6HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C14 | N10 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.30Å | 1.30Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| F1 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.50Å | |
| N10 | C8 | sing | 1.35Å | 1.35Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| C8 | O9 | doub | 1.21Å | 1.23Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | N10 | 101.7° | 107.2° |
| C14 | C13 | C12 | 112.1° | 110.1° |
| C14 | C13 | H22 | 123.9° | 124.9° |
| C13 | C14 | H23 | 111.4° | 110.0° |
| C13 | C14 | H24 | 111.4° | 109.9° |
| C14 | N10 | C8 | 128.2° | 127.2° |
| C14 | N10 | C11 | 111.0° | 105.3° |
| N10 | C14 | H23 | 111.4° | 109.8° |
| N10 | C14 | H24 | 111.4° | 109.9° |
| C13 | C12 | C11 | 111.9° | 110.1° |
| C13 | C12 | H21 | 124.1° | 124.9° |
| C12 | C13 | H22 | 123.9° | 124.9° |
| C4 | C3 | C2 | 118.7° | 120.2° |
| C3 | C4 | C5 | 120.0° | 120.2° |
| C4 | C3 | H15 | 120.7° | 119.8° |
| C3 | C4 | H16 | 120.0° | 119.9° |
| C3 | C2 | F1 | 118.6° | 119.9° |
| C3 | C2 | C7 | 122.9° | 120.1° |
| C2 | C3 | H15 | 120.7° | 119.9° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C4 | C5 | H17 | 119.8° | 120.0° |
| C5 | C4 | H16 | 120.0° | 119.9° |
| F1 | C2 | C7 | 118.5° | 120.0° |
| C2 | C7 | C6 | 119.1° | 119.8° |
| C2 | C7 | H18 | 120.4° | 120.1° |
| C5 | C6 | C7 | 118.9° | 119.7° |
| C5 | C6 | C8 | 123.5° | 120.1° |
| C6 | C5 | H17 | 119.7° | 120.1° |
| C12 | C11 | N10 | 101.9° | 107.3° |
| C12 | C11 | H20 | 111.3° | 109.9° |
| C12 | C11 | H19 | 111.3° | 109.9° |
| C11 | C12 | H21 | 124.0° | 124.9° |
| C7 | C6 | C8 | 117.6° | 120.2° |
| C6 | C7 | H18 | 120.4° | 120.1° |
| C6 | C8 | N10 | 120.4° | 119.9° |
| C6 | C8 | O9 | 118.3° | 120.0° |
| C8 | N10 | C11 | 118.6° | 127.5° |
| N10 | C8 | O9 | 121.3° | 120.0° |
| N10 | C11 | H20 | 111.3° | 109.9° |
| N10 | C11 | H19 | 111.3° | 109.9° |
| H20 | C11 | H19 | 109.5° | 109.9° |
| H23 | C14 | H24 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | N10 | H23 | 118.8° | 119.4° |
| C13 | C14 | N10 | H24 | 118.7° | 119.4° |
| C14 | C13 | C12 | H22 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 8.2° | 0.1° |
| C13 | C14 | N10 | C8 | 174.1° | 180.0° |
| C13 | C14 | N10 | C11 | 11.5° | 0.1° |
| C14 | C13 | C12 | H21 | 171.8° | 179.9° |
| C13 | C14 | H23 | H24 | 123.6° | 121.2° |
| N10 | C14 | C13 | C12 | 12.0° | 0.0° |
| C14 | N10 | C11 | C12 | 7.3° | 0.1° |
| C14 | N10 | C8 | C6 | 20.2° | 174.8° |
| C14 | N10 | C8 | C11 | 161.5° | 179.9° |
| C14 | N10 | C8 | O9 | 159.6° | 5.3° |
| C14 | N10 | C11 | H20 | 111.4° | 119.4° |
| C14 | N10 | C11 | H19 | 126.1° | 119.5° |
| N10 | C14 | C13 | H22 | 168.0° | 179.9° |
| N10 | C14 | H23 | H24 | 123.6° | 121.1° |
| C13 | C12 | C11 | H21 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 0.5° | 0.1° |
| C13 | C12 | C11 | H20 | 119.3° | 119.3° |
| C13 | C12 | C11 | H19 | 118.2° | 119.5° |
| C12 | C13 | C14 | H23 | 130.8° | 119.3° |
| C12 | C13 | C14 | H24 | 106.7° | 119.4° |
| C4 | C3 | C2 | H15 | 180.0° | 180.0° |
| C3 | C4 | C5 | H16 | 180.0° | 179.9° |
| C4 | C3 | C2 | F1 | 179.8° | 179.7° |
| C4 | C3 | C2 | C7 | 0.4° | 0.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C5 | H17 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | F1 | C7 | 179.9° | 179.7° |
| C3 | C2 | C7 | C6 | 0.4° | 0.0° |
| C3 | C2 | C7 | H18 | 179.6° | 180.0° |
| C2 | C3 | C4 | H16 | 179.5° | 180.0° |
| C4 | C5 | C6 | H17 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.0° |
| C4 | C5 | C6 | C8 | 180.0° | 180.0° |
| C5 | C4 | C3 | H15 | 179.4° | 180.0° |
| F1 | C2 | C7 | C6 | 179.7° | 179.7° |
| F1 | C2 | C3 | H15 | 0.2° | 0.3° |
| F1 | C2 | C7 | H18 | 0.3° | 0.3° |
| C2 | C7 | C6 | C5 | 0.7° | 0.0° |
| C2 | C7 | C6 | H18 | 180.0° | 180.0° |
| C2 | C7 | C6 | C8 | 179.8° | 180.0° |
| C7 | C2 | C3 | H15 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 179.1° | 180.0° |
| C5 | C6 | C8 | N10 | 38.7° | 172.8° |
| C5 | C6 | C8 | O9 | 141.5° | 7.2° |
| C5 | C6 | C7 | H18 | 179.3° | 180.0° |
| C6 | C5 | C4 | H16 | 179.2° | 180.0° |
| C12 | C11 | N10 | C8 | 171.8° | 180.0° |
| C12 | C11 | N10 | H20 | 118.8° | 119.5° |
| C12 | C11 | N10 | H19 | 118.8° | 119.4° |
| C12 | C11 | H20 | H19 | 123.6° | 121.1° |
| C11 | C12 | C13 | H22 | 171.9° | 180.0° |
| C7 | C6 | C8 | N10 | 142.2° | 7.2° |
| C7 | C6 | C8 | O9 | 37.6° | 172.7° |
| C7 | C6 | C5 | H17 | 179.1° | 180.0° |
| C6 | C8 | N10 | O9 | 179.8° | 180.0° |
| C6 | C8 | N10 | C11 | 178.3° | 5.4° |
| C8 | C6 | C5 | H17 | 0.0° | 0.1° |
| C8 | C6 | C7 | H18 | 0.2° | 0.1° |
| C8 | N10 | C11 | H20 | 53.1° | 60.5° |
| C8 | N10 | C11 | H19 | 69.4° | 60.6° |
| C8 | N10 | C14 | H23 | 67.1° | 60.6° |
| C8 | N10 | C14 | H24 | 55.4° | 60.6° |
| C11 | N10 | C8 | O9 | 1.9° | 174.6° |
| N10 | C11 | H20 | H19 | 123.5° | 121.1° |
| N10 | C11 | C12 | H21 | 179.5° | 180.0° |
| C11 | N10 | C14 | H23 | 130.2° | 119.5° |
| C11 | N10 | C14 | H24 | 107.3° | 119.3° |
| H15 | C3 | C4 | H16 | 0.5° | 0.0° |
| H17 | C5 | C4 | H16 | 0.8° | 0.1° |
| H20 | C11 | C12 | H21 | 60.7° | 60.6° |
| H19 | C11 | C12 | H21 | 61.8° | 60.6° |
| H21 | C12 | C13 | H22 | 8.1° | 0.1° |
| H22 | C13 | C14 | H23 | 49.2° | 60.6° |
| H22 | C13 | C14 | H24 | 73.3° | 60.7° |
