538
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N4 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | C34 | sing | 1.51Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C7 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | O6 | doub | 1.22Å | 1.23Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N11 | C10 | sing | 1.37Å | 1.33Å | Aromatic |
| C10 | C32 | sing | 1.41Å | 1.47Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.46Å | |
| C28 | N11 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.48Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | C19 | doub | 1.41Å | 1.48Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.48Å | 1.50Å | |
| O26 | C25 | doub | 1.21Å | 1.25Å | |
| C25 | O27 | sing | 1.35Å | 1.25Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | doub | 1.34Å | 1.48Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | C32 | sing | 1.47Å | 1.47Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C3 | 108.2° | 109.5° |
| C1 | C2 | H2 | 109.9° | 109.5° |
| C1 | C2 | H2A | 109.9° | 109.4° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.9° | 109.5° |
| C3 | C2 | H2A | 109.9° | 109.4° |
| C2 | C3 | N4 | 111.9° | 109.5° |
| C2 | C3 | C34 | 120.2° | 109.5° |
| C2 | C3 | H3 | 100.4° | 109.5° |
| H2 | C2 | H2A | 109.0° | 109.5° |
| N4 | C3 | C34 | 112.8° | 109.5° |
| N4 | C3 | H3 | 110.4° | 109.4° |
| C3 | N4 | C5 | 133.8° | 120.0° |
| C3 | N4 | HN4 | 113.1° | 119.9° |
| C34 | C3 | H3 | 99.1° | 109.5° |
| C3 | C34 | C39 | 117.9° | 120.0° |
| C3 | C34 | C35 | 123.2° | 120.0° |
| C5 | N4 | HN4 | 113.1° | 120.0° |
| N4 | C5 | C7 | 109.5° | 120.0° |
| N4 | C5 | O6 | 127.7° | 120.0° |
| C7 | C5 | O6 | 122.3° | 120.0° |
| C5 | C7 | C8 | 118.4° | 120.0° |
| C5 | C7 | C33 | 120.6° | 119.9° |
| C8 | C7 | C33 | 120.8° | 120.1° |
| C7 | C8 | C9 | 120.9° | 120.7° |
| C7 | C8 | H8 | 119.5° | 119.6° |
| C7 | C33 | C32 | 119.4° | 119.4° |
| C7 | C33 | H33 | 120.3° | 120.3° |
| C9 | C8 | H8 | 119.5° | 119.7° |
| C8 | C9 | C10 | 120.2° | 120.3° |
| C8 | C9 | H9 | 119.9° | 119.8° |
| C10 | C9 | H9 | 119.9° | 119.9° |
| C9 | C10 | N11 | 132.1° | 133.2° |
| C9 | C10 | C32 | 118.6° | 119.7° |
| N11 | C10 | C32 | 109.2° | 107.1° |
| C10 | N11 | C12 | 121.5° | 125.0° |
| C10 | N11 | C28 | 113.0° | 110.0° |
| C10 | C32 | C30 | 104.6° | 106.1° |
| C10 | C32 | C33 | 120.1° | 120.0° |
| C12 | N11 | C28 | 125.5° | 125.0° |
| N11 | C12 | C13 | 110.7° | 109.5° |
| N11 | C12 | H12 | 109.1° | 109.5° |
| N11 | C12 | H12A | 109.1° | 109.5° |
| N11 | C28 | C29 | 126.6° | 125.0° |
| N11 | C28 | C30 | 107.7° | 110.0° |
| C13 | C12 | H12 | 109.1° | 109.4° |
| C13 | C12 | H12A | 109.1° | 109.5° |
| C12 | C13 | C18 | 118.5° | 119.9° |
| C12 | C13 | C14 | 122.5° | 119.9° |
| H12 | C12 | H12A | 109.9° | 109.5° |
| C18 | C13 | C14 | 118.9° | 120.3° |
| C13 | C18 | C17 | 120.8° | 120.2° |
| C13 | C18 | H18 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.3° | 120.1° |
| C13 | C14 | H14 | 119.8° | 119.9° |
| C15 | C14 | H14 | 119.9° | 119.9° |
| C14 | C15 | C16 | 119.8° | 119.8° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.3° | 119.8° |
| C15 | C16 | C19 | 120.7° | 120.1° |
| C17 | C16 | C19 | 119.0° | 120.2° |
| C16 | C17 | C18 | 119.8° | 119.8° |
| C16 | C17 | H17 | 120.1° | 120.1° |
| C16 | C19 | C24 | 120.5° | 120.2° |
| C16 | C19 | C20 | 120.2° | 120.2° |
| C18 | C17 | H17 | 120.1° | 120.1° |
| C17 | C18 | H18 | 119.6° | 119.9° |
| C24 | C19 | C20 | 119.2° | 119.6° |
| C19 | C24 | C23 | 118.2° | 119.5° |
| C19 | C24 | C25 | 123.1° | 120.2° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.4° |
| C20 | C21 | H21 | 119.4° | 119.8° |
| C22 | C21 | H21 | 119.4° | 119.8° |
| C21 | C22 | C23 | 120.8° | 120.5° |
| C21 | C22 | H22 | 119.6° | 119.7° |
| C23 | C22 | H22 | 119.6° | 119.8° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.3° |
| C24 | C25 | O26 | 120.3° | 120.0° |
| C24 | C25 | O27 | 118.9° | 120.0° |
| O26 | C25 | O27 | 120.8° | 120.0° |
| C25 | O27 | HO27 | 109.5° | 117.0° |
| C29 | C28 | C30 | 125.6° | 125.0° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H29A | 109.5° | 109.4° |
| C28 | C29 | H29B | 109.5° | 109.4° |
| C28 | C30 | C31 | 134.5° | 126.6° |
| C28 | C30 | C32 | 105.5° | 106.9° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| C31 | C30 | C32 | 120.0° | 126.6° |
| C30 | C31 | H31 | 109.5° | 109.4° |
| C30 | C31 | H31A | 109.4° | 109.5° |
| C30 | C31 | H31B | 109.5° | 109.4° |
| C30 | C32 | C33 | 135.3° | 133.9° |
| H31 | C31 | H31A | 109.4° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| C32 | C33 | H33 | 120.3° | 120.3° |
| C39 | C34 | C35 | 118.6° | 120.0° |
| C34 | C39 | C38 | 120.6° | 120.0° |
| C34 | C39 | H39 | 119.7° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C36 | C35 | H35 | 119.6° | 119.9° |
| C35 | C36 | C37 | 119.8° | 120.0° |
| C35 | C36 | H36 | 120.1° | 120.0° |
| C37 | C36 | H36 | 120.1° | 120.0° |
| C36 | C37 | C38 | 120.3° | 119.9° |
| C36 | C37 | H37 | 119.8° | 120.1° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C39 | 119.8° | 120.0° |
| C37 | C38 | H38 | 120.1° | 119.9° |
| C39 | C38 | H38 | 120.1° | 120.0° |
| C38 | C39 | H39 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 120.5° | 120.0° |
| C1 | C2 | C3 | N4 | 78.6° | 65.0° |
| C1 | C2 | C3 | C34 | 145.5° | 175.0° |
| C1 | C2 | C3 | H3 | 38.5° | 55.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | H2 | 59.9° | NaN° |
| H1 | C1 | C2 | H2A | 60.0° | 60.0° |
| H1A | C1 | C2 | C3 | 60.0° | 180.0° |
| H1A | C1 | C2 | H2 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2A | 180.0° | 60.0° |
| H1B | C1 | C2 | C3 | 60.0° | 60.0° |
| H1B | C1 | C2 | H2 | 180.0° | 60.0° |
| H1B | C1 | C2 | H2A | 60.0° | 180.0° |
| C3 | C2 | H2 | H2A | 120.5° | 120.0° |
| C2 | C3 | N4 | C34 | 139.3° | 120.1° |
| C2 | C3 | N4 | H3 | 110.9° | 120.0° |
| C2 | C3 | C34 | H3 | 107.7° | 120.0° |
| C2 | C3 | N4 | C5 | 77.1° | 85.0° |
| C2 | C3 | N4 | HN4 | 102.9° | 95.0° |
| C2 | C3 | C34 | C39 | 165.5° | 79.7° |
| C2 | C3 | C34 | C35 | 21.1° | 100.0° |
| H2 | C2 | C3 | N4 | 161.4° | 175.0° |
| H2 | C2 | C3 | C34 | 25.5° | 55.0° |
| H2 | C2 | C3 | H3 | 81.5° | 65.0° |
| H2A | C2 | C3 | N4 | 41.4° | 55.0° |
| H2A | C2 | C3 | C34 | 94.5° | 65.1° |
| H2A | C2 | C3 | H3 | 158.5° | 174.9° |
| N4 | C3 | C34 | H3 | 116.7° | 120.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C3 | N4 | C5 | C7 | 164.1° | 180.0° |
| C3 | N4 | C5 | O6 | 8.2° | 0.0° |
| N4 | C3 | C34 | C39 | 30.0° | 40.3° |
| N4 | C3 | C34 | C35 | 156.6° | 140.0° |
| C34 | C3 | N4 | C5 | 62.2° | 155.0° |
| C34 | C3 | N4 | HN4 | 117.8° | 25.0° |
| C3 | C34 | C39 | C35 | 173.7° | 179.6° |
| C3 | C34 | C35 | C36 | 176.5° | 180.0° |
| C3 | C34 | C35 | H35 | 3.5° | 0.0° |
| C3 | C34 | C39 | C38 | 176.8° | 179.7° |
| C3 | C34 | C39 | H39 | 3.2° | 0.1° |
| H3 | C3 | N4 | C5 | 172.0° | 35.0° |
| H3 | C3 | N4 | HN4 | 8.0° | 145.0° |
| H3 | C3 | C34 | C39 | 86.8° | 160.3° |
| H3 | C3 | C34 | C35 | 86.6° | 20.1° |
| N4 | C5 | C7 | O6 | 172.8° | 179.9° |
| N4 | C5 | C7 | C8 | 139.7° | 0.0° |
| N4 | C5 | C7 | C33 | 34.5° | 179.7° |
| HN4 | N4 | C5 | C7 | 15.9° | 0.0° |
| HN4 | N4 | C5 | O6 | 171.8° | 180.0° |
| C5 | C7 | C8 | C33 | 174.2° | 179.7° |
| C5 | C7 | C8 | C9 | 176.6° | 180.0° |
| C5 | C7 | C8 | H8 | 3.4° | 0.0° |
| C5 | C7 | C33 | C32 | 176.4° | 179.8° |
| C5 | C7 | C33 | H33 | 3.6° | 0.3° |
| O6 | C5 | C7 | C8 | 33.1° | 179.9° |
| O6 | C5 | C7 | C33 | 152.7° | 0.3° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C7 | C33 | C32 | 2.3° | 0.5° |
| C8 | C7 | C33 | H33 | 177.7° | 180.0° |
| C33 | C7 | C8 | C9 | 2.4° | 0.2° |
| C33 | C7 | C8 | H8 | 177.6° | 179.7° |
| C7 | C33 | C32 | C10 | 0.3° | 0.5° |
| C7 | C33 | C32 | C30 | 178.5° | 179.8° |
| C7 | C33 | C32 | H33 | 180.0° | 179.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 179.7° | 179.9° |
| C8 | C9 | C10 | C32 | 1.6° | 0.0° |
| H8 | C8 | C9 | C10 | 179.7° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| C9 | C10 | N11 | C32 | 178.7° | 180.0° |
| C9 | C10 | N11 | C12 | 0.4° | 0.1° |
| C9 | C10 | N11 | C28 | 178.8° | 180.0° |
| C9 | C10 | C32 | C30 | 179.2° | 180.0° |
| C9 | C10 | C32 | C33 | 1.7° | 0.3° |
| H9 | C9 | C10 | N11 | 0.3° | 0.1° |
| H9 | C9 | C10 | C32 | 178.4° | 180.0° |
| C10 | N11 | C12 | C28 | 178.2° | 180.0° |
| C10 | N11 | C12 | C13 | 91.6° | 90.0° |
| C10 | N11 | C12 | H12 | 28.4° | 150.0° |
| C10 | N11 | C12 | H12A | 148.4° | 30.0° |
| C10 | N11 | C28 | C29 | 179.6° | 180.0° |
| C10 | N11 | C28 | C30 | 0.1° | 0.0° |
| N11 | C10 | C32 | C30 | 0.2° | 0.0° |
| N11 | C10 | C32 | C33 | 179.4° | 179.8° |
| C32 | C10 | N11 | C12 | 178.3° | 180.0° |
| C32 | C10 | N11 | C28 | 0.1° | 0.0° |
| C10 | C32 | C30 | C28 | 0.3° | 0.0° |
| C10 | C32 | C30 | C31 | 179.6° | 180.0° |
| C10 | C32 | C30 | C33 | 178.9° | 179.7° |
| C10 | C32 | C33 | H33 | 179.8° | 180.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.1° |
| N11 | C12 | H12 | H12A | 119.5° | 120.1° |
| N11 | C12 | C13 | C18 | 163.1° | 90.3° |
| N11 | C12 | C13 | C14 | 19.0° | 90.0° |
| C12 | N11 | C28 | C29 | 1.2° | 0.0° |
| C12 | N11 | C28 | C30 | 178.4° | 180.0° |
| C28 | N11 | C12 | C13 | 86.6° | 89.9° |
| C28 | N11 | C12 | H12 | 153.4° | 30.0° |
| C28 | N11 | C12 | H12A | 33.4° | 150.0° |
| N11 | C28 | C29 | C30 | 179.6° | 179.9° |
| N11 | C28 | C29 | H29 | 90.2° | 90.0° |
| N11 | C28 | C29 | H29A | 149.8° | 150.0° |
| N11 | C28 | C29 | H29B | 29.8° | 30.0° |
| N11 | C28 | C30 | C31 | 179.6° | 180.0° |
| N11 | C28 | C30 | C32 | 0.2° | 0.0° |
| C13 | C12 | H12 | H12A | 119.5° | 120.0° |
| C12 | C13 | C18 | C14 | 178.0° | 179.7° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C12 | C13 | C14 | H14 | 1.1° | 0.0° |
| C12 | C13 | C18 | C17 | 179.0° | 179.7° |
| C12 | C13 | C18 | H18 | 1.0° | 0.0° |
| H12 | C12 | C13 | C18 | 43.1° | 149.7° |
| H12 | C12 | C13 | C14 | 139.0° | 30.0° |
| H12A | C12 | C13 | C18 | 76.9° | 29.8° |
| H12A | C12 | C13 | C14 | 101.0° | 150.0° |
| C18 | C13 | C14 | C15 | 1.0° | 0.3° |
| C18 | C13 | C14 | H14 | 179.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.4° | 0.6° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | H17 | 179.6° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| C14 | C13 | C18 | C17 | 1.0° | 0.6° |
| C14 | C13 | C18 | H18 | 179.0° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | C19 | 178.9° | 179.9° |
| H14 | C14 | C15 | C16 | 179.5° | 180.0° |
| H14 | C14 | C15 | H15 | 0.5° | 0.1° |
| C15 | C16 | C17 | C19 | 178.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C15 | C16 | C19 | C24 | 53.7° | 122.1° |
| C15 | C16 | C19 | C20 | 127.3° | 58.3° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | C19 | 1.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 179.6° | 179.7° |
| C17 | C16 | C19 | C24 | 125.1° | 57.8° |
| C17 | C16 | C19 | C20 | 53.8° | 121.8° |
| C19 | C16 | C17 | C18 | 179.0° | 179.8° |
| C19 | C16 | C17 | H17 | 1.0° | 0.0° |
| C16 | C19 | C24 | C20 | 179.0° | 179.6° |
| C16 | C19 | C20 | C21 | 179.4° | 179.9° |
| C16 | C19 | C20 | H20 | 0.6° | 0.1° |
| C16 | C19 | C24 | C23 | 179.7° | 179.8° |
| C16 | C19 | C24 | C25 | 0.9° | 0.1° |
| H17 | C17 | C18 | H18 | 0.5° | 0.1° |
| C24 | C19 | C20 | C21 | 0.4° | 0.3° |
| C24 | C19 | C20 | H20 | 179.6° | 179.7° |
| C19 | C24 | C23 | C22 | 0.5° | 0.5° |
| C19 | C24 | C23 | C25 | 179.4° | 179.7° |
| C19 | C24 | C23 | H23 | 179.6° | 179.7° |
| C19 | C24 | C25 | O26 | 39.6° | 6.2° |
| C19 | C24 | C25 | O27 | 140.9° | 173.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| C20 | C19 | C24 | C23 | 0.7° | 0.6° |
| C20 | C19 | C24 | C25 | 179.9° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.4° | 0.1° |
| C20 | C21 | C22 | H22 | 179.6° | 180.0° |
| H20 | C20 | C21 | C22 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| H21 | C21 | C22 | C23 | 179.6° | 180.0° |
| H21 | C21 | C22 | H22 | 0.4° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 179.9° | 179.8° |
| H22 | C22 | C23 | C24 | 179.9° | 179.8° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | C25 | O26 | 141.0° | 173.5° |
| C23 | C24 | C25 | O27 | 38.5° | 6.6° |
| H23 | C23 | C24 | C25 | 0.1° | 0.0° |
| C24 | C25 | O26 | O27 | 179.5° | 179.9° |
| C24 | C25 | O27 | HO27 | 179.6° | 180.0° |
| O26 | C25 | O27 | HO27 | 0.0° | 0.1° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29B | 120.0° | 120.0° |
| C28 | C29 | H29A | H29B | 120.0° | 119.9° |
| C29 | C28 | C30 | C31 | 0.8° | 0.1° |
| C29 | C28 | C30 | C32 | 179.4° | 180.0° |
| C30 | C28 | C29 | H29 | 90.2° | 89.9° |
| C30 | C28 | C29 | H29A | 29.8° | 30.1° |
| C30 | C28 | C29 | H29B | 149.8° | 150.0° |
| C28 | C30 | C31 | C32 | 179.8° | 179.9° |
| C28 | C30 | C31 | H31 | 89.9° | 90.0° |
| C28 | C30 | C31 | H31A | 150.2° | 150.0° |
| C28 | C30 | C31 | H31B | 30.1° | 30.0° |
| C28 | C30 | C32 | C33 | 179.2° | 179.7° |
| H29 | C29 | H29A | H29B | 120.0° | 120.1° |
| C30 | C31 | H31 | H31A | 120.0° | 120.1° |
| C30 | C31 | H31 | H31B | 120.0° | 119.9° |
| C30 | C31 | H31A | H31B | 120.0° | 120.0° |
| C31 | C30 | C32 | C33 | 0.6° | 0.3° |
| C32 | C30 | C31 | H31 | 89.9° | 90.1° |
| C32 | C30 | C31 | H31A | 30.0° | 30.0° |
| C32 | C30 | C31 | H31B | 150.1° | 150.0° |
| C30 | C32 | C33 | H33 | 1.4° | 0.3° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| C39 | C34 | C35 | C36 | 3.1° | 0.3° |
| C39 | C34 | C35 | H35 | 176.8° | 179.7° |
| C34 | C39 | C38 | C37 | 1.3° | 0.6° |
| C34 | C39 | C38 | H39 | 180.0° | 179.7° |
| C34 | C39 | C38 | H38 | 178.7° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.5° | 0.0° |
| C34 | C35 | C36 | H36 | 178.5° | 179.9° |
| C35 | C34 | C39 | C38 | 3.1° | 0.6° |
| C35 | C34 | C39 | H39 | 176.9° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.3° | 0.0° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| H35 | C35 | C36 | C37 | 178.5° | 180.0° |
| H35 | C35 | C36 | H36 | 1.5° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.4° | 0.3° |
| C36 | C37 | C38 | H38 | 179.6° | 180.0° |
| H36 | C36 | C37 | C38 | 179.7° | 180.0° |
| H36 | C36 | C37 | H37 | 0.3° | 0.1° |
| C37 | C38 | C39 | H38 | 180.0° | 179.7° |
| C37 | C38 | C39 | H39 | 178.7° | 179.7° |
| H37 | C37 | C38 | C39 | 179.6° | 179.7° |
| H37 | C37 | C38 | H38 | 0.4° | 0.1° |
| H38 | C38 | C39 | H39 | 1.3° | 0.0° |
