | C06 | C07 | N10 | 0.1° | 0.0° |
| C06 | C12 | C11 | H8 | 180.0° | 180.0° |
| C06 | C12 | C11 | N10 | 0.2° | 0.0° |
| C12 | C06 | C05 | H3 | 0.3° | 0.0° |
| C06 | C12 | C11 | H7 | 179.8° | 180.0° |
| C07 | N10 | C11 | C12 | 0.3° | 0.0° |
| C07 | N10 | C11 | H6 | 180.0° | 180.0° |
| N10 | C07 | C08 | H4 | 0.2° | 0.0° |
| C07 | N10 | C11 | H7 | 179.7° | 180.0° |
| C12 | C11 | N10 | H7 | 180.0° | 180.0° |
| C12 | C11 | N10 | H6 | 179.7° | 180.0° |
| N10 | C11 | C12 | H8 | 179.8° | 180.0° |
| H4 | C08 | C09 | H5 | 0.3° | 0.1° |
| H6 | N10 | C11 | H7 | 0.3° | 0.0° |
| H7 | C11 | C12 | H8 | 0.2° | 0.1° |
