3Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C8 | sing | 1.74Å | 1.74Å | |
| C10 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C12 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C12 | C9 | sing | 1.53Å | 1.51Å | |
| C1 | O6 | doub | 1.22Å | 1.23Å | |
| C1 | N3 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.46Å | 1.46Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C8 | C10 | 119.3° | 119.9° |
| CL | C8 | C5 | 119.0° | 119.9° |
| C8 | C10 | C7 | 119.1° | 120.4° |
| C10 | C8 | C5 | 121.4° | 120.1° |
| C8 | C10 | H18 | 120.4° | 119.8° |
| C10 | C7 | C4 | 121.4° | 120.0° |
| C10 | C7 | H15 | 119.3° | 120.0° |
| C7 | C10 | H18 | 120.4° | 119.8° |
| C8 | C5 | C2 | 119.5° | 119.6° |
| C8 | C5 | H14 | 120.2° | 120.2° |
| C7 | C4 | C2 | 118.7° | 119.9° |
| C7 | C4 | C12 | 120.2° | 120.9° |
| C4 | C7 | H15 | 119.3° | 120.0° |
| C5 | C2 | C4 | 119.7° | 120.0° |
| C5 | C2 | C1 | 118.8° | 121.2° |
| C2 | C5 | H14 | 120.3° | 120.2° |
| C2 | C4 | C12 | 121.0° | 119.2° |
| C4 | C2 | C1 | 121.1° | 118.8° |
| C4 | C12 | C9 | 111.3° | 109.9° |
| C4 | C12 | H19 | 109.0° | 109.4° |
| C4 | C12 | H20 | 109.0° | 109.4° |
| C2 | C1 | O6 | 122.7° | 120.5° |
| C2 | C1 | N3 | 115.8° | 119.1° |
| C12 | C9 | N3 | 113.7° | 111.1° |
| C9 | C12 | H19 | 109.0° | 109.3° |
| C9 | C12 | H20 | 109.0° | 109.4° |
| C12 | C9 | H17 | 108.4° | 109.2° |
| C12 | C9 | H16 | 108.4° | 109.1° |
| O6 | C1 | N3 | 121.3° | 120.4° |
| C1 | N3 | C9 | 125.8° | 121.2° |
| C1 | N3 | H13 | 117.1° | 119.4° |
| C9 | N3 | H13 | 117.1° | 119.4° |
| N3 | C9 | H17 | 108.4° | 109.1° |
| N3 | C9 | H16 | 108.4° | 109.1° |
| H19 | C12 | H20 | 109.5° | 109.3° |
| H17 | C9 | H16 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C8 | C10 | C5 | 173.6° | 180.0° |
| CL | C8 | C10 | C7 | 169.6° | 179.9° |
| CL | C8 | C5 | C2 | 169.9° | 180.0° |
| CL | C8 | C5 | H14 | 10.1° | 0.1° |
| CL | C8 | C10 | H18 | 10.4° | 0.1° |
| C8 | C10 | C7 | H18 | 180.0° | 180.0° |
| C8 | C10 | C7 | C4 | 1.7° | 0.1° |
| C10 | C8 | C5 | C2 | 3.8° | 0.0° |
| C10 | C8 | C5 | H14 | 176.2° | 179.9° |
| C8 | C10 | C7 | H15 | 178.3° | 180.0° |
| C7 | C10 | C8 | C5 | 4.0° | 0.0° |
| C10 | C7 | C4 | H15 | 180.0° | 179.9° |
| C10 | C7 | C4 | C2 | 0.8° | 0.0° |
| C10 | C7 | C4 | C12 | 177.2° | 180.0° |
| C8 | C5 | C2 | H14 | 180.0° | 179.9° |
| C8 | C5 | C2 | C4 | 1.2° | 0.1° |
| C8 | C5 | C2 | C1 | 172.3° | 179.9° |
| C5 | C8 | C10 | H18 | 176.0° | 180.0° |
| C7 | C4 | C2 | C5 | 1.1° | 0.0° |
| C7 | C4 | C2 | C12 | 178.0° | 180.0° |
| C7 | C4 | C2 | C1 | 174.4° | 179.9° |
| C7 | C4 | C12 | C9 | 151.7° | 146.0° |
| C7 | C4 | C12 | H19 | 31.4° | 93.9° |
| C7 | C4 | C12 | H20 | 88.0° | 25.9° |
| C4 | C7 | C10 | H18 | 178.3° | 179.9° |
| C5 | C2 | C4 | C1 | 173.3° | 179.9° |
| C5 | C2 | C4 | C12 | 176.9° | 179.9° |
| C5 | C2 | C1 | O6 | 9.9° | 17.7° |
| C5 | C2 | C1 | N3 | 166.4° | 162.3° |
| C2 | C4 | C12 | C9 | 26.3° | 34.0° |
| C4 | C2 | C1 | O6 | 176.7° | 162.4° |
| C4 | C2 | C1 | N3 | 7.0° | 17.6° |
| C2 | C4 | C12 | H19 | 146.6° | 86.1° |
| C2 | C4 | C12 | H20 | 94.0° | 154.1° |
| C4 | C2 | C5 | H14 | 178.8° | 180.0° |
| C2 | C4 | C7 | H15 | 179.2° | 180.0° |
| C12 | C4 | C2 | C1 | 3.6° | 0.1° |
| C4 | C12 | C9 | H19 | 120.3° | 120.2° |
| C4 | C12 | C9 | H20 | 120.3° | 120.1° |
| C4 | C12 | C9 | N3 | 38.0° | 51.1° |
| C4 | C12 | H19 | H20 | 119.1° | 119.8° |
| C12 | C4 | C7 | H15 | 2.8° | 0.1° |
| C4 | C12 | C9 | H17 | 82.7° | 171.5° |
| C4 | C12 | C9 | H16 | 158.6° | 69.2° |
| C2 | C1 | O6 | N3 | 176.1° | 180.0° |
| C2 | C1 | N3 | C9 | 8.2° | 2.7° |
| C2 | C1 | N3 | H13 | 171.9° | 177.2° |
| C1 | C2 | C5 | H14 | 7.7° | 0.0° |
| C12 | C9 | N3 | C1 | 32.0° | 37.7° |
| C12 | C9 | N3 | H17 | 120.6° | 120.5° |
| C12 | C9 | N3 | H16 | 120.7° | 120.4° |
| C9 | C12 | H19 | H20 | 119.2° | 119.7° |
| C12 | C9 | N3 | H13 | 148.0° | 142.2° |
| C12 | C9 | H17 | H16 | 118.1° | 119.2° |
| O6 | C1 | N3 | C9 | 168.2° | 177.3° |
| O6 | C1 | N3 | H13 | 11.8° | 2.8° |
| C1 | N3 | C9 | H13 | 180.0° | 179.9° |
| C1 | N3 | C9 | H17 | 88.6° | 158.1° |
| C1 | N3 | C9 | H16 | 152.6° | 82.7° |
| N3 | C9 | C12 | H19 | 158.3° | 69.0° |
| N3 | C9 | C12 | H20 | 82.3° | 171.2° |
| N3 | C9 | H17 | H16 | 118.0° | 119.2° |
| H19 | C12 | C9 | H17 | 37.6° | 51.4° |
| H19 | C12 | C9 | H16 | 81.1° | 170.6° |
| H20 | C12 | C9 | H17 | 157.1° | 68.3° |
| H20 | C12 | C9 | H16 | 38.4° | 50.9° |
| H13 | N3 | C9 | H17 | 91.3° | 21.8° |
| H13 | N3 | C9 | H16 | 27.4° | 97.4° |
| H15 | C7 | C10 | H18 | 1.7° | 0.0° |
