DB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.29Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.36Å | 1.36Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O7 | C19 | doub | 1.22Å | 1.26Å | |
| N1 | C19 | sing | 1.35Å | 1.38Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C1 | C4 | doub | 1.39Å | 1.49Å | Aromatic |
| C1 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C10 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C13 | C16 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C16 | C19 | sing | 1.47Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 115.8° | 106.8° |
| O1 | C1 | C4 | 115.7° | 120.2° |
| O1 | C1 | C16 | 123.4° | 120.2° |
| C4 | O4 | HO4 | 116.1° | 106.8° |
| O4 | C4 | C1 | 116.2° | 120.0° |
| O4 | C4 | C7 | 124.9° | 120.0° |
| O7 | C19 | N1 | 121.3° | 120.0° |
| O7 | C19 | C16 | 121.6° | 120.0° |
| C19 | N1 | HN11 | 121.3° | 120.0° |
| C19 | N1 | HN12 | 117.1° | 120.0° |
| N1 | C19 | C16 | 117.1° | 120.0° |
| HN11 | N1 | HN12 | 121.6° | 120.0° |
| C4 | C1 | C16 | 120.9° | 119.7° |
| C1 | C4 | C7 | 118.9° | 120.0° |
| C1 | C16 | C13 | 118.1° | 119.6° |
| C1 | C16 | C19 | 120.8° | 120.2° |
| C4 | C7 | C10 | 119.7° | 120.3° |
| C4 | C7 | H7 | 119.3° | 119.9° |
| C10 | C7 | H7 | 121.0° | 119.8° |
| C7 | C10 | C13 | 122.6° | 120.3° |
| C7 | C10 | H10 | 118.3° | 119.8° |
| C13 | C10 | H10 | 119.1° | 119.8° |
| C10 | C13 | C16 | 119.7° | 120.0° |
| C10 | C13 | H13 | 119.8° | 120.0° |
| C16 | C13 | H13 | 120.5° | 119.9° |
| C13 | C16 | C19 | 121.1° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C4 | O4 | 0.3° | 0.2° |
| O1 | C1 | C4 | C16 | 180.0° | 179.6° |
| O1 | C1 | C4 | C7 | 180.0° | 180.0° |
| O1 | C1 | C16 | C13 | 179.8° | 180.0° |
| O1 | C1 | C16 | C19 | 0.5° | 0.2° |
| HO1 | O1 | C1 | C4 | 180.0° | 90.0° |
| HO1 | O1 | C1 | C16 | 0.0° | 90.4° |
| O4 | C4 | C1 | C7 | 179.6° | 179.8° |
| O4 | C4 | C1 | C16 | 179.6° | 179.8° |
| O4 | C4 | C7 | C10 | 179.9° | 179.9° |
| O4 | C4 | C7 | H7 | 0.1° | 0.1° |
| HO4 | O4 | C4 | C1 | 180.0° | 89.8° |
| HO4 | O4 | C4 | C7 | 0.4° | 90.0° |
| O7 | C19 | N1 | C16 | 179.4° | 180.0° |
| O7 | C19 | N1 | HN11 | 180.0° | 0.0° |
| O7 | C19 | N1 | HN12 | 0.5° | 179.7° |
| O7 | C19 | C16 | C1 | 180.0° | 0.2° |
| O7 | C19 | C16 | C13 | 0.4° | 179.9° |
| C19 | N1 | HN11 | HN12 | 179.4° | 179.7° |
| N1 | C19 | C16 | C1 | 0.6° | 179.8° |
| N1 | C19 | C16 | C13 | 179.0° | 0.1° |
| HN11 | N1 | C19 | C16 | 0.6° | 180.0° |
| HN12 | N1 | C19 | C16 | 180.0° | 0.3° |
| C1 | C4 | C7 | C10 | 0.3° | 0.3° |
| C1 | C4 | C7 | H7 | 179.7° | 179.8° |
| C4 | C1 | C16 | C13 | 0.2° | 0.4° |
| C4 | C1 | C16 | C19 | 179.4° | 179.8° |
| C16 | C1 | C4 | C7 | 0.0° | 0.4° |
| C1 | C16 | C13 | C10 | 0.1° | 0.2° |
| C1 | C16 | C13 | C19 | 179.6° | 179.9° |
| C1 | C16 | C13 | H13 | 179.9° | 179.7° |
| C4 | C7 | C10 | H7 | 180.0° | 179.9° |
| C4 | C7 | C10 | C13 | 0.4° | 0.1° |
| C4 | C7 | C10 | H10 | 179.6° | 180.0° |
| C7 | C10 | C13 | H10 | 180.0° | 179.9° |
| C7 | C10 | C13 | C16 | 0.2° | 0.0° |
| C7 | C10 | C13 | H13 | 179.8° | 179.9° |
| H7 | C7 | C10 | C13 | 179.6° | 180.0° |
| H7 | C7 | C10 | H10 | 0.4° | 0.1° |
| C10 | C13 | C16 | H13 | 180.0° | 179.9° |
| C10 | C13 | C16 | C19 | 179.5° | 180.0° |
| H10 | C10 | C13 | C16 | 179.8° | 180.0° |
| H10 | C10 | C13 | H13 | 0.2° | 0.0° |
| H13 | C13 | C16 | C19 | 0.5° | 0.1° |
