8AS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | O | sing | 1.43Å | 1.42Å | |
| C19 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| N3 | C16 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O | C17 | sing | 1.43Å | 1.43Å | |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | O | 111.5° | 109.3° |
| C18 | C19 | N3 | 110.6° | 109.3° |
| C19 | C18 | H24 | 109.0° | 109.5° |
| C19 | C18 | H25 | 109.0° | 109.5° |
| C18 | C19 | H26 | 109.2° | 109.5° |
| C18 | C19 | H27 | 109.2° | 109.5° |
| C18 | O | C17 | 110.2° | 113.7° |
| O | C18 | H24 | 109.0° | 109.5° |
| O | C18 | H25 | 109.0° | 109.5° |
| C19 | N3 | C15 | 108.5° | 111.0° |
| C19 | N3 | C16 | 109.6° | 110.7° |
| N3 | C19 | H26 | 109.2° | 109.5° |
| N3 | C19 | H27 | 109.2° | 109.5° |
| C15 | N3 | C16 | 111.5° | 111.0° |
| N3 | C15 | C14 | 118.3° | 109.4° |
| N3 | C15 | H18 | 107.2° | 109.5° |
| N3 | C15 | H19 | 107.2° | 109.5° |
| N3 | C16 | C17 | 110.6° | 109.2° |
| N3 | C16 | H20 | 109.2° | 109.5° |
| N3 | C16 | H21 | 109.2° | 109.5° |
| C15 | C14 | C13 | 111.4° | 109.5° |
| C15 | C14 | H16 | 109.0° | 109.5° |
| C15 | C14 | H17 | 109.0° | 109.5° |
| C14 | C15 | H18 | 107.2° | 109.5° |
| C14 | C15 | H19 | 107.2° | 109.5° |
| O | C17 | C16 | 111.6° | 109.3° |
| O | C17 | H22 | 108.9° | 109.5° |
| O | C17 | H23 | 109.0° | 109.5° |
| O1 | C13 | C14 | 121.6° | 120.0° |
| O1 | C13 | OXT | 122.4° | 120.0° |
| C13 | C14 | H16 | 109.0° | 109.5° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C14 | C13 | OXT | 116.0° | 120.0° |
| C17 | C16 | H20 | 109.2° | 109.5° |
| C17 | C16 | H21 | 109.2° | 109.6° |
| C16 | C17 | H22 | 108.9° | 109.5° |
| C16 | C17 | H23 | 108.9° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| C13 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | O | H24 | 120.3° | 119.9° |
| C19 | C18 | O | H25 | 120.3° | 119.9° |
| C18 | C19 | N3 | H26 | 120.2° | 119.9° |
| C18 | C19 | N3 | H27 | 120.2° | 119.9° |
| C18 | C19 | N3 | C15 | 177.2° | 177.6° |
| C18 | C19 | N3 | C16 | 55.1° | 58.6° |
| C19 | C18 | O | C17 | 58.8° | 58.7° |
| C19 | C18 | H24 | H25 | 119.1° | 120.0° |
| C18 | C19 | H26 | H27 | 119.5° | 120.1° |
| O | C18 | C19 | N3 | 57.9° | 56.9° |
| C18 | O | C17 | C16 | 58.3° | 58.7° |
| C18 | O | C17 | H22 | 62.0° | 178.6° |
| C18 | O | C17 | H23 | 178.6° | 61.3° |
| O | C18 | H24 | H25 | 119.1° | 120.2° |
| O | C18 | C19 | H26 | 62.3° | 176.8° |
| O | C18 | C19 | H27 | 178.0° | 63.1° |
| C19 | N3 | C15 | C16 | 120.9° | 123.6° |
| C19 | N3 | C15 | C14 | 174.5° | 66.4° |
| C19 | N3 | C16 | C17 | 54.7° | 58.6° |
| C19 | N3 | C15 | H18 | 53.2° | 173.6° |
| C19 | N3 | C15 | H19 | 64.2° | 53.6° |
| C19 | N3 | C16 | H20 | 65.5° | 61.3° |
| C19 | N3 | C16 | H21 | 174.9° | 178.6° |
| N3 | C19 | C18 | H24 | 62.4° | 63.1° |
| N3 | C19 | C18 | H25 | 178.2° | 176.8° |
| N3 | C19 | H26 | H27 | 119.5° | 120.1° |
| N3 | C15 | C14 | H18 | 121.3° | 120.0° |
| N3 | C15 | C14 | H19 | 121.3° | 120.0° |
| N3 | C15 | C14 | C13 | 165.2° | 180.0° |
| C15 | N3 | C16 | C17 | 174.9° | 177.6° |
| N3 | C15 | C14 | H16 | 44.9° | 60.0° |
| N3 | C15 | C14 | H17 | 74.5° | 60.0° |
| N3 | C15 | H18 | H19 | 116.0° | 120.0° |
| C15 | N3 | C16 | H20 | 54.7° | 62.5° |
| C15 | N3 | C16 | H21 | 64.9° | 57.6° |
| C15 | N3 | C19 | H26 | 57.0° | 57.7° |
| C15 | N3 | C19 | H27 | 62.6° | 62.4° |
| C16 | N3 | C15 | C14 | 53.7° | 170.0° |
| N3 | C16 | C17 | O | 56.9° | 56.9° |
| N3 | C16 | C17 | H20 | 120.2° | 120.0° |
| N3 | C16 | C17 | H21 | 120.2° | 120.0° |
| C16 | N3 | C15 | H18 | 67.6° | 50.0° |
| C16 | N3 | C15 | H19 | 174.9° | 70.0° |
| N3 | C16 | H20 | H21 | 119.5° | 120.1° |
| N3 | C16 | C17 | H22 | 63.4° | 176.8° |
| N3 | C16 | C17 | H23 | 177.2° | 63.1° |
| C16 | N3 | C19 | H26 | 65.0° | 178.5° |
| C16 | N3 | C19 | H27 | 175.3° | 61.3° |
| C15 | C14 | C13 | O1 | 123.8° | 0.0° |
| C15 | C14 | C13 | H16 | 120.3° | 120.0° |
| C15 | C14 | C13 | H17 | 120.3° | 120.0° |
| C15 | C14 | H16 | H17 | 119.1° | 120.0° |
| C14 | C15 | H18 | H19 | 116.0° | 120.0° |
| C15 | C14 | C13 | OXT | 56.6° | 180.0° |
| O | C17 | C16 | H22 | 120.3° | 119.9° |
| O | C17 | C16 | H23 | 120.3° | 120.0° |
| O | C17 | C16 | H20 | 63.3° | 63.1° |
| O | C17 | C16 | H21 | 177.0° | 176.8° |
| O | C17 | H22 | H23 | 119.1° | 120.1° |
| C17 | O | C18 | H24 | 61.5° | 61.2° |
| C17 | O | C18 | H25 | 179.1° | 178.6° |
| O1 | C13 | C14 | OXT | 179.6° | 179.9° |
| O1 | C13 | C14 | H16 | 3.5° | 120.0° |
| O1 | C13 | C14 | H17 | 115.9° | 120.0° |
| O1 | C13 | OXT | HXT | 0.0° | 0.1° |
| C13 | C14 | H16 | H17 | 119.1° | 120.0° |
| C13 | C14 | C15 | H18 | 73.6° | 60.0° |
| C13 | C14 | C15 | H19 | 43.9° | 60.0° |
| C14 | C13 | OXT | HXT | 179.6° | 180.0° |
| C17 | C16 | H20 | H21 | 119.5° | 120.1° |
| C16 | C17 | H22 | H23 | 119.0° | 120.1° |
| H16 | C14 | C15 | H18 | 166.1° | 60.0° |
| H16 | C14 | C15 | H19 | 76.4° | 180.0° |
| H16 | C14 | C13 | OXT | 176.9° | 60.0° |
| H17 | C14 | C15 | H18 | 46.7° | 180.0° |
| H17 | C14 | C15 | H19 | 164.2° | 60.0° |
| H17 | C14 | C13 | OXT | 63.7° | 60.0° |
| H20 | C16 | C17 | H22 | 176.4° | 56.8° |
| H20 | C16 | C17 | H23 | 57.0° | 176.9° |
| H21 | C16 | C17 | H22 | 56.7° | 63.3° |
| H21 | C16 | C17 | H23 | 62.7° | 56.8° |
| H24 | C18 | C19 | H26 | 177.4° | 56.8° |
| H24 | C18 | C19 | H27 | 57.7° | 177.0° |
| H25 | C18 | C19 | H26 | 58.0° | 63.3° |
| H25 | C18 | C19 | H27 | 61.6° | 56.9° |
