A1BI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N8 | sing | 1.39Å | 1.47Å | |
| N3 | C4 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C38 | sing | 1.53Å | 1.55Å | |
| C7 | C39 | sing | 1.53Å | 1.55Å | |
| N8 | C9 | sing | 1.35Å | 1.47Å | |
| C9 | C10 | sing | 1.48Å | 1.54Å | |
| C9 | O11 | doub | 1.22Å | 1.19Å | |
| C10 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.55Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.47Å | Aromatic |
| C17 | N21 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C18 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.36Å | 1.29Å | Aromatic |
| C19 | N25 | sing | 1.33Å | 1.33Å | Aromatic |
| N20 | N21 | sing | 1.40Å | 1.31Å | Aromatic |
| N20 | C26 | sing | 1.46Å | 1.47Å | |
| C22 | N23 | doub | 1.33Å | 1.33Å | Aromatic |
| C22 | N27 | sing | 1.38Å | 1.46Å | |
| N23 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C32 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | N31 | sing | 1.47Å | 1.46Å | |
| N31 | C32 | sing | 1.47Å | 1.46Å | |
| N31 | C33 | sing | 1.35Å | 1.48Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C33 | O35 | doub | 1.21Å | 1.19Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.50Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| N27 | H27B | sing | 0.97Å | 1.00Å | |
| N27 | H27A | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 119.1° |
| C1 | C2 | N3 | 119.9° | 120.6° |
| C1 | C2 | N8 | 122.1° | 119.7° |
| C2 | C1 | H1 | 120.1° | 120.5° |
| C1 | C6 | C5 | 120.1° | 118.5° |
| C1 | C6 | C7 | 120.5° | 120.7° |
| C6 | C1 | H1 | 120.1° | 120.5° |
| N3 | C2 | N8 | 118.0° | 119.7° |
| C2 | N3 | C4 | 120.4° | 121.7° |
| C2 | N8 | C9 | 124.0° | 120.0° |
| C2 | N8 | H8 | 118.0° | 120.0° |
| N3 | C4 | C5 | 119.9° | 120.8° |
| N3 | C4 | H4 | 120.0° | 119.7° |
| C4 | C5 | C6 | 119.9° | 119.3° |
| C5 | C4 | H4 | 120.1° | 119.5° |
| C4 | C5 | H5 | 120.0° | 120.3° |
| C5 | C6 | C7 | 119.4° | 120.8° |
| C6 | C5 | H5 | 120.0° | 120.4° |
| C6 | C7 | C38 | 129.6° | 117.5° |
| C6 | C7 | C39 | 131.8° | 117.5° |
| C6 | C7 | H7 | 109.6° | 115.6° |
| C38 | C7 | C39 | 57.6° | 60.0° |
| C7 | C38 | C39 | 61.2° | 60.0° |
| C38 | C7 | H7 | 109.4° | 117.5° |
| C7 | C38 | H38B | 119.8° | 117.5° |
| C7 | C38 | H38A | 119.8° | 117.5° |
| C7 | C39 | C38 | 61.2° | 60.0° |
| C39 | C7 | H7 | 109.4° | 117.5° |
| C7 | C39 | H39B | 119.8° | 117.5° |
| C7 | C39 | H39A | 119.8° | 117.5° |
| N8 | C9 | C10 | 117.1° | 120.0° |
| N8 | C9 | O11 | 122.6° | 120.0° |
| C9 | N8 | H8 | 118.0° | 120.0° |
| C10 | C9 | O11 | 120.2° | 120.0° |
| C9 | C10 | C12 | 121.9° | 120.0° |
| C9 | C10 | C16 | 119.3° | 120.0° |
| C12 | C10 | C16 | 118.8° | 119.9° |
| C10 | C12 | C13 | 120.1° | 120.0° |
| C10 | C12 | H12 | 119.9° | 120.0° |
| C10 | C16 | C15 | 120.4° | 120.0° |
| C10 | C16 | H16 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.1° |
| C13 | C14 | C17 | 120.3° | 119.9° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C15 | C14 | C17 | 119.4° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C14 | C17 | C18 | 126.5° | 126.3° |
| C14 | C17 | N21 | 126.2° | 126.3° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C18 | C17 | N21 | 107.3° | 107.4° |
| C17 | C18 | C19 | 103.9° | 106.5° |
| C17 | C18 | C22 | 140.5° | 135.0° |
| C17 | N21 | N20 | 107.5° | 109.9° |
| C19 | C18 | C22 | 115.6° | 118.5° |
| C18 | C19 | N20 | 105.9° | 106.9° |
| C18 | C19 | N25 | 125.8° | 118.7° |
| C18 | C22 | N23 | 120.4° | 118.4° |
| C18 | C22 | N27 | 119.7° | 120.8° |
| N20 | C19 | N25 | 128.2° | 134.4° |
| C19 | N20 | N21 | 115.4° | 109.4° |
| C19 | N20 | C26 | 123.3° | 125.3° |
| C19 | N25 | C24 | 111.5° | 120.7° |
| N21 | N20 | C26 | 121.3° | 125.3° |
| N20 | C26 | C28 | 109.4° | 109.5° |
| N20 | C26 | C32 | 110.1° | 109.5° |
| N20 | C26 | H26 | 109.9° | 109.5° |
| N23 | C22 | N27 | 119.9° | 120.8° |
| C22 | N23 | C24 | 118.0° | 121.1° |
| C22 | N27 | H27B | 109.5° | 120.0° |
| C22 | N27 | H27A | 109.4° | 120.0° |
| N23 | C24 | N25 | 128.6° | 122.7° |
| N23 | C24 | H24 | 115.7° | 118.6° |
| N25 | C24 | H24 | 115.7° | 118.7° |
| C28 | C26 | C32 | 109.3° | 109.3° |
| C26 | C28 | C29 | 114.6° | 109.5° |
| C28 | C26 | H26 | 109.0° | 109.5° |
| C26 | C28 | H28A | 108.2° | 109.4° |
| C26 | C28 | H28B | 108.2° | 109.5° |
| C26 | C32 | N31 | 110.6° | 108.8° |
| C32 | C26 | H26 | 109.1° | 109.5° |
| C26 | C32 | H32B | 109.2° | 109.6° |
| C26 | C32 | H32A | 109.2° | 109.6° |
| C28 | C29 | C30 | 112.0° | 109.3° |
| C29 | C28 | H28A | 108.2° | 109.4° |
| C29 | C28 | H28B | 108.1° | 109.5° |
| C28 | C29 | H29A | 108.9° | 109.6° |
| C28 | C29 | H29B | 108.8° | 109.5° |
| C29 | C30 | N31 | 109.7° | 108.7° |
| C30 | C29 | H29A | 108.8° | 109.4° |
| C30 | C29 | H29B | 108.8° | 109.5° |
| C29 | C30 | H30B | 109.4° | 109.6° |
| C29 | C30 | H30A | 109.4° | 109.6° |
| C30 | N31 | C32 | 119.1° | 118.7° |
| C30 | N31 | C33 | 120.8° | 120.7° |
| N31 | C30 | H30B | 109.4° | 109.6° |
| N31 | C30 | H30A | 109.4° | 109.6° |
| C32 | N31 | C33 | 120.1° | 120.6° |
| N31 | C32 | H32B | 109.2° | 109.6° |
| N31 | C32 | H32A | 109.2° | 109.7° |
| N31 | C33 | C34 | 120.7° | 120.0° |
| N31 | C33 | O35 | 119.7° | 120.0° |
| C34 | C33 | O35 | 119.5° | 120.0° |
| C33 | C34 | C36 | 115.3° | 117.5° |
| C33 | C34 | C37 | 116.2° | 117.5° |
| C33 | C34 | H34 | 117.5° | 115.5° |
| C36 | C34 | C37 | 60.1° | 60.0° |
| C34 | C36 | C37 | 59.9° | 60.0° |
| C36 | C34 | H34 | 117.6° | 117.5° |
| C34 | C36 | H36A | 120.0° | 117.5° |
| C34 | C36 | H36B | 120.0° | 117.5° |
| C34 | C37 | C36 | 60.1° | 60.0° |
| C37 | C34 | H34 | 117.7° | 117.6° |
| C34 | C37 | H37A | 120.0° | 117.5° |
| C34 | C37 | H37B | 120.0° | 117.5° |
| C37 | C36 | H36A | 120.0° | 117.5° |
| C37 | C36 | H36B | 120.0° | 117.5° |
| C36 | C37 | H37A | 120.0° | 117.5° |
| C36 | C37 | H37B | 120.0° | 117.5° |
| C39 | C38 | H38B | 119.8° | 117.6° |
| C39 | C38 | H38A | 119.8° | 117.5° |
| C38 | C39 | H39B | 119.8° | 117.5° |
| C38 | C39 | H39A | 119.8° | 117.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30B | C30 | H30A | 109.5° | 109.7° |
| H32B | C32 | H32A | 109.5° | 109.6° |
| H36A | C36 | H36B | 109.5° | 115.5° |
| H37A | C37 | H37B | 109.4° | 115.5° |
| H38B | C38 | H38A | 109.5° | 115.5° |
| H39B | C39 | H39A | 109.5° | 115.6° |
| H27B | N27 | H27A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | N3 | N8 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C1 | C2 | N8 | C9 | 15.8° | 174.4° |
| C1 | C2 | N8 | H8 | 164.1° | 5.6° |
| C6 | C1 | C2 | N3 | 0.0° | 0.0° |
| C6 | C1 | C2 | N8 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | C7 | 180.0° | 180.0° |
| C1 | C6 | C7 | C38 | 133.1° | 120.1° |
| C1 | C6 | C7 | C39 | 148.0° | 171.4° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C7 | H7 | 5.7° | 25.6° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | N8 | C9 | 164.2° | 5.5° |
| C2 | N3 | C4 | H4 | 179.9° | 180.0° |
| N3 | C2 | C1 | H1 | 180.0° | 180.0° |
| N3 | C2 | N8 | H8 | 15.9° | 174.5° |
| N8 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N8 | C9 | H8 | 180.0° | 180.0° |
| C2 | N8 | C9 | C10 | 179.7° | 175.3° |
| C2 | N8 | C9 | O11 | 0.1° | 4.7° |
| N8 | C2 | C1 | H1 | 0.0° | 0.0° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C38 | 46.8° | 60.0° |
| C5 | C6 | C7 | C39 | 32.0° | 8.6° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 174.3° | 154.4° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C7 | C38 | C39 | 119.9° | 107.5° |
| C6 | C7 | C38 | H7 | 138.9° | 145.0° |
| C6 | C7 | C39 | H7 | 142.3° | 145.1° |
| C7 | C6 | C5 | H5 | 0.0° | 0.0° |
| C7 | C6 | C1 | H1 | 0.1° | 0.0° |
| C6 | C7 | C38 | H38B | 130.3° | 145.0° |
| C6 | C7 | C38 | H38A | 10.1° | 0.0° |
| C6 | C7 | C39 | H39B | 6.7° | 0.0° |
| C6 | C7 | C39 | H39A | 133.7° | 145.0° |
| C38 | C7 | C39 | H7 | 101.2° | 107.4° |
| C7 | C38 | C39 | H38B | 109.8° | 107.5° |
| C7 | C38 | C39 | H38A | 109.8° | 107.5° |
| C7 | C38 | H38B | H38A | 144.1° | 145.6° |
| C38 | C7 | C39 | H39B | 109.8° | 107.5° |
| C38 | C7 | C39 | H39A | 109.8° | 107.4° |
| C7 | C39 | H39B | H39A | 144.1° | 145.7° |
| N8 | C9 | C10 | O11 | 179.8° | 180.0° |
| N8 | C9 | C10 | C12 | 137.1° | 179.9° |
| N8 | C9 | C10 | C16 | 42.9° | 0.3° |
| C9 | C10 | C12 | C16 | 180.0° | 179.7° |
| C9 | C10 | C12 | C13 | 179.8° | 179.8° |
| C9 | C10 | C16 | C15 | 179.9° | 179.7° |
| C9 | C10 | C12 | H12 | 0.2° | 0.3° |
| C9 | C10 | C16 | H16 | 0.1° | 0.3° |
| C10 | C9 | N8 | H8 | 0.4° | 4.8° |
| O11 | C9 | C10 | C12 | 43.1° | 0.0° |
| O11 | C9 | C10 | C16 | 136.9° | 179.7° |
| O11 | C9 | N8 | H8 | 179.8° | 175.3° |
| C10 | C12 | C13 | H12 | 180.0° | 179.9° |
| C10 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C10 | C16 | C15 | 0.1° | 0.1° |
| C10 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C10 | C16 | H16 | 179.9° | 180.0° |
| C16 | C10 | C12 | C13 | 0.2° | 0.1° |
| C10 | C16 | C15 | C14 | 0.0° | 0.0° |
| C10 | C16 | C15 | H16 | 180.0° | 180.0° |
| C10 | C16 | C15 | H15 | 180.0° | 180.0° |
| C16 | C10 | C12 | H12 | 179.8° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | C17 | 179.9° | 180.0° |
| C13 | C14 | C15 | C17 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C17 | C18 | 56.3° | 44.8° |
| C13 | C14 | C17 | N21 | 124.7° | 135.6° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C17 | C18 | 123.5° | 135.3° |
| C15 | C14 | C17 | N21 | 55.4° | 44.4° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C17 | C14 | C15 | C16 | 179.8° | 180.0° |
| C14 | C17 | C18 | N21 | 179.1° | 179.7° |
| C14 | C17 | C18 | C19 | 179.5° | 179.7° |
| C14 | C17 | C18 | C22 | 1.0° | 0.3° |
| C14 | C17 | N21 | N20 | 179.4° | 179.7° |
| C17 | C14 | C13 | H13 | 0.2° | 0.1° |
| C17 | C14 | C15 | H15 | 0.2° | 0.0° |
| C17 | C18 | C19 | C22 | 179.6° | 179.9° |
| C17 | C18 | C19 | N20 | 0.3° | 0.0° |
| C17 | C18 | C19 | N25 | 179.8° | 180.0° |
| C18 | C17 | N21 | N20 | 0.3° | 0.0° |
| C17 | C18 | C22 | N23 | 179.5° | 180.0° |
| C17 | C18 | C22 | N27 | 0.5° | 0.1° |
| N21 | C17 | C18 | C19 | 0.4° | 0.0° |
| N21 | C17 | C18 | C22 | 179.8° | 180.0° |
| C17 | N21 | N20 | C19 | 0.1° | 0.0° |
| C17 | N21 | N20 | C26 | 179.7° | 180.0° |
| C18 | C19 | N20 | N25 | 179.9° | 180.0° |
| C18 | C19 | N20 | N21 | 0.2° | 0.0° |
| C18 | C19 | N20 | C26 | 179.9° | 180.0° |
| C19 | C18 | C22 | N23 | 0.1° | 0.0° |
| C19 | C18 | C22 | N27 | 179.9° | 180.0° |
| C18 | C19 | N25 | C24 | 0.2° | 0.1° |
| C22 | C18 | C19 | N20 | 179.9° | 180.0° |
| C22 | C18 | C19 | N25 | 0.1° | 0.0° |
| C18 | C22 | N23 | N27 | 180.0° | 180.0° |
| C18 | C22 | N23 | C24 | 0.0° | 0.0° |
| C18 | C22 | N27 | H27B | 180.0° | 168.5° |
| C18 | C22 | N27 | H27A | 60.0° | 11.5° |
| C19 | N20 | N21 | C26 | 179.7° | 180.0° |
| N20 | C19 | N25 | C24 | 180.0° | 180.0° |
| C19 | N20 | C26 | C28 | 146.3° | 120.0° |
| C19 | N20 | C26 | C32 | 93.6° | 120.1° |
| C19 | N20 | C26 | H26 | 26.6° | 0.0° |
| N25 | C19 | N20 | N21 | 179.9° | 180.0° |
| N25 | C19 | N20 | C26 | 0.2° | 0.0° |
| C19 | N25 | C24 | N23 | 0.1° | 0.0° |
| C19 | N25 | C24 | H24 | 179.9° | 180.0° |
| N21 | N20 | C26 | C28 | 33.4° | 60.0° |
| N21 | N20 | C26 | C32 | 86.7° | 59.8° |
| N21 | N20 | C26 | H26 | 153.1° | 180.0° |
| N20 | C26 | C28 | C32 | 120.6° | 120.0° |
| N20 | C26 | C28 | H26 | 120.2° | 120.1° |
| N20 | C26 | C32 | H26 | 120.6° | 120.1° |
| N20 | C26 | C28 | C29 | 172.3° | 178.7° |
| N20 | C26 | C32 | N31 | 173.3° | 174.6° |
| N20 | C26 | C28 | H28A | 51.5° | 61.3° |
| N20 | C26 | C28 | H28B | 67.0° | 58.6° |
| N20 | C26 | C32 | H32B | 66.6° | 65.7° |
| N20 | C26 | C32 | H32A | 53.1° | 54.7° |
| C22 | N23 | C24 | N25 | 0.1° | 0.0° |
| C22 | N23 | C24 | H24 | 179.9° | 180.0° |
| N23 | C22 | N27 | H27B | 0.0° | 11.5° |
| N23 | C22 | N27 | H27A | 120.0° | 168.5° |
| N27 | C22 | N23 | C24 | 180.0° | 180.0° |
| C22 | N27 | H27B | H27A | 120.0° | 180.0° |
| N23 | C24 | N25 | H24 | 180.0° | 180.0° |
| C28 | C26 | C32 | H26 | 119.2° | 119.9° |
| C26 | C28 | C29 | H28A | 120.8° | 120.0° |
| C26 | C28 | C29 | H28B | 120.7° | 120.1° |
| C26 | C28 | C29 | C30 | 48.6° | 61.4° |
| C28 | C26 | C32 | N31 | 53.1° | 54.6° |
| C26 | C28 | H28A | H28B | 117.7° | 120.0° |
| C26 | C28 | C29 | H29A | 168.9° | 178.7° |
| C26 | C28 | C29 | H29B | 71.8° | 58.6° |
| C28 | C26 | C32 | H32B | 173.2° | 174.4° |
| C28 | C26 | C32 | H32A | 67.1° | 65.3° |
| C32 | C26 | C28 | C29 | 51.7° | 61.3° |
| C26 | C32 | N31 | C30 | 57.8° | 53.6° |
| C26 | C32 | N31 | H32B | 120.2° | 119.8° |
| C26 | C32 | N31 | H32A | 120.2° | 119.8° |
| C26 | C32 | N31 | C33 | 122.2° | 126.4° |
| C32 | C26 | C28 | H28A | 69.1° | 58.6° |
| C32 | C26 | C28 | H28B | 172.4° | 178.6° |
| C26 | C32 | H32B | H32A | 119.5° | 120.3° |
| C28 | C29 | C30 | H29A | 120.4° | 120.0° |
| C28 | C29 | C30 | H29B | 120.4° | 120.0° |
| C28 | C29 | C30 | N31 | 45.2° | 54.7° |
| C29 | C28 | C26 | H26 | 67.5° | 58.6° |
| C29 | C28 | H28A | H28B | 117.6° | 120.0° |
| C28 | C29 | H29A | H29B | 118.9° | 120.1° |
| C28 | C29 | C30 | H30B | 74.8° | 65.2° |
| C28 | C29 | C30 | H30A | 165.2° | 174.4° |
| C29 | C30 | N31 | H30B | 120.0° | 119.8° |
| C29 | C30 | N31 | H30A | 120.0° | 119.7° |
| C29 | C30 | N31 | C32 | 52.8° | 53.6° |
| C29 | C30 | N31 | C33 | 127.2° | 126.4° |
| C30 | C29 | C28 | H28A | 72.2° | 58.6° |
| C30 | C29 | C28 | H28B | 169.3° | 178.6° |
| C30 | C29 | H29A | H29B | 118.9° | 120.0° |
| C29 | C30 | H30B | H30A | 119.9° | 120.4° |
| C30 | N31 | C32 | C33 | 180.0° | 180.0° |
| C30 | N31 | C33 | C34 | 0.2° | 0.0° |
| C30 | N31 | C33 | O35 | 179.8° | 180.0° |
| N31 | C30 | C29 | H29A | 165.6° | 174.6° |
| N31 | C30 | C29 | H29B | 75.1° | 65.3° |
| N31 | C30 | H30B | H30A | 119.9° | 120.4° |
| C30 | N31 | C32 | H32B | 178.0° | 173.4° |
| C30 | N31 | C32 | H32A | 62.4° | 66.2° |
| C32 | N31 | C33 | C34 | 179.8° | 180.0° |
| C32 | N31 | C33 | O35 | 0.2° | 0.0° |
| N31 | C32 | C26 | H26 | 66.1° | 65.3° |
| C32 | N31 | C30 | H30B | 67.2° | 66.2° |
| C32 | N31 | C30 | H30A | 172.8° | 173.4° |
| N31 | C32 | H32B | H32A | 119.5° | 120.4° |
| N31 | C33 | C34 | O35 | 180.0° | 179.9° |
| N31 | C33 | C34 | C36 | 105.2° | 180.0° |
| N31 | C33 | C34 | C37 | 172.7° | 111.4° |
| C33 | N31 | C30 | H30B | 112.8° | 113.8° |
| C33 | N31 | C30 | H30A | 7.2° | 6.7° |
| C33 | N31 | C32 | H32B | 2.0° | 6.6° |
| C33 | N31 | C32 | H32A | 117.6° | 113.8° |
| N31 | C33 | C34 | H34 | 40.3° | 34.4° |
| C33 | C34 | C36 | C37 | 106.9° | 107.5° |
| C33 | C34 | C36 | H34 | 145.4° | 145.0° |
| C33 | C34 | C37 | H34 | 146.9° | 145.0° |
| C33 | C34 | C36 | H36A | 143.7° | 145.0° |
| C33 | C34 | C36 | H36B | 2.5° | 0.0° |
| C33 | C34 | C37 | H37A | 4.0° | 0.1° |
| C33 | C34 | C37 | H37B | 145.0° | 145.0° |
| O35 | C33 | C34 | C36 | 74.8° | 0.0° |
| O35 | C33 | C34 | C37 | 7.3° | 68.6° |
| O35 | C33 | C34 | H34 | 139.7° | 145.7° |
| C36 | C34 | C37 | H34 | 107.6° | 107.5° |
| C34 | C36 | C37 | H36A | 109.4° | 107.5° |
| C34 | C36 | C37 | H36B | 109.4° | 107.5° |
| C34 | C36 | H36A | H36B | 144.8° | 145.7° |
| C36 | C34 | C37 | H37A | 109.5° | 107.5° |
| C36 | C34 | C37 | H37B | 109.5° | 107.5° |
| C34 | C37 | H37A | H37B | 144.7° | 145.6° |
| C37 | C36 | H36A | H36B | 144.8° | 145.7° |
| C36 | C37 | H37A | H37B | 144.7° | 145.7° |
| C39 | C38 | H38B | H38A | 144.0° | 145.7° |
| C38 | C39 | H39B | H39A | 144.1° | 145.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H7 | C7 | C38 | H38B | 8.6° | 0.1° |
| H7 | C7 | C38 | H38A | 149.0° | 145.0° |
| H7 | C7 | C39 | H39B | 149.0° | 145.1° |
| H7 | C7 | C39 | H39A | 8.6° | 0.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.1° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H26 | C26 | C28 | H28A | 171.7° | 178.6° |
| H26 | C26 | C28 | H28B | 53.2° | 61.4° |
| H26 | C26 | C32 | H32B | 54.1° | 54.5° |
| H26 | C26 | C32 | H32A | 173.8° | 174.8° |
| H28A | C28 | C29 | H29A | 48.1° | 61.3° |
| H28A | C28 | C29 | H29B | 167.4° | 178.6° |
| H28B | C28 | C29 | H29A | 70.3° | 58.7° |
| H28B | C28 | C29 | H29B | 49.0° | 61.5° |
| H29A | C29 | C30 | H30B | 45.6° | 54.8° |
| H29A | C29 | C30 | H30A | 74.4° | 65.6° |
| H29B | C29 | C30 | H30B | 164.8° | 174.9° |
| H29B | C29 | C30 | H30A | 44.9° | 54.4° |
| H34 | C34 | C36 | H36A | 1.8° | 0.0° |
| H34 | C34 | C36 | H36B | 142.9° | 145.0° |
| H34 | C34 | C37 | H37A | 142.9° | 145.0° |
| H34 | C34 | C37 | H37B | 1.9° | 0.0° |
| H36A | C36 | C37 | H37A | 141.1° | 145.1° |
| H36A | C36 | C37 | H37B | 0.1° | 0.0° |
| H36B | C36 | C37 | H37A | 0.1° | 0.0° |
| H36B | C36 | C37 | H37B | 141.1° | 145.0° |
| H38B | C38 | C39 | H39B | 140.4° | 145.1° |
| H38B | C38 | C39 | H39A | 0.0° | 0.0° |
| H38A | C38 | C39 | H39B | 0.0° | 0.1° |
| H38A | C38 | C39 | H39A | 140.4° | 145.0° |
