DB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C13 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.45Å | 1.45Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.44Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | N14 | sing | 1.39Å | 1.35Å | |
| C13 | N15 | doub | 1.32Å | 1.35Å | |
| N14 | H141 | sing | 1.01Å | 1.00Å | |
| N14 | H142 | sing | 1.01Å | 1.00Å | |
| N15 | HN15 | sing | 1.03Å | 1.00Å | |
| C16 | N17 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | N20 | doub | 1.31Å | 1.31Å | Aromatic |
| N17 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| N17 | HN17 | sing | 1.01Å | 1.00Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.46Å | 1.45Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | N26 | sing | 1.39Å | 1.35Å | |
| C25 | N27 | doub | 1.32Å | 1.35Å | |
| N26 | H261 | sing | 1.01Å | 1.00Å | |
| N26 | H262 | sing | 1.01Å | 1.00Å | |
| N27 | HN27 | sing | 1.03Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.6° |
| C1 | C2 | C13 | 121.2° | 120.0° |
| C1 | C2 | C3 | 119.8° | 119.9° |
| C6 | C1 | H1 | 120.1° | 119.4° |
| C1 | C6 | C5 | 120.4° | 120.0° |
| C1 | C6 | H6 | 119.8° | 119.1° |
| C13 | C2 | C3 | 119.1° | 120.0° |
| C2 | C13 | N14 | 120.6° | 124.4° |
| C2 | C13 | N15 | 119.2° | 118.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.6° |
| C4 | C3 | H3 | 119.9° | 119.4° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.9° | 119.1° |
| C5 | C4 | H4 | 119.8° | 120.9° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | C7 | 119.0° | 119.9° |
| C6 | C5 | C7 | 121.6° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.9° |
| C5 | C7 | C8 | 121.1° | 120.0° |
| C5 | C7 | C12 | 119.7° | 120.0° |
| C8 | C7 | C12 | 119.2° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C7 | C8 | H8 | 119.8° | 120.8° |
| C7 | C12 | C11 | 121.3° | 120.0° |
| C7 | C12 | H12 | 119.4° | 120.0° |
| C9 | C8 | H8 | 119.8° | 119.1° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| C10 | C9 | H9 | 120.1° | 120.0° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.8° | 119.1° |
| C11 | C10 | H10 | 119.8° | 120.9° |
| C10 | C11 | C12 | 118.8° | 120.0° |
| C10 | C11 | C16 | 120.9° | 119.9° |
| C12 | C11 | C16 | 120.3° | 120.0° |
| C11 | C12 | H12 | 119.3° | 120.0° |
| C11 | C16 | N17 | 125.2° | 122.0° |
| C11 | C16 | N20 | 125.4° | 126.1° |
| N14 | C13 | N15 | 120.2° | 117.6° |
| C13 | N14 | H141 | 110.1° | 121.4° |
| C13 | N14 | H142 | 124.9° | 122.2° |
| C13 | N15 | HN15 | 110.1° | 109.6° |
| H141 | N14 | H142 | 125.0° | 116.4° |
| N17 | C16 | N20 | 109.4° | 112.0° |
| C16 | N17 | C18 | 107.8° | 107.8° |
| C16 | N17 | HN17 | 126.1° | 126.4° |
| C16 | N20 | C19 | 108.9° | 105.1° |
| C18 | N17 | HN17 | 126.1° | 125.9° |
| N17 | C18 | C19 | 106.1° | 104.4° |
| N17 | C18 | C24 | 133.2° | 132.3° |
| C19 | C18 | C24 | 120.7° | 123.3° |
| C18 | C19 | N20 | 107.8° | 110.8° |
| C18 | C19 | C21 | 119.9° | 119.2° |
| C18 | C24 | C23 | 119.5° | 116.8° |
| C18 | C24 | H24 | 120.2° | 121.3° |
| N20 | C19 | C21 | 132.3° | 130.0° |
| C19 | C21 | C22 | 119.6° | 118.5° |
| C19 | C21 | H21 | 120.2° | 121.1° |
| C22 | C21 | H21 | 120.2° | 120.4° |
| C21 | C22 | C23 | 120.3° | 121.0° |
| C21 | C22 | H22 | 119.8° | 118.9° |
| C23 | C22 | H22 | 119.9° | 120.1° |
| C22 | C23 | C24 | 120.0° | 121.2° |
| C22 | C23 | C25 | 120.1° | 119.5° |
| C24 | C23 | C25 | 119.9° | 119.2° |
| C23 | C24 | H24 | 120.3° | 121.9° |
| C23 | C25 | N26 | 119.0° | 124.4° |
| C23 | C25 | N27 | 120.4° | 117.9° |
| N26 | C25 | N27 | 120.6° | 117.7° |
| C25 | N26 | H261 | 108.7° | 121.5° |
| C25 | N26 | H262 | 125.6° | 122.2° |
| C25 | N27 | HN27 | 108.7° | 109.6° |
| H261 | N26 | H262 | 125.6° | 116.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C13 | C3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C1 | C2 | C13 | N14 | 3.9° | 180.0° |
| C1 | C2 | C13 | N15 | 176.8° | 0.1° |
| C6 | C1 | C2 | C13 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.9° | 179.9° |
| H1 | C1 | C2 | C13 | 0.0° | 0.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C6 | C5 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.1° |
| C13 | C2 | C3 | C4 | 180.0° | 179.9° |
| C13 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C13 | N14 | N15 | 179.3° | 179.9° |
| C2 | C13 | N14 | H141 | 179.3° | 179.8° |
| C2 | C13 | N14 | H142 | 0.7° | 0.9° |
| C2 | C13 | N15 | HN15 | 0.7° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C13 | N14 | 176.0° | 0.0° |
| C3 | C2 | C13 | N15 | 3.3° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | C7 | 179.9° | 179.9° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C7 | C8 | 148.9° | 30.0° |
| C4 | C5 | C7 | C12 | 30.8° | 150.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C7 | 0.1° | 0.1° |
| C6 | C5 | C7 | C8 | 30.9° | 150.0° |
| C6 | C5 | C7 | C12 | 149.3° | 30.1° |
| C7 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C7 | C8 | C12 | 179.8° | 180.0° |
| C5 | C7 | C8 | C9 | 179.9° | 180.0° |
| C5 | C7 | C8 | H8 | 0.1° | 0.0° |
| C5 | C7 | C12 | C11 | 180.0° | 180.0° |
| C5 | C7 | C12 | H12 | 0.0° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 0.2° | 0.1° |
| C8 | C7 | C12 | H12 | 179.8° | 180.0° |
| C12 | C7 | C8 | C9 | 0.1° | 0.1° |
| C12 | C7 | C8 | H8 | 179.8° | 179.9° |
| C7 | C12 | C11 | C10 | 0.2° | 0.0° |
| C7 | C12 | C11 | H12 | 180.0° | 179.9° |
| C7 | C12 | C11 | C16 | 179.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | C16 | 180.0° | 180.0° |
| H9 | C9 | C10 | C11 | 180.0° | 180.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| C10 | C11 | C12 | C16 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C10 | C11 | C16 | N17 | 170.7° | 149.9° |
| C10 | C11 | C16 | N20 | 9.4° | 30.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | C16 | 0.0° | 0.0° |
| C12 | C11 | C16 | N17 | 9.5° | 30.1° |
| C12 | C11 | C16 | N20 | 170.4° | 150.0° |
| C16 | C11 | C12 | H12 | 0.1° | 0.0° |
| C11 | C16 | N17 | N20 | 179.9° | 179.9° |
| C11 | C16 | N17 | C18 | 180.0° | 179.9° |
| C11 | C16 | N17 | HN17 | 0.0° | 0.0° |
| C11 | C16 | N20 | C19 | 179.9° | 179.9° |
| C13 | N14 | H141 | H142 | 180.0° | 179.3° |
| N14 | C13 | N15 | HN15 | 180.0° | 180.0° |
| N15 | C13 | N14 | H141 | 0.0° | 0.3° |
| N15 | C13 | N14 | H142 | 180.0° | 179.0° |
| C16 | N17 | C18 | HN17 | 180.0° | 179.9° |
| C16 | N17 | C18 | C19 | 0.1° | 0.0° |
| C16 | N17 | C18 | C24 | 180.0° | 180.0° |
| N17 | C16 | N20 | C19 | 0.0° | 0.0° |
| N20 | C16 | N17 | C18 | 0.0° | 0.0° |
| N20 | C16 | N17 | HN17 | 179.9° | 179.9° |
| C16 | N20 | C19 | C18 | 0.1° | 0.0° |
| C16 | N20 | C19 | C21 | 179.9° | 180.0° |
| N17 | C18 | C19 | C24 | 179.9° | 179.9° |
| N17 | C18 | C19 | N20 | 0.1° | 0.0° |
| N17 | C18 | C19 | C21 | 180.0° | 180.0° |
| N17 | C18 | C24 | C23 | 179.9° | 180.0° |
| N17 | C18 | C24 | H24 | 0.1° | 0.0° |
| HN17 | N17 | C18 | C19 | 179.9° | 179.9° |
| HN17 | N17 | C18 | C24 | 0.0° | 0.0° |
| C18 | C19 | N20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C21 | C22 | 0.1° | 0.0° |
| C18 | C19 | C21 | H21 | 179.9° | 180.0° |
| C19 | C18 | C24 | C23 | 0.0° | 0.1° |
| C19 | C18 | C24 | H24 | 180.0° | 179.9° |
| C24 | C18 | C19 | N20 | 180.0° | 179.9° |
| C24 | C18 | C19 | C21 | 0.1° | 0.1° |
| C18 | C24 | C23 | C22 | 0.1° | 0.1° |
| C18 | C24 | C23 | H24 | 180.0° | 180.0° |
| C18 | C24 | C23 | C25 | 179.9° | 179.9° |
| N20 | C19 | C21 | C22 | 180.0° | 180.0° |
| N20 | C19 | C21 | H21 | 0.1° | 0.1° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 0.0° | 0.0° |
| C19 | C21 | C22 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | C25 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 180.0° | 179.9° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C22 | C23 | C25 | N26 | 170.5° | 0.0° |
| C22 | C23 | C25 | N27 | 8.4° | 180.0° |
| H22 | C22 | C23 | C24 | 180.0° | 179.9° |
| H22 | C22 | C23 | C25 | 0.1° | 0.1° |
| C24 | C23 | C25 | N26 | 9.3° | 180.0° |
| C24 | C23 | C25 | N27 | 171.7° | 0.0° |
| C25 | C23 | C24 | H24 | 0.1° | 0.0° |
| C23 | C25 | N26 | N27 | 179.0° | 180.0° |
| C23 | C25 | N26 | H261 | 180.0° | 179.7° |
| C23 | C25 | N26 | H262 | 0.0° | 1.0° |
| C23 | C25 | N27 | HN27 | 0.5° | 0.0° |
| C25 | N26 | H261 | H262 | 180.0° | 179.4° |
| N26 | C25 | N27 | HN27 | 179.5° | 180.0° |
| N27 | C25 | N26 | H261 | 1.0° | 0.3° |
| N27 | C25 | N26 | H262 | 179.0° | 179.0° |
