A88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.36Å | 1.46Å | |
| N1 | C7 | sing | 1.45Å | 1.54Å | |
| N1 | C8 | sing | 1.47Å | 1.53Å | |
| N2 | C3 | sing | 1.34Å | 1.36Å | |
| N2 | C32 | sing | 1.46Å | 1.53Å | |
| C3 | O3 | doub | 1.22Å | 1.26Å | |
| C3 | N4 | sing | 1.33Å | 1.36Å | |
| N4 | C5 | sing | 1.46Å | 1.39Å | |
| N4 | C22 | sing | 1.47Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.60Å | |
| C5 | C15 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | O30 | sing | 1.36Å | 1.40Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | O29 | sing | 1.36Å | 1.34Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| O29 | HO9 | sing | 0.97Å | 0.95Å | |
| O30 | C31 | sing | 1.43Å | 1.46Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | O39 | sing | 1.36Å | 1.34Å | |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | O40 | sing | 1.36Å | 1.39Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| O39 | HO3 | sing | 0.97Å | 0.95Å | |
| O40 | C41 | sing | 1.43Å | 1.45Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C7 | 117.3° | 108.6° |
| N2 | N1 | C8 | 115.8° | 106.7° |
| N1 | N2 | C3 | 124.8° | 121.6° |
| N1 | N2 | C32 | 112.6° | 119.3° |
| C7 | N1 | C8 | 115.5° | 106.7° |
| N1 | C7 | C6 | 102.1° | 113.5° |
| N1 | C7 | H71 | 115.0° | 108.7° |
| N1 | C7 | H72 | 115.0° | 108.7° |
| N1 | C8 | C9 | 105.6° | 109.4° |
| N1 | C8 | H81 | 113.7° | 109.5° |
| N1 | C8 | H82 | 113.7° | 109.4° |
| C3 | N2 | C32 | 118.9° | 119.1° |
| N2 | C3 | O3 | 117.9° | 117.6° |
| N2 | C3 | N4 | 115.8° | 124.9° |
| N2 | C32 | C33 | 119.5° | 109.5° |
| N2 | C32 | H321 | 108.6° | 109.5° |
| N2 | C32 | H322 | 108.6° | 109.5° |
| O3 | C3 | N4 | 126.3° | 117.5° |
| C3 | N4 | C5 | 130.8° | 122.8° |
| C3 | N4 | C22 | 110.1° | 118.6° |
| C5 | N4 | C22 | 119.0° | 118.6° |
| N4 | C5 | C6 | 120.4° | 109.3° |
| N4 | C5 | C15 | 103.9° | 109.5° |
| N4 | C5 | H5 | 107.6° | 109.5° |
| N4 | C22 | C23 | 120.7° | 109.5° |
| N4 | C22 | H221 | 108.2° | 109.4° |
| N4 | C22 | H222 | 108.1° | 109.4° |
| C6 | C5 | C15 | 113.7° | 109.5° |
| C6 | C5 | H5 | 96.3° | 109.5° |
| C5 | C6 | O6 | 103.5° | 109.5° |
| C5 | C6 | C7 | 116.8° | 109.1° |
| C5 | C6 | H6 | 111.3° | 109.5° |
| C15 | C5 | H5 | 115.3° | 109.5° |
| C5 | C15 | C16 | 113.3° | 109.5° |
| C5 | C15 | H151 | 110.8° | 109.4° |
| C5 | C15 | H152 | 110.8° | 109.5° |
| O6 | C6 | C7 | 115.9° | 109.6° |
| O6 | C6 | H6 | 112.4° | 109.6° |
| C6 | O6 | HO6 | 103.4° | 106.8° |
| C7 | C6 | H6 | 97.3° | 109.6° |
| C6 | C7 | H71 | 115.1° | 108.7° |
| C6 | C7 | H72 | 115.0° | 108.7° |
| H71 | C7 | H72 | 95.4° | 108.5° |
| C9 | C8 | H81 | 113.7° | 109.5° |
| C9 | C8 | H82 | 113.7° | 109.5° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | C14 | 119.3° | 120.0° |
| H81 | C8 | H82 | 96.8° | 109.5° |
| C10 | C9 | C14 | 121.2° | 120.0° |
| C9 | C10 | C11 | 119.6° | 120.0° |
| C9 | C10 | H10 | 120.7° | 120.0° |
| C9 | C14 | C13 | 118.5° | 120.0° |
| C9 | C14 | H14 | 121.3° | 120.0° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C12 | C11 | H11 | 120.5° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | C14 | 121.0° | 120.1° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C14 | C13 | H13 | 119.0° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C16 | C15 | H151 | 110.8° | 109.5° |
| C16 | C15 | H152 | 110.8° | 109.5° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | C21 | 119.2° | 120.0° |
| H151 | C15 | H152 | 99.5° | 109.5° |
| C17 | C16 | C21 | 120.1° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H17 | 120.3° | 120.0° |
| C16 | C21 | C20 | 119.4° | 120.0° |
| C16 | C21 | H21 | 120.5° | 119.9° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.6° | 120.0° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C19 | C20 | H20 | 119.4° | 120.1° |
| C21 | C20 | H20 | 119.6° | 119.9° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C23 | C22 | H221 | 108.2° | 109.5° |
| C23 | C22 | H222 | 108.2° | 109.5° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C22 | C23 | C28 | 119.3° | 119.9° |
| H221 | C22 | H222 | 101.7° | 109.5° |
| C24 | C23 | C28 | 120.7° | 120.2° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C23 | C28 | C27 | 120.3° | 120.1° |
| C23 | C28 | H28 | 120.2° | 120.0° |
| C25 | C24 | H24 | 120.7° | 120.0° |
| C24 | C25 | C26 | 119.9° | 119.8° |
| C24 | C25 | O30 | 117.3° | 120.1° |
| C26 | C25 | O30 | 122.5° | 120.1° |
| C25 | C26 | C27 | 121.3° | 119.8° |
| C25 | C26 | O29 | 120.1° | 120.1° |
| C25 | O30 | C31 | 129.3° | 106.8° |
| C27 | C26 | O29 | 118.6° | 120.1° |
| C26 | C27 | C28 | 118.7° | 120.0° |
| C26 | C27 | H27 | 120.7° | 120.0° |
| C26 | O29 | HO9 | 120.1° | 106.8° |
| C28 | C27 | H27 | 120.5° | 120.0° |
| C27 | C28 | H28 | 119.5° | 119.9° |
| O30 | C31 | H311 | 129.3° | 109.5° |
| O30 | C31 | H312 | 105.3° | 109.5° |
| O30 | C31 | H313 | 105.3° | 109.4° |
| H311 | C31 | H312 | 105.3° | 109.5° |
| H311 | C31 | H313 | 105.3° | 109.5° |
| H312 | C31 | H313 | 103.9° | 109.5° |
| C33 | C32 | H321 | 108.6° | 109.5° |
| C33 | C32 | H322 | 108.6° | 109.5° |
| C32 | C33 | C34 | 120.4° | 119.9° |
| C32 | C33 | C38 | 118.7° | 120.0° |
| H321 | C32 | H322 | 101.4° | 109.5° |
| C34 | C33 | C38 | 120.9° | 120.1° |
| C33 | C34 | C35 | 119.2° | 120.2° |
| C33 | C34 | H34 | 120.7° | 119.9° |
| C33 | C38 | C37 | 119.6° | 120.1° |
| C33 | C38 | H38 | 120.6° | 119.9° |
| C35 | C34 | H34 | 120.0° | 119.9° |
| C34 | C35 | C36 | 119.3° | 120.0° |
| C34 | C35 | H35 | 120.2° | 120.0° |
| C36 | C35 | H35 | 120.5° | 120.0° |
| C35 | C36 | C37 | 120.7° | 119.9° |
| C35 | C36 | O39 | 106.9° | 120.1° |
| C37 | C36 | O39 | 132.4° | 120.0° |
| C36 | C37 | C38 | 120.3° | 119.8° |
| C36 | C37 | O40 | 117.3° | 120.1° |
| C36 | O39 | HO3 | 106.9° | 106.8° |
| C38 | C37 | O40 | 122.3° | 120.1° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| C37 | O40 | C41 | 118.2° | 106.8° |
| O40 | C41 | H411 | 118.2° | 109.5° |
| O40 | C41 | H412 | 109.0° | 109.5° |
| O40 | C41 | H413 | 109.0° | 109.4° |
| H411 | C41 | H412 | 109.1° | 109.5° |
| H411 | C41 | H413 | 109.0° | 109.5° |
| H412 | C41 | H413 | 101.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | C7 | C8 | 142.1° | 114.6° |
| N1 | N2 | C3 | C32 | 156.7° | 179.8° |
| N1 | N2 | C3 | O3 | 143.4° | 160.4° |
| N1 | N2 | C3 | N4 | 37.9° | 19.0° |
| N2 | N1 | C7 | C6 | 78.4° | 56.0° |
| N2 | N1 | C7 | H71 | 156.3° | 177.0° |
| N2 | N1 | C7 | H72 | 46.8° | 65.1° |
| N2 | N1 | C8 | C9 | 79.7° | 170.0° |
| N2 | N1 | C8 | H81 | 155.1° | 70.0° |
| N2 | N1 | C8 | H82 | 45.6° | 50.1° |
| N1 | N2 | C32 | C33 | 56.7° | 98.0° |
| N1 | N2 | C32 | H321 | 68.6° | 142.0° |
| N1 | N2 | C32 | H322 | 178.0° | 21.9° |
| C7 | N1 | N2 | C3 | 85.7° | 83.2° |
| C7 | N1 | N2 | C32 | 116.3° | 96.6° |
| N1 | C7 | C6 | C5 | 62.0° | 31.8° |
| N1 | C7 | C6 | O6 | 175.6° | 151.7° |
| N1 | C7 | C6 | H71 | 125.3° | 121.0° |
| N1 | C7 | C6 | H72 | 125.3° | 121.1° |
| N1 | C7 | C6 | H6 | 56.3° | 88.1° |
| N1 | C7 | H71 | H72 | 120.9° | 118.0° |
| C7 | N1 | C8 | C9 | 137.7° | 74.0° |
| C7 | N1 | C8 | H81 | 12.4° | 46.0° |
| C7 | N1 | C8 | H82 | 97.1° | 166.0° |
| C8 | N1 | N2 | C3 | 56.2° | 162.2° |
| C8 | N1 | N2 | C32 | 101.7° | 18.0° |
| C8 | N1 | C7 | C6 | 63.6° | 170.6° |
| C8 | N1 | C7 | H71 | 61.7° | 68.4° |
| C8 | N1 | C7 | H72 | 171.1° | 49.6° |
| N1 | C8 | C9 | H81 | 125.2° | 120.0° |
| N1 | C8 | C9 | H82 | 125.2° | 119.9° |
| N1 | C8 | H81 | H82 | 119.6° | 120.0° |
| N1 | C8 | C9 | C10 | 74.6° | 95.0° |
| N1 | C8 | C9 | C14 | 103.3° | 85.3° |
| N2 | C3 | O3 | N4 | 178.5° | 179.5° |
| N2 | C3 | N4 | C5 | 22.0° | 9.9° |
| N2 | C3 | N4 | C22 | 159.6° | 170.4° |
| C3 | N2 | C32 | C33 | 143.9° | 81.8° |
| C3 | N2 | C32 | H321 | 90.9° | 38.2° |
| C3 | N2 | C32 | H322 | 18.6° | 158.3° |
| C32 | N2 | C3 | O3 | 13.3° | 19.8° |
| C32 | N2 | C3 | N4 | 165.4° | 160.8° |
| N2 | C32 | C33 | H321 | 125.3° | 120.0° |
| N2 | C32 | C33 | H322 | 125.3° | 120.0° |
| N2 | C32 | H321 | H322 | 114.3° | 120.0° |
| N2 | C32 | C33 | C34 | 64.6° | 84.4° |
| N2 | C32 | C33 | C38 | 116.2° | 96.0° |
| O3 | C3 | N4 | C5 | 156.6° | 170.7° |
| O3 | C3 | N4 | C22 | 21.9° | 9.1° |
| C3 | N4 | C5 | C22 | 178.4° | 179.7° |
| C3 | N4 | C5 | C6 | 57.0° | 41.9° |
| C3 | N4 | C5 | C15 | 71.7° | 78.1° |
| C3 | N4 | C5 | H5 | 165.7° | 161.9° |
| C3 | N4 | C22 | C23 | 145.9° | 87.6° |
| C3 | N4 | C22 | H221 | 88.8° | 152.4° |
| C3 | N4 | C22 | H222 | 20.7° | 32.4° |
| N4 | C5 | C6 | C15 | 124.1° | 120.0° |
| N4 | C5 | C6 | H5 | 114.7° | 120.0° |
| N4 | C5 | C15 | H5 | 117.5° | 120.0° |
| N4 | C5 | C6 | O6 | 168.7° | 155.2° |
| N4 | C5 | C6 | C7 | 62.7° | 84.9° |
| N4 | C5 | C6 | H6 | 47.8° | 35.0° |
| N4 | C5 | C15 | C16 | 70.7° | 165.5° |
| N4 | C5 | C15 | H151 | 164.0° | 74.5° |
| N4 | C5 | C15 | H152 | 54.6° | 45.5° |
| C5 | N4 | C22 | C23 | 35.4° | 92.7° |
| C5 | N4 | C22 | H221 | 89.9° | 27.3° |
| C5 | N4 | C22 | H222 | 160.7° | 147.3° |
| C22 | N4 | C5 | C6 | 124.6° | 137.8° |
| C22 | N4 | C5 | C15 | 106.7° | 102.2° |
| C22 | N4 | C5 | H5 | 16.0° | 17.8° |
| N4 | C22 | C23 | H221 | 125.3° | 120.0° |
| N4 | C22 | C23 | H222 | 125.2° | 120.0° |
| N4 | C22 | H221 | H222 | 113.8° | 119.9° |
| N4 | C22 | C23 | C24 | 105.4° | 85.8° |
| N4 | C22 | C23 | C28 | 74.1° | 94.2° |
| C6 | C5 | C15 | H5 | 109.9° | 120.1° |
| C5 | C6 | O6 | C7 | 129.2° | 119.6° |
| C5 | C6 | O6 | H6 | 120.1° | 120.2° |
| C5 | C6 | C7 | H6 | 118.3° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H71 | 172.7° | 89.2° |
| C5 | C6 | C7 | H72 | 63.2° | 152.9° |
| C6 | C5 | C15 | C16 | 156.7° | 74.6° |
| C6 | C5 | C15 | H151 | 31.4° | 45.4° |
| C6 | C5 | C15 | H152 | 78.1° | 165.4° |
| C15 | C5 | C6 | O6 | 67.2° | 84.9° |
| C15 | C5 | C6 | C7 | 61.5° | 35.1° |
| C15 | C5 | C6 | H6 | 172.0° | 154.9° |
| C5 | C15 | C16 | H151 | 125.3° | 120.0° |
| C5 | C15 | C16 | H152 | 125.3° | 120.0° |
| C5 | C15 | H151 | H152 | 116.7° | 120.0° |
| C5 | C15 | C16 | C17 | 76.8° | 98.6° |
| C5 | C15 | C16 | C21 | 103.7° | 81.6° |
| H5 | C5 | C6 | O6 | 54.0° | 35.2° |
| H5 | C5 | C6 | C7 | 177.4° | 155.1° |
| H5 | C5 | C6 | H6 | 66.8° | 85.0° |
| H5 | C5 | C15 | C16 | 46.8° | 45.5° |
| H5 | C5 | C15 | H151 | 78.5° | 165.5° |
| H5 | C5 | C15 | H152 | 172.1° | 74.5° |
| O6 | C6 | C7 | H6 | 119.3° | 120.2° |
| O6 | C6 | C7 | H71 | 50.3° | 30.6° |
| O6 | C6 | C7 | H72 | 59.2° | 87.3° |
| C7 | C6 | O6 | HO6 | 50.7° | 60.4° |
| C6 | C7 | H71 | H72 | 120.9° | 118.0° |
| H6 | C6 | O6 | HO6 | 59.9° | 59.8° |
| H6 | C6 | C7 | H71 | 69.0° | 150.9° |
| H6 | C6 | C7 | H72 | 178.5° | 33.0° |
| C9 | C8 | H81 | H82 | 119.6° | 120.0° |
| C8 | C9 | C10 | C14 | 177.9° | 179.7° |
| C8 | C9 | C10 | C11 | 177.2° | 180.0° |
| C8 | C9 | C10 | H10 | 2.8° | 0.0° |
| C8 | C9 | C14 | C13 | 177.3° | 179.8° |
| C8 | C9 | C14 | H14 | 2.7° | 0.2° |
| H81 | C8 | C9 | C10 | 50.6° | 25.1° |
| H81 | C8 | C9 | C14 | 131.5° | 154.6° |
| H82 | C8 | C9 | C10 | 160.2° | 145.1° |
| H82 | C8 | C9 | C14 | 21.9° | 34.6° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| C10 | C9 | C14 | C13 | 0.5° | 0.4° |
| C10 | C9 | C14 | H14 | 179.5° | 179.9° |
| C14 | C9 | C10 | C11 | 0.6° | 0.3° |
| C14 | C9 | C10 | H10 | 179.4° | 179.8° |
| C9 | C14 | C13 | C12 | 0.4° | 0.4° |
| C9 | C14 | C13 | H14 | 180.0° | 179.6° |
| C9 | C14 | C13 | H13 | 179.6° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C10 | C11 | C12 | H12 | 179.5° | 179.9° |
| H10 | C10 | C11 | C12 | 179.4° | 180.0° |
| H10 | C10 | C11 | H11 | 0.6° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| H11 | C11 | C12 | C13 | 179.5° | 180.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| H12 | C12 | C13 | C14 | 179.6° | 179.9° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.2° |
| C16 | C15 | H151 | H152 | 116.7° | 120.0° |
| C15 | C16 | C17 | C21 | 179.5° | 179.8° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 0.6° | 0.1° |
| C15 | C16 | C21 | C20 | 179.5° | 179.8° |
| C15 | C16 | C21 | H21 | 0.4° | 0.2° |
| H151 | C15 | C16 | C17 | 48.5° | 21.3° |
| H151 | C15 | C16 | C21 | 131.0° | 158.4° |
| H152 | C15 | C16 | C17 | 157.9° | 141.4° |
| H152 | C15 | C16 | C21 | 21.6° | 38.4° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| C17 | C16 | C21 | C20 | 0.1° | 0.4° |
| C17 | C16 | C21 | H21 | 179.9° | 180.0° |
| C21 | C16 | C17 | C18 | 0.0° | 0.2° |
| C21 | C16 | C17 | H17 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.1° | 0.4° |
| C16 | C21 | C20 | H21 | 180.0° | 179.5° |
| C16 | C21 | C20 | H20 | 179.9° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| H17 | C17 | C18 | C19 | 179.9° | 179.9° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| H18 | C18 | C19 | C20 | 179.8° | 179.9° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 180.0° | 179.9° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.2° |
| C23 | C22 | H221 | H222 | 113.9° | 120.1° |
| C22 | C23 | C24 | C28 | 179.5° | 180.0° |
| C22 | C23 | C24 | C25 | 179.5° | 180.0° |
| C22 | C23 | C24 | H24 | 0.5° | 0.0° |
| C22 | C23 | C28 | C27 | 179.6° | 180.0° |
| C22 | C23 | C28 | H28 | 0.4° | 0.0° |
| H221 | C22 | C23 | C24 | 19.8° | 154.2° |
| H221 | C22 | C23 | C28 | 160.6° | 25.7° |
| H222 | C22 | C23 | C24 | 129.3° | 34.2° |
| H222 | C22 | C23 | C28 | 51.2° | 145.8° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 1.3° | 0.2° |
| C23 | C24 | C25 | O30 | 172.5° | 180.0° |
| C24 | C23 | C28 | C27 | 0.9° | 0.0° |
| C24 | C23 | C28 | H28 | 179.1° | 179.9° |
| C28 | C23 | C24 | C25 | 0.0° | 0.1° |
| C28 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.5° | 0.3° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | H27 | 179.4° | 180.0° |
| C24 | C25 | C26 | O30 | 173.4° | 179.8° |
| C24 | C25 | C26 | C27 | 1.7° | 0.5° |
| C24 | C25 | C26 | O29 | 179.4° | 180.0° |
| C24 | C25 | O30 | C31 | 25.6° | 0.0° |
| H24 | C24 | C25 | C26 | 178.7° | 179.7° |
| H24 | C24 | C25 | O30 | 7.6° | 0.0° |
| C25 | C26 | C27 | O29 | 179.0° | 179.5° |
| C25 | C26 | C27 | C28 | 0.7° | 0.6° |
| C25 | C26 | C27 | H27 | 179.3° | 179.7° |
| C25 | C26 | O29 | HO9 | 180.0° | 90.5° |
| C26 | C25 | O30 | C31 | 160.8° | 179.7° |
| O30 | C25 | C26 | C27 | 171.7° | 179.7° |
| O30 | C25 | C26 | O29 | 7.2° | 0.2° |
| C25 | O30 | C31 | H311 | 180.0° | 180.0° |
| C25 | O30 | C31 | H312 | 54.7° | 60.0° |
| C25 | O30 | C31 | H313 | 54.7° | 60.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | H28 | 179.5° | 179.7° |
| C27 | C26 | O29 | HO9 | 1.0° | 90.0° |
| O29 | C26 | C27 | C28 | 179.7° | 179.9° |
| O29 | C26 | C27 | H27 | 0.3° | 0.3° |
| H27 | C27 | C28 | H28 | 0.5° | 0.1° |
| O30 | C31 | H311 | H312 | 125.3° | 120.0° |
| O30 | C31 | H311 | H313 | 125.3° | 120.0° |
| O30 | C31 | H312 | H313 | 110.4° | 120.0° |
| H311 | C31 | H312 | H313 | 110.5° | 120.0° |
| C33 | C32 | H321 | H322 | 114.3° | 120.0° |
| C32 | C33 | C34 | C38 | 179.2° | 179.6° |
| C32 | C33 | C34 | C35 | 179.6° | 180.0° |
| C32 | C33 | C34 | H34 | 0.4° | 0.1° |
| C32 | C33 | C38 | C37 | 180.0° | 179.8° |
| C32 | C33 | C38 | H38 | 0.1° | 0.3° |
| H321 | C32 | C33 | C34 | 170.1° | 35.7° |
| H321 | C32 | C33 | C38 | 9.1° | 143.9° |
| H322 | C32 | C33 | C34 | 60.7° | 155.7° |
| H322 | C32 | C33 | C38 | 118.5° | 23.9° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.8° | 179.8° |
| C34 | C33 | C38 | C37 | 0.9° | 0.6° |
| C34 | C33 | C38 | H38 | 179.1° | 179.9° |
| C38 | C33 | C34 | C35 | 0.4° | 0.4° |
| C38 | C33 | C34 | H34 | 179.6° | 179.7° |
| C33 | C38 | C37 | C36 | 0.8° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.5° |
| C33 | C38 | C37 | O40 | 174.1° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.2° | 0.1° |
| C34 | C35 | C36 | O39 | 179.0° | 180.0° |
| H34 | C34 | C35 | C36 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| C35 | C36 | C37 | O39 | 178.5° | 179.9° |
| C35 | C36 | C37 | C38 | 0.3° | 0.2° |
| C35 | C36 | C37 | O40 | 174.9° | 180.0° |
| C35 | C36 | O39 | HO3 | 179.9° | 89.9° |
| H35 | C35 | C36 | C37 | 179.8° | 179.9° |
| H35 | C35 | C36 | O39 | 1.0° | 0.1° |
| C36 | C37 | C38 | O40 | 174.9° | 179.8° |
| C36 | C37 | C38 | H38 | 179.2° | 180.0° |
| C37 | C36 | O39 | HO3 | 1.3° | 90.0° |
| C36 | C37 | O40 | C41 | 134.4° | 180.0° |
| O39 | C36 | C37 | C38 | 178.2° | 179.8° |
| O39 | C36 | C37 | O40 | 6.6° | 0.1° |
| C38 | C37 | O40 | C41 | 40.6° | 0.2° |
| O40 | C37 | C38 | H38 | 5.9° | 0.2° |
| C37 | O40 | C41 | H411 | 179.9° | 180.0° |
| C37 | O40 | C41 | H412 | 54.7° | 59.9° |
| C37 | O40 | C41 | H413 | 54.7° | 60.0° |
| O40 | C41 | H411 | H412 | 125.3° | 120.1° |
| O40 | C41 | H411 | H413 | 125.2° | 119.9° |
| O40 | C41 | H412 | H413 | 114.8° | 119.9° |
| H411 | C41 | H412 | H413 | 114.8° | 120.0° |
