OOK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C2 | N3 | doub | 1.31Å | 1.30Å | Aromatic |
| C2 | C17 | sing | 1.48Å | 1.47Å | Aromatic |
| N3 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.35Å | 1.36Å | |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| C6 | O21 | doub | 1.21Å | 1.21Å | |
| N7 | C8 | sing | 1.40Å | 1.39Å | |
| C8 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C23 | sing | 1.53Å | 1.55Å | |
| C10 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F27 | sing | 1.35Å | 1.36Å | |
| C12 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | F26 | sing | 1.35Å | 1.35Å | |
| C13 | C15 | sing | 1.47Å | 1.48Å | |
| C13 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | O22 | doub | 1.21Å | 1.22Å | |
| C15 | O30 | sing | 1.35Å | 1.33Å | |
| C16 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | F28 | sing | 1.35Å | 1.35Å | |
| C17 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | F29 | sing | 1.35Å | 1.34Å | |
| C23 | C35 | sing | 1.53Å | 1.54Å | |
| C23 | C36 | sing | 1.53Å | 1.55Å | |
| C24 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | CL34 | sing | 1.74Å | 1.73Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 106.8° | 107.2° |
| C2 | N1 | C9 | 127.0° | 126.4° |
| N1 | C2 | N3 | 110.4° | 109.8° |
| N1 | C2 | C17 | 124.2° | 125.1° |
| C4 | N1 | C9 | 126.2° | 126.4° |
| N1 | C4 | C5 | 106.3° | 106.2° |
| N1 | C4 | C10 | 133.0° | 133.8° |
| N1 | C9 | C6 | 108.1° | 109.5° |
| N1 | C9 | C23 | 109.3° | 109.5° |
| N1 | C9 | H9 | 113.0° | 109.4° |
| N3 | C2 | C17 | 125.3° | 125.2° |
| C2 | N3 | C5 | 109.2° | 109.7° |
| C2 | C17 | C24 | 118.6° | 120.1° |
| C2 | C17 | C25 | 120.1° | 120.1° |
| N3 | C5 | C4 | 107.3° | 107.2° |
| N3 | C5 | C14 | 132.8° | 133.3° |
| C5 | C4 | C10 | 120.6° | 120.0° |
| C4 | C5 | C14 | 119.8° | 119.5° |
| C4 | C10 | C16 | 119.1° | 119.9° |
| C4 | C10 | H10 | 120.4° | 120.1° |
| C5 | C14 | C18 | 118.4° | 119.8° |
| C5 | C14 | H14 | 120.8° | 120.1° |
| N7 | C6 | C9 | 117.6° | 120.0° |
| N7 | C6 | O21 | 121.0° | 120.0° |
| C6 | N7 | C8 | 123.1° | 120.0° |
| C6 | N7 | HN7 | 118.4° | 120.0° |
| C9 | C6 | O21 | 121.4° | 120.0° |
| C6 | C9 | C23 | 115.8° | 109.5° |
| C6 | C9 | H9 | 106.0° | 109.5° |
| N7 | C8 | C11 | 120.8° | 119.9° |
| N7 | C8 | C12 | 118.6° | 119.9° |
| C8 | N7 | HN7 | 118.4° | 120.0° |
| C11 | C8 | C12 | 120.6° | 120.2° |
| C8 | C11 | C20 | 119.1° | 120.0° |
| C8 | C11 | F27 | 120.6° | 120.0° |
| C8 | C12 | C19 | 120.0° | 120.0° |
| C8 | C12 | F26 | 121.4° | 119.9° |
| C9 | C23 | C35 | 109.9° | 109.5° |
| C9 | C23 | C36 | 110.1° | 109.5° |
| C23 | C9 | H9 | 104.8° | 109.5° |
| C9 | C23 | H23 | 109.0° | 109.4° |
| C10 | C16 | C18 | 120.2° | 120.4° |
| C10 | C16 | F28 | 119.5° | 119.8° |
| C16 | C10 | H10 | 120.5° | 120.0° |
| C20 | C11 | F27 | 120.3° | 120.0° |
| C11 | C20 | C13 | 120.2° | 120.0° |
| C11 | C20 | H20 | 119.9° | 120.1° |
| C19 | C12 | F26 | 118.6° | 120.0° |
| C12 | C19 | C13 | 120.0° | 120.0° |
| C12 | C19 | H19 | 120.0° | 120.1° |
| C15 | C13 | C19 | 119.1° | 120.1° |
| C15 | C13 | C20 | 120.8° | 120.1° |
| C13 | C15 | O22 | 121.9° | 120.0° |
| C13 | C15 | O30 | 119.3° | 120.0° |
| C19 | C13 | C20 | 120.1° | 119.8° |
| C13 | C19 | H19 | 120.0° | 120.0° |
| C13 | C20 | H20 | 119.9° | 120.0° |
| C14 | C18 | C16 | 121.8° | 120.5° |
| C14 | C18 | F29 | 119.3° | 119.7° |
| C18 | C14 | H14 | 120.8° | 120.1° |
| O22 | C15 | O30 | 118.8° | 120.0° |
| C15 | O30 | H30 | 109.5° | 117.0° |
| C18 | C16 | F28 | 120.3° | 119.8° |
| C16 | C18 | F29 | 118.7° | 119.8° |
| C24 | C17 | C25 | 121.0° | 119.8° |
| C17 | C24 | C33 | 119.1° | 119.9° |
| C17 | C24 | H24 | 120.5° | 120.1° |
| C17 | C25 | C32 | 118.8° | 119.9° |
| C17 | C25 | H25 | 120.6° | 120.1° |
| C35 | C23 | C36 | 110.0° | 109.5° |
| C23 | C35 | C37 | 111.3° | 109.5° |
| C35 | C23 | H23 | 109.1° | 109.5° |
| C23 | C35 | H35 | 108.9° | 109.4° |
| C23 | C35 | H35A | 108.9° | 109.5° |
| C23 | C36 | C38 | 111.2° | 109.5° |
| C36 | C23 | H23 | 108.8° | 109.5° |
| C23 | C36 | H36 | 108.9° | 109.5° |
| C23 | C36 | H36A | 108.9° | 109.5° |
| C24 | C33 | C31 | 120.4° | 120.1° |
| C33 | C24 | H24 | 120.4° | 120.0° |
| C24 | C33 | H33 | 119.8° | 119.9° |
| C25 | C32 | C31 | 119.7° | 120.1° |
| C32 | C25 | H25 | 120.6° | 120.1° |
| C25 | C32 | H32 | 120.1° | 119.9° |
| C32 | C31 | C33 | 120.8° | 120.2° |
| C32 | C31 | CL34 | 121.1° | 119.9° |
| C31 | C32 | H32 | 120.2° | 119.9° |
| C33 | C31 | CL34 | 118.2° | 119.9° |
| C31 | C33 | H33 | 119.8° | 119.9° |
| C35 | C37 | C39 | 111.6° | 109.5° |
| C37 | C35 | H35 | 108.9° | 109.5° |
| C37 | C35 | H35A | 108.8° | 109.5° |
| C35 | C37 | H37 | 108.8° | 109.5° |
| C35 | C37 | H37A | 108.8° | 109.5° |
| C36 | C38 | C39 | 108.0° | 109.4° |
| C38 | C36 | H36 | 108.9° | 109.5° |
| C38 | C36 | H36A | 108.9° | 109.4° |
| C36 | C38 | H38 | 110.0° | 109.5° |
| C36 | C38 | H38A | 110.0° | 109.5° |
| C37 | C39 | C38 | 110.8° | 109.5° |
| C39 | C37 | H37 | 108.7° | 109.4° |
| C39 | C37 | H37A | 108.8° | 109.5° |
| C37 | C39 | H39 | 109.0° | 109.5° |
| C37 | C39 | H39A | 109.0° | 109.5° |
| C39 | C38 | H38 | 110.0° | 109.5° |
| C39 | C38 | H38A | 110.0° | 109.5° |
| C38 | C39 | H39 | 109.1° | 109.4° |
| C38 | C39 | H39A | 109.0° | 109.5° |
| H35 | C35 | H35A | 110.1° | 109.5° |
| H36 | C36 | H36A | 110.0° | 109.5° |
| H37 | C37 | H37A | 110.2° | 109.5° |
| H38 | C38 | H38A | 109.0° | 109.5° |
| H39 | C39 | H39A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C4 | C9 | 178.4° | 179.7° |
| N1 | C2 | N3 | C17 | 177.4° | 179.9° |
| N1 | C2 | N3 | C5 | 0.7° | 0.0° |
| C2 | N1 | C4 | C5 | 1.0° | 0.0° |
| C2 | N1 | C4 | C10 | 179.9° | 180.0° |
| C2 | N1 | C9 | C6 | 122.7° | 64.2° |
| C2 | N1 | C9 | C23 | 110.5° | 175.8° |
| N1 | C2 | C17 | C24 | 60.9° | 161.2° |
| N1 | C2 | C17 | C25 | 113.5° | 19.2° |
| C2 | N1 | C9 | H9 | 5.7° | 55.7° |
| C4 | N1 | C2 | N3 | 1.1° | 0.0° |
| C4 | N1 | C2 | C17 | 178.5° | 179.9° |
| N1 | C4 | C5 | N3 | 0.5° | 0.0° |
| N1 | C4 | C5 | C10 | 179.3° | 180.0° |
| N1 | C4 | C5 | C14 | 177.9° | 179.9° |
| C4 | N1 | C9 | C6 | 59.2° | 115.5° |
| C4 | N1 | C9 | C23 | 67.6° | 4.6° |
| N1 | C4 | C10 | C16 | 179.5° | 180.0° |
| C4 | N1 | C9 | H9 | 176.2° | 124.6° |
| N1 | C4 | C10 | H10 | 0.5° | 0.1° |
| C9 | N1 | C2 | N3 | 177.3° | 179.7° |
| C9 | N1 | C2 | C17 | 0.1° | 0.2° |
| C9 | N1 | C4 | C5 | 177.5° | 179.7° |
| C9 | N1 | C4 | C10 | 1.7° | 0.3° |
| N1 | C9 | C6 | N7 | 40.3° | 146.2° |
| N1 | C9 | C6 | C23 | 122.9° | 120.0° |
| N1 | C9 | C6 | H9 | 121.4° | 119.9° |
| N1 | C9 | C6 | O21 | 141.0° | 33.9° |
| N1 | C9 | C23 | H9 | 121.3° | 120.0° |
| N1 | C9 | C23 | C35 | 164.7° | 173.3° |
| N1 | C9 | C23 | C36 | 43.5° | 66.8° |
| N1 | C9 | C23 | H23 | 75.8° | 53.3° |
| C2 | N3 | C5 | C4 | 0.1° | 0.0° |
| C2 | N3 | C5 | C14 | 176.8° | 179.9° |
| N3 | C2 | C17 | C24 | 122.1° | 18.7° |
| N3 | C2 | C17 | C25 | 63.6° | 160.9° |
| C17 | C2 | N3 | C5 | 178.1° | 179.9° |
| C2 | C17 | C24 | C25 | 174.3° | 179.6° |
| C2 | C17 | C24 | C33 | 179.3° | 180.0° |
| C2 | C17 | C25 | C32 | 179.4° | 180.0° |
| C2 | C17 | C24 | H24 | 0.7° | 0.2° |
| C2 | C17 | C25 | H25 | 0.6° | 0.1° |
| N3 | C5 | C4 | C14 | 177.4° | 179.9° |
| N3 | C5 | C4 | C10 | 179.8° | 180.0° |
| N3 | C5 | C14 | C18 | 178.9° | 179.9° |
| N3 | C5 | C14 | H14 | 1.1° | 0.1° |
| C5 | C4 | C10 | C16 | 0.5° | 0.0° |
| C4 | C5 | C14 | C18 | 2.4° | 0.0° |
| C5 | C4 | C10 | H10 | 179.5° | 179.9° |
| C4 | C5 | C14 | H14 | 177.7° | 180.0° |
| C10 | C4 | C5 | C14 | 2.8° | 0.0° |
| C4 | C10 | C16 | H10 | 180.0° | 179.9° |
| C4 | C10 | C16 | C18 | 2.2° | 0.0° |
| C4 | C10 | C16 | F28 | 179.7° | 180.0° |
| C5 | C14 | C18 | H14 | 180.0° | 180.0° |
| C5 | C14 | C18 | C16 | 0.3° | 0.0° |
| C5 | C14 | C18 | F29 | 174.3° | 180.0° |
| N7 | C6 | C9 | O21 | 178.7° | 179.9° |
| C6 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C6 | N7 | C8 | C11 | 82.5° | 138.6° |
| C6 | N7 | C8 | C12 | 94.5° | 41.6° |
| N7 | C6 | C9 | C23 | 163.2° | 93.8° |
| N7 | C6 | C9 | H9 | 81.1° | 26.2° |
| C9 | C6 | N7 | C8 | 179.1° | 175.7° |
| C6 | C9 | C23 | H9 | 116.4° | 120.0° |
| C6 | C9 | C23 | C35 | 73.0° | 53.3° |
| C6 | C9 | C23 | C36 | 165.8° | 173.2° |
| C9 | C6 | N7 | HN7 | 0.9° | 4.3° |
| C6 | C9 | C23 | H23 | 46.5° | 66.7° |
| O21 | C6 | N7 | C8 | 2.2° | 4.4° |
| O21 | C6 | C9 | C23 | 18.0° | 86.1° |
| O21 | C6 | N7 | HN7 | 177.9° | 175.6° |
| O21 | C6 | C9 | H9 | 97.6° | 153.8° |
| N7 | C8 | C11 | C12 | 177.0° | 179.8° |
| N7 | C8 | C11 | C20 | 177.9° | 180.0° |
| N7 | C8 | C11 | F27 | 2.2° | 0.0° |
| N7 | C8 | C12 | C19 | 178.8° | 180.0° |
| N7 | C8 | C12 | F26 | 0.1° | 0.0° |
| C8 | C11 | C20 | F27 | 179.9° | 180.0° |
| C11 | C8 | C12 | C19 | 1.7° | 0.3° |
| C11 | C8 | C12 | F26 | 176.9° | 179.8° |
| C8 | C11 | C20 | C13 | 0.3° | 0.0° |
| C11 | C8 | N7 | HN7 | 97.5° | 41.4° |
| C8 | C11 | C20 | H20 | 179.7° | 180.0° |
| C12 | C8 | C11 | C20 | 0.9° | 0.2° |
| C12 | C8 | C11 | F27 | 179.2° | 179.7° |
| C8 | C12 | C19 | F26 | 178.7° | 180.0° |
| C8 | C12 | C19 | C13 | 1.2° | 0.0° |
| C12 | C8 | N7 | HN7 | 85.5° | 138.3° |
| C8 | C12 | C19 | H19 | 178.8° | 179.9° |
| C9 | C23 | C35 | C36 | 121.3° | 120.0° |
| C9 | C23 | C35 | H23 | 119.4° | 120.0° |
| C9 | C23 | C36 | H23 | 119.4° | 120.0° |
| C9 | C23 | C35 | C37 | 176.0° | NaN° |
| C9 | C23 | C36 | C38 | 179.6° | 180.0° |
| C9 | C23 | C35 | H35 | 64.0° | 60.0° |
| C9 | C23 | C35 | H35A | 56.0° | 60.0° |
| C9 | C23 | C36 | H36 | 60.4° | 60.0° |
| C9 | C23 | C36 | H36A | 59.6° | 60.0° |
| C10 | C16 | C18 | C14 | 2.7° | 0.0° |
| C10 | C16 | C18 | F28 | 178.0° | 179.9° |
| C10 | C16 | C18 | F29 | 176.7° | 180.0° |
| C11 | C20 | C13 | C15 | 178.6° | 180.0° |
| C11 | C20 | C13 | C19 | 0.8° | 0.2° |
| C11 | C20 | C13 | H20 | 180.0° | 180.0° |
| F27 | C11 | C20 | C13 | 179.5° | 180.0° |
| F27 | C11 | C20 | H20 | 0.5° | 0.0° |
| C12 | C19 | C13 | C15 | 177.9° | 179.9° |
| C12 | C19 | C13 | H19 | 180.0° | 179.9° |
| C12 | C19 | C13 | C20 | 0.0° | 0.2° |
| F26 | C12 | C19 | C13 | 177.4° | 180.0° |
| F26 | C12 | C19 | H19 | 2.6° | 0.1° |
| C15 | C13 | C19 | C20 | 177.9° | 179.7° |
| C13 | C15 | O22 | O30 | 177.4° | 179.9° |
| C15 | C13 | C19 | H19 | 2.1° | 0.1° |
| C15 | C13 | C20 | H20 | 1.3° | 0.0° |
| C13 | C15 | O30 | H30 | 177.5° | 180.0° |
| C19 | C13 | C15 | O22 | 6.8° | 0.0° |
| C19 | C13 | C15 | O30 | 170.6° | 180.0° |
| C19 | C13 | C20 | H20 | 179.2° | 179.8° |
| C20 | C13 | C15 | O22 | 175.3° | 179.7° |
| C20 | C13 | C15 | O30 | 7.3° | 0.3° |
| C20 | C13 | C19 | H19 | 180.0° | 179.7° |
| C14 | C18 | C16 | F29 | 174.0° | 180.0° |
| C14 | C18 | C16 | F28 | 179.2° | 180.0° |
| O22 | C15 | O30 | H30 | 0.0° | 0.0° |
| C18 | C16 | C10 | H10 | 177.7° | 180.0° |
| C16 | C18 | C14 | H14 | 179.6° | 180.0° |
| F28 | C16 | C18 | F29 | 5.3° | 0.0° |
| F28 | C16 | C10 | H10 | 0.3° | 0.1° |
| C17 | C24 | C33 | H24 | 180.0° | 179.8° |
| C24 | C17 | C25 | C32 | 5.2° | 0.3° |
| C17 | C24 | C33 | C31 | 2.8° | 0.0° |
| C24 | C17 | C25 | H25 | 174.8° | 179.7° |
| C17 | C24 | C33 | H33 | 177.2° | 180.0° |
| C25 | C17 | C24 | C33 | 5.0° | 0.3° |
| C17 | C25 | C32 | H25 | 180.0° | 180.0° |
| C17 | C25 | C32 | C31 | 3.2° | 0.0° |
| C25 | C17 | C24 | H24 | 175.0° | 179.8° |
| C17 | C25 | C32 | H32 | 176.8° | 180.0° |
| F29 | C18 | C14 | H14 | 5.7° | 0.0° |
| C35 | C23 | C36 | H23 | 119.5° | 120.0° |
| C23 | C35 | C37 | H35 | 120.0° | 119.9° |
| C23 | C35 | C37 | H35A | 120.0° | 120.0° |
| C35 | C23 | C36 | C38 | 59.2° | 60.0° |
| C23 | C35 | C37 | C39 | 53.9° | 60.0° |
| C35 | C23 | C9 | H9 | 43.4° | 66.8° |
| C23 | C35 | H35 | H35A | 119.3° | 120.0° |
| C35 | C23 | C36 | H36 | 60.8° | 60.0° |
| C35 | C23 | C36 | H36A | 179.2° | 180.0° |
| C23 | C35 | C37 | H37 | 66.1° | 60.0° |
| C23 | C35 | C37 | H37A | 173.9° | 180.0° |
| C36 | C23 | C35 | C37 | 54.7° | 60.0° |
| C23 | C36 | C38 | H36 | 120.0° | 120.0° |
| C23 | C36 | C38 | H36A | 120.0° | 120.0° |
| C23 | C36 | C38 | C39 | 61.0° | 60.0° |
| C36 | C23 | C9 | H9 | 77.9° | 53.2° |
| C36 | C23 | C35 | H35 | 174.7° | 180.0° |
| C36 | C23 | C35 | H35A | 65.3° | 60.0° |
| C23 | C36 | H36 | H36A | 119.3° | 120.0° |
| C23 | C36 | C38 | H38 | 179.0° | 180.0° |
| C23 | C36 | C38 | H38A | 59.0° | 60.0° |
| C24 | C33 | C31 | C32 | 0.9° | 0.3° |
| C24 | C33 | C31 | H33 | 180.0° | 180.0° |
| C24 | C33 | C31 | CL34 | 178.7° | 180.0° |
| C25 | C32 | C31 | H32 | 180.0° | 180.0° |
| C25 | C32 | C31 | C33 | 1.0° | 0.3° |
| C25 | C32 | C31 | CL34 | 178.4° | 180.0° |
| C32 | C31 | C33 | CL34 | 179.5° | 179.7° |
| C31 | C32 | C25 | H25 | 176.8° | 180.0° |
| C32 | C31 | C33 | H33 | 179.1° | 179.7° |
| C31 | C33 | C24 | H24 | 177.2° | 179.9° |
| C33 | C31 | C32 | H32 | 179.0° | 179.7° |
| CL34 | C31 | C32 | H32 | 1.5° | 0.0° |
| CL34 | C31 | C33 | H33 | 1.3° | 0.0° |
| C35 | C37 | C39 | H37 | 120.0° | 120.0° |
| C35 | C37 | C39 | H37A | 120.0° | 120.0° |
| C35 | C37 | C39 | C38 | 56.5° | 60.0° |
| C37 | C35 | C23 | H23 | 64.6° | 60.0° |
| C37 | C35 | H35 | H35A | 119.2° | 120.0° |
| C35 | C37 | H37 | H37A | 119.2° | 120.0° |
| C35 | C37 | C39 | H39 | 176.5° | 180.0° |
| C35 | C37 | C39 | H39A | 63.5° | 60.0° |
| C36 | C38 | C39 | C37 | 59.0° | 60.0° |
| C36 | C38 | C39 | H38 | 120.0° | 120.0° |
| C36 | C38 | C39 | H38A | 120.0° | 120.0° |
| C38 | C36 | C23 | H23 | 60.2° | 60.0° |
| C38 | C36 | H36 | H36A | 119.3° | 119.9° |
| C36 | C38 | H38 | H38A | 120.6° | 120.0° |
| C36 | C38 | C39 | H39 | 178.9° | 180.0° |
| C36 | C38 | C39 | H39A | 61.0° | 60.0° |
| C37 | C39 | C38 | H39 | 120.0° | 120.0° |
| C37 | C39 | C38 | H39A | 120.0° | 120.0° |
| C39 | C37 | C35 | H35 | 173.9° | 179.9° |
| C39 | C37 | C35 | H35A | 66.1° | 60.0° |
| C39 | C37 | H37 | H37A | 119.1° | 120.0° |
| C37 | C39 | C38 | H38 | 178.9° | 180.0° |
| C37 | C39 | C38 | H38A | 61.0° | 60.0° |
| C37 | C39 | H39 | H39A | 119.4° | 120.0° |
| C39 | C38 | C36 | H36 | 59.0° | 60.0° |
| C39 | C38 | C36 | H36A | 179.0° | 180.0° |
| C38 | C39 | C37 | H37 | 63.5° | 60.0° |
| C38 | C39 | C37 | H37A | 176.6° | 180.0° |
| C39 | C38 | H38 | H38A | 120.6° | 120.0° |
| C38 | C39 | H39 | H39A | 119.5° | 120.0° |
| H9 | C9 | C23 | H23 | 162.8° | 173.2° |
| H23 | C23 | C35 | H35 | 55.4° | 59.9° |
| H23 | C23 | C35 | H35A | 175.4° | 180.0° |
| H23 | C23 | C36 | H36 | 179.8° | 180.0° |
| H23 | C23 | C36 | H36A | 59.8° | 60.0° |
| H24 | C24 | C33 | H33 | 2.8° | 0.1° |
| H25 | C25 | C32 | H32 | 3.2° | 0.0° |
| H35 | C35 | C37 | H37 | 53.9° | 60.0° |
| H35 | C35 | C37 | H37A | 66.1° | 60.1° |
| H35A | C35 | C37 | H37 | 173.9° | 180.0° |
| H35A | C35 | C37 | H37A | 53.9° | 60.0° |
| H36 | C36 | C38 | H38 | 61.0° | 60.0° |
| H36 | C36 | C38 | H38A | 179.0° | NaN° |
| H36A | C36 | C38 | H38 | 59.0° | 60.0° |
| H36A | C36 | C38 | H38A | 61.0° | 60.0° |
| H37 | C37 | C39 | H39 | 56.6° | 60.0° |
| H37 | C37 | C39 | H39A | 176.5° | 180.0° |
| H37A | C37 | C39 | H39 | 63.4° | 60.0° |
| H37A | C37 | C39 | H39A | 56.6° | 60.0° |
| H38 | C38 | C39 | H39 | 61.1° | 60.1° |
| H38 | C38 | C39 | H39A | 58.9° | 59.9° |
| H38A | C38 | C39 | H39 | 58.9° | 60.0° |
| H38A | C38 | C39 | H39A | 179.0° | 180.0° |
