UG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C05 | sing | 1.38Å | 1.45Å | |
| O03 | C02 | doub | 1.22Å | 1.18Å | |
| C12 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.36Å | Aromatic |
| C05 | N07 | sing | 1.37Å | 1.31Å | Aromatic |
| C02 | C04 | sing | 1.46Å | 1.53Å | |
| C02 | N01 | sing | 1.35Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N07 | sing | 1.40Å | 1.45Å | |
| C04 | N09 | sing | 1.36Å | 1.32Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.34Å | Aromatic |
| N09 | C08 | doub | 1.30Å | 1.34Å | Aromatic |
| C08 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| N06 | H8 | sing | 0.97Å | 1.00Å | |
| N06 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C05 | C04 | 125.8° | 126.8° |
| N06 | C05 | N07 | 126.5° | 126.8° |
| C05 | N06 | H8 | 109.5° | 120.0° |
| C05 | N06 | H9 | 109.5° | 120.1° |
| O03 | C02 | C04 | 119.6° | 120.0° |
| O03 | C02 | N01 | 120.1° | 120.0° |
| N13 | C12 | C11 | 121.0° | 120.9° |
| C12 | N13 | C14 | 121.4° | 121.8° |
| N13 | C12 | H3 | 119.5° | 119.6° |
| C12 | C11 | C10 | 119.7° | 119.1° |
| C12 | C11 | H2 | 120.2° | 120.5° |
| C11 | C12 | H3 | 119.5° | 119.6° |
| N13 | C14 | C15 | 120.5° | 120.9° |
| N13 | C14 | H4 | 119.7° | 119.5° |
| C11 | C10 | C15 | 117.3° | 118.3° |
| C11 | C10 | N07 | 121.6° | 120.8° |
| C10 | C11 | H2 | 120.2° | 120.5° |
| C04 | C05 | N07 | 107.8° | 106.4° |
| C05 | C04 | C02 | 125.9° | 126.4° |
| C05 | C04 | N09 | 108.1° | 107.3° |
| C05 | N07 | C10 | 126.5° | 126.2° |
| C05 | N07 | C08 | 108.3° | 107.6° |
| C04 | C02 | N01 | 120.3° | 120.1° |
| C02 | C04 | N09 | 126.0° | 126.3° |
| C02 | N01 | H6 | 120.0° | 120.0° |
| C02 | N01 | H7 | 120.0° | 120.1° |
| C14 | C15 | C10 | 120.2° | 119.1° |
| C15 | C14 | H4 | 119.8° | 119.6° |
| C14 | C15 | H5 | 119.9° | 120.4° |
| C15 | C10 | N07 | 121.1° | 120.8° |
| C10 | C15 | H5 | 119.9° | 120.5° |
| C10 | N07 | C08 | 125.1° | 126.2° |
| C04 | N09 | C08 | 107.7° | 109.3° |
| N07 | C08 | N09 | 108.1° | 109.5° |
| N07 | C08 | H1 | 125.9° | 125.2° |
| N09 | C08 | H1 | 126.0° | 125.3° |
| H6 | N01 | H7 | 120.0° | 120.0° |
| H8 | N06 | H9 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C05 | C04 | N07 | 179.4° | 179.9° |
| N06 | C05 | C04 | C02 | 0.6° | 0.1° |
| N06 | C05 | N07 | C10 | 0.4° | 0.1° |
| N06 | C05 | C04 | N09 | 179.9° | 179.7° |
| N06 | C05 | N07 | C08 | 179.9° | 180.0° |
| C05 | N06 | H8 | H9 | 120.0° | 180.0° |
| O03 | C02 | C04 | C05 | 13.3° | 0.1° |
| O03 | C02 | C04 | N01 | 179.9° | 179.7° |
| O03 | C02 | C04 | N09 | 166.2° | 179.7° |
| O03 | C02 | N01 | H6 | 0.0° | 179.7° |
| O03 | C02 | N01 | H7 | 180.0° | 0.3° |
| N13 | C12 | C11 | H3 | 180.0° | 179.9° |
| N13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | N13 | C14 | C15 | 0.3° | 0.5° |
| N13 | C12 | C11 | H2 | 179.8° | 179.9° |
| C12 | N13 | C14 | H4 | 179.7° | 179.9° |
| C11 | C12 | N13 | C14 | 0.2° | 0.2° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.6° | 0.1° |
| C12 | C11 | C10 | N07 | 179.6° | 179.7° |
| N13 | C14 | C15 | H4 | 180.0° | 179.4° |
| N13 | C14 | C15 | C10 | 0.1° | 0.5° |
| C14 | N13 | C12 | H3 | 179.8° | 179.7° |
| N13 | C14 | C15 | H5 | 179.9° | 179.4° |
| C11 | C10 | N07 | C05 | 48.1° | 49.7° |
| C11 | C10 | C15 | C14 | 0.6° | 0.2° |
| C11 | C10 | C15 | N07 | 179.0° | 179.8° |
| C11 | C10 | N07 | C08 | 132.2° | 130.2° |
| C10 | C11 | C12 | H3 | 179.8° | 180.0° |
| C11 | C10 | C15 | H5 | 179.4° | 179.7° |
| C05 | C04 | C02 | N09 | 179.5° | 179.8° |
| C05 | C04 | C02 | N01 | 166.7° | 179.7° |
| C04 | C05 | N07 | C10 | 179.8° | 180.0° |
| C04 | C05 | N07 | C08 | 0.5° | 0.1° |
| C05 | C04 | N09 | C08 | 0.3° | 0.4° |
| C04 | C05 | N06 | H8 | 180.0° | 0.1° |
| C04 | C05 | N06 | H9 | 60.0° | 179.9° |
| N07 | C05 | C04 | C02 | 180.0° | 180.0° |
| C05 | N07 | C10 | C15 | 133.0° | 130.1° |
| C05 | N07 | C10 | C08 | 179.7° | 179.9° |
| N07 | C05 | C04 | N09 | 0.5° | 0.2° |
| C05 | N07 | C08 | N09 | 0.3° | 0.3° |
| C05 | N07 | C08 | H1 | 179.7° | 180.0° |
| N07 | C05 | N06 | H8 | 0.7° | 180.0° |
| N07 | C05 | N06 | H9 | 120.7° | 0.1° |
| C02 | C04 | N09 | C08 | 179.8° | 179.8° |
| C04 | C02 | N01 | H6 | 180.0° | 0.0° |
| C04 | C02 | N01 | H7 | 0.1° | 180.0° |
| N01 | C02 | C04 | N09 | 13.8° | 0.1° |
| C02 | N01 | H6 | H7 | 180.0° | 180.0° |
| C14 | C15 | C10 | H5 | 180.0° | 179.9° |
| C14 | C15 | C10 | N07 | 179.6° | 180.0° |
| C15 | C10 | N07 | C08 | 46.7° | 50.0° |
| C15 | C10 | C11 | H2 | 179.4° | 179.9° |
| C10 | C15 | C14 | H4 | 179.8° | 179.9° |
| C10 | N07 | C08 | N09 | 179.9° | 179.8° |
| C10 | N07 | C08 | H1 | 0.1° | 0.1° |
| N07 | C10 | C11 | H2 | 0.4° | 0.2° |
| N07 | C10 | C15 | H5 | 0.4° | 0.1° |
| C04 | N09 | C08 | N07 | 0.0° | 0.4° |
| C04 | N09 | C08 | H1 | 180.0° | 179.9° |
| N07 | C08 | N09 | H1 | 180.0° | 179.7° |
| H2 | C11 | C12 | H3 | 0.2° | 0.1° |
| H4 | C14 | C15 | H5 | 0.1° | 0.0° |
