O1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.48Å | |
| C1 | C4 | doub | 1.38Å | 1.39Å | |
| C1 | C14 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| C2 | O11 | doub | 1.22Å | 1.24Å | |
| N3 | C6 | sing | 1.36Å | 1.35Å | |
| N3 | C8 | sing | 1.46Å | 1.43Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| C4 | O18 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C7 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | CL17 | sing | 1.74Å | 1.73Å | |
| C10 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C12 | C15 | doub | 1.33Å | 1.36Å | |
| C13 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C21 | sing | 1.48Å | 1.47Å | |
| C16 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | CL20 | sing | 1.74Å | 1.76Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| O18 | H11 | sing | 0.97Å | 0.95Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 117.2° | 119.1° |
| C2 | C1 | C14 | 115.8° | 120.5° |
| C1 | C2 | N3 | 118.0° | 120.2° |
| C1 | C2 | O11 | 128.5° | 119.9° |
| C4 | C1 | C14 | 126.9° | 120.4° |
| C1 | C4 | C5 | 120.9° | 119.0° |
| C1 | C4 | O18 | 126.9° | 120.5° |
| C1 | C14 | C12 | 112.3° | 109.4° |
| C1 | C14 | H8 | 108.8° | 109.4° |
| C1 | C14 | H9 | 108.8° | 109.5° |
| N3 | C2 | O11 | 113.4° | 119.9° |
| C2 | N3 | C6 | 120.9° | 121.1° |
| C2 | N3 | C8 | 120.6° | 119.5° |
| C6 | N3 | C8 | 118.5° | 119.5° |
| N3 | C6 | C5 | 121.8° | 120.9° |
| N3 | C6 | H2 | 119.1° | 119.6° |
| N3 | C8 | C7 | 109.5° | 109.5° |
| N3 | C8 | H3 | 109.5° | 109.5° |
| N3 | C8 | H4 | 109.5° | 109.5° |
| C5 | C4 | O18 | 112.2° | 120.5° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C4 | C5 | H1 | 119.8° | 120.1° |
| C4 | O18 | H11 | 109.5° | 114.0° |
| C6 | C5 | H1 | 119.9° | 120.1° |
| C5 | C6 | H2 | 119.1° | 119.5° |
| C8 | C7 | C9 | 121.6° | 120.0° |
| C8 | C7 | C13 | 119.3° | 120.0° |
| C7 | C8 | H3 | 109.4° | 109.4° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C9 | C7 | C13 | 119.1° | 120.0° |
| C7 | C9 | C10 | 119.9° | 120.0° |
| C7 | C9 | CL17 | 117.5° | 120.1° |
| C7 | C13 | C19 | 121.1° | 120.0° |
| C7 | C13 | H7 | 119.4° | 120.0° |
| C10 | C9 | CL17 | 122.6° | 120.0° |
| C9 | C10 | C16 | 122.4° | 120.0° |
| C9 | C10 | H5 | 118.8° | 120.0° |
| C10 | C16 | C19 | 115.6° | 120.0° |
| C10 | C16 | CL20 | 123.4° | 120.0° |
| C16 | C10 | H5 | 118.8° | 120.0° |
| C14 | C12 | C15 | 126.7° | 120.0° |
| C14 | C12 | H6 | 116.6° | 120.1° |
| C12 | C14 | H8 | 108.7° | 109.5° |
| C12 | C14 | H9 | 108.8° | 109.5° |
| C12 | C15 | C21 | 125.7° | 120.0° |
| C15 | C12 | H6 | 116.6° | 119.9° |
| C12 | C15 | H10 | 117.1° | 120.0° |
| C13 | C19 | C16 | 121.9° | 120.0° |
| C19 | C13 | H7 | 119.4° | 120.0° |
| C13 | C19 | H12 | 119.1° | 120.0° |
| C15 | C21 | C22 | 120.8° | 120.1° |
| C15 | C21 | C23 | 122.7° | 120.1° |
| C21 | C15 | H10 | 117.1° | 120.0° |
| C19 | C16 | CL20 | 121.0° | 120.0° |
| C16 | C19 | H12 | 119.0° | 120.0° |
| C22 | C21 | C23 | 116.5° | 119.8° |
| C21 | C22 | C25 | 121.4° | 119.8° |
| C21 | C22 | H13 | 119.3° | 120.1° |
| C21 | C23 | C24 | 121.5° | 119.8° |
| C21 | C23 | H14 | 119.2° | 120.1° |
| C22 | C25 | C26 | 121.4° | 120.2° |
| C25 | C22 | H13 | 119.3° | 120.0° |
| C22 | C25 | H16 | 119.3° | 119.9° |
| C23 | C24 | C26 | 121.5° | 120.2° |
| C24 | C23 | H14 | 119.2° | 120.1° |
| C23 | C24 | H15 | 119.2° | 119.9° |
| C24 | C26 | C25 | 117.6° | 120.3° |
| C26 | C24 | H15 | 119.3° | 119.9° |
| C24 | C26 | H17 | 121.2° | 119.9° |
| C26 | C25 | H16 | 119.3° | 119.9° |
| C25 | C26 | H17 | 121.2° | 119.9° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C14 | 177.9° | 179.7° |
| C1 | C2 | N3 | O11 | 177.6° | 180.0° |
| C1 | C2 | N3 | C6 | 11.0° | 0.0° |
| C1 | C2 | N3 | C8 | 168.8° | 180.0° |
| C2 | C1 | C4 | C5 | 0.8° | 0.0° |
| C2 | C1 | C4 | O18 | 177.6° | 180.0° |
| C2 | C1 | C14 | C12 | 85.3° | 85.0° |
| C2 | C1 | C14 | H8 | 35.2° | 35.0° |
| C2 | C1 | C14 | H9 | 154.3° | 155.0° |
| C4 | C1 | C2 | N3 | 6.9° | 0.0° |
| C4 | C1 | C2 | O11 | 176.0° | 180.0° |
| C1 | C4 | C5 | O18 | 178.7° | 180.0° |
| C1 | C4 | C5 | C6 | 4.9° | 0.0° |
| C4 | C1 | C14 | C12 | 92.7° | 94.7° |
| C1 | C4 | C5 | H1 | 175.1° | 180.0° |
| C4 | C1 | C14 | H8 | 146.9° | 145.3° |
| C4 | C1 | C14 | H9 | 27.7° | 25.3° |
| C1 | C4 | O18 | H11 | 180.0° | 179.9° |
| C14 | C1 | C2 | N3 | 171.3° | 179.7° |
| C14 | C1 | C2 | O11 | 5.9° | 0.3° |
| C14 | C1 | C4 | C5 | 178.7° | 179.7° |
| C14 | C1 | C4 | O18 | 0.3° | 0.3° |
| C1 | C14 | C12 | H8 | 120.4° | 119.9° |
| C1 | C14 | C12 | H9 | 120.4° | 120.0° |
| C1 | C14 | C12 | C15 | 3.4° | 125.0° |
| C1 | C14 | C12 | H6 | 176.6° | 55.0° |
| C1 | C14 | H8 | H9 | 118.7° | 120.0° |
| C2 | N3 | C6 | C8 | 179.8° | 180.0° |
| C2 | N3 | C6 | C5 | 7.2° | 0.0° |
| C2 | N3 | C8 | C7 | 79.2° | 90.0° |
| C2 | N3 | C6 | H2 | 172.8° | 180.0° |
| C2 | N3 | C8 | H3 | 160.8° | 150.0° |
| C2 | N3 | C8 | H4 | 40.8° | 30.0° |
| O11 | C2 | N3 | C6 | 171.5° | 180.0° |
| O11 | C2 | N3 | C8 | 8.8° | 0.0° |
| N3 | C6 | C5 | C4 | 0.9° | 0.0° |
| N3 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | N3 | C8 | C7 | 100.6° | 90.0° |
| N3 | C6 | C5 | H1 | 179.1° | 180.0° |
| C6 | N3 | C8 | H3 | 19.4° | 30.0° |
| C6 | N3 | C8 | H4 | 139.4° | 150.0° |
| C8 | N3 | C6 | C5 | 172.6° | 180.0° |
| N3 | C8 | C7 | H3 | 120.0° | 120.0° |
| N3 | C8 | C7 | H4 | 120.0° | 120.0° |
| N3 | C8 | C7 | C9 | 168.9° | 80.0° |
| N3 | C8 | C7 | C13 | 10.7° | 100.3° |
| C8 | N3 | C6 | H2 | 7.4° | 0.0° |
| N3 | C8 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | O18 | H11 | 1.5° | 0.0° |
| O18 | C4 | C5 | C6 | 173.8° | 180.0° |
| O18 | C4 | C5 | H1 | 6.2° | 0.0° |
| C8 | C7 | C9 | C13 | 179.6° | 179.7° |
| C8 | C7 | C9 | C10 | 179.2° | 180.0° |
| C8 | C7 | C9 | CL17 | 0.3° | 0.0° |
| C8 | C7 | C13 | C19 | 179.4° | 180.0° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C8 | C7 | C13 | H7 | 0.7° | 0.0° |
| C7 | C9 | C10 | CL17 | 179.5° | 180.0° |
| C7 | C9 | C10 | C16 | 0.2° | 0.0° |
| C9 | C7 | C13 | C19 | 0.2° | 0.3° |
| C9 | C7 | C8 | H3 | 71.1° | 40.0° |
| C9 | C7 | C8 | H4 | 48.9° | 160.0° |
| C7 | C9 | C10 | H5 | 179.8° | 180.0° |
| C9 | C7 | C13 | H7 | 179.7° | 179.7° |
| C13 | C7 | C9 | C10 | 0.3° | 0.3° |
| C13 | C7 | C9 | CL17 | 179.8° | 179.7° |
| C7 | C13 | C19 | H7 | 180.0° | 180.0° |
| C7 | C13 | C19 | C16 | 0.0° | 0.0° |
| C13 | C7 | C8 | H3 | 109.3° | 139.7° |
| C13 | C7 | C8 | H4 | 130.7° | 19.8° |
| C7 | C13 | C19 | H12 | 180.0° | 180.0° |
| C9 | C10 | C16 | H5 | 180.0° | 180.0° |
| C9 | C10 | C16 | C19 | 0.1° | 0.3° |
| C9 | C10 | C16 | CL20 | 179.0° | 180.0° |
| CL17 | C9 | C10 | C16 | 179.7° | 180.0° |
| CL17 | C9 | C10 | H5 | 0.4° | 0.0° |
| C10 | C16 | C19 | C13 | 0.2° | 0.3° |
| C10 | C16 | C19 | CL20 | 179.1° | 179.8° |
| C10 | C16 | C19 | H12 | 179.8° | 179.7° |
| C14 | C12 | C15 | H6 | 180.0° | 179.9° |
| C14 | C12 | C15 | C21 | 178.1° | 180.0° |
| C12 | C14 | H8 | H9 | 118.7° | 120.0° |
| C14 | C12 | C15 | H10 | 1.9° | 0.0° |
| C12 | C15 | C21 | H10 | 180.0° | 179.9° |
| C12 | C15 | C21 | C22 | 23.5° | 180.0° |
| C12 | C15 | C21 | C23 | 154.5° | 0.2° |
| C15 | C12 | C14 | H8 | 117.0° | 5.0° |
| C15 | C12 | C14 | H9 | 123.8° | 115.0° |
| C13 | C19 | C16 | H12 | 180.0° | 180.0° |
| C13 | C19 | C16 | CL20 | 178.9° | 180.0° |
| C15 | C21 | C22 | C23 | 178.2° | 179.7° |
| C15 | C21 | C22 | C25 | 178.4° | 180.0° |
| C15 | C21 | C23 | C24 | 179.1° | 180.0° |
| C21 | C15 | C12 | H6 | 1.9° | 0.1° |
| C15 | C21 | C22 | H13 | 1.6° | 0.0° |
| C15 | C21 | C23 | H14 | 0.9° | 0.0° |
| C19 | C16 | C10 | H5 | 179.9° | 179.8° |
| C16 | C19 | C13 | H7 | 180.0° | 180.0° |
| CL20 | C16 | C10 | H5 | 1.0° | 0.0° |
| CL20 | C16 | C19 | H12 | 1.1° | 0.1° |
| C21 | C22 | C25 | H13 | 180.0° | 180.0° |
| C22 | C21 | C23 | C24 | 1.0° | 0.3° |
| C21 | C22 | C25 | C26 | 0.2° | 0.0° |
| C22 | C21 | C15 | H10 | 156.5° | 0.0° |
| C22 | C21 | C23 | H14 | 179.0° | 179.8° |
| C21 | C22 | C25 | H16 | 179.8° | 180.0° |
| C23 | C21 | C22 | C25 | 0.3° | 0.3° |
| C21 | C23 | C24 | H14 | 180.0° | 179.9° |
| C21 | C23 | C24 | C26 | 1.2° | 0.0° |
| C23 | C21 | C15 | H10 | 25.4° | 179.7° |
| C23 | C21 | C22 | H13 | 179.7° | 179.7° |
| C21 | C23 | C24 | H15 | 178.8° | 180.0° |
| C22 | C25 | C26 | C24 | 0.0° | 0.3° |
| C22 | C25 | C26 | H16 | 180.0° | 180.0° |
| C22 | C25 | C26 | H17 | 180.0° | 180.0° |
| C23 | C24 | C26 | H15 | 180.0° | 180.0° |
| C23 | C24 | C26 | C25 | 0.7° | 0.2° |
| C23 | C24 | C26 | H17 | 179.3° | 179.9° |
| C24 | C26 | C25 | H17 | 180.0° | 179.7° |
| C26 | C24 | C23 | H14 | 178.8° | 180.0° |
| C24 | C26 | C25 | H16 | 179.9° | 179.7° |
| C26 | C25 | C22 | H13 | 179.7° | 180.0° |
| C25 | C26 | C24 | H15 | 179.4° | 179.7° |
| H1 | C5 | C6 | H2 | 0.9° | 0.0° |
| H6 | C12 | C14 | H8 | 62.9° | 174.9° |
| H6 | C12 | C14 | H9 | 56.2° | 65.0° |
| H6 | C12 | C15 | H10 | 178.1° | 180.0° |
| H7 | C13 | C19 | H12 | 0.0° | 0.0° |
| H13 | C22 | C25 | H16 | 0.3° | 0.0° |
| H14 | C23 | C24 | H15 | 1.2° | 0.0° |
| H15 | C24 | C26 | H17 | 0.7° | 0.0° |
| H16 | C25 | C26 | H17 | 0.0° | 0.0° |
