BD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C42 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C41 | O44 | sing | 1.36Å | 1.36Å | |
| C41 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C35 | sing | 1.53Å | 1.56Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | N33 | sing | 1.46Å | 1.48Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | O45 | sing | 1.34Å | 1.09Å | |
| C36 | O46 | doub | 1.21Å | 1.25Å | |
| N33 | C32 | sing | 1.35Å | 1.33Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| C32 | O34 | doub | 1.21Å | 1.23Å | |
| C32 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | N22 | sing | 1.47Å | 1.49Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N22 | C21 | sing | 1.35Å | 1.35Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C21 | O23 | doub | 1.21Å | 1.24Å | |
| C21 | C12 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | N10 | sing | 1.47Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | O20 | sing | 1.36Å | 1.34Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N10 | C9 | sing | 1.35Å | 1.36Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C9 | O11 | doub | 1.21Å | 1.23Å | |
| C9 | O8 | sing | 1.35Å | 1.37Å | |
| O8 | C7 | sing | 1.45Å | 1.44Å | |
| C7 | C3 | sing | 1.51Å | 1.38Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O45 | H351 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C43 | C38 | 120.0° | 120.0° |
| C42 | C43 | H43 | 120.0° | 120.0° |
| C43 | C42 | C41 | 120.4° | 120.0° |
| C43 | C42 | H42 | 119.8° | 120.0° |
| C38 | C43 | H43 | 120.0° | 120.0° |
| C43 | C38 | C39 | 119.6° | 120.1° |
| C43 | C38 | C37 | 120.6° | 120.0° |
| C41 | C42 | H42 | 119.8° | 120.1° |
| C42 | C41 | O44 | 120.2° | 120.0° |
| C42 | C41 | C40 | 119.5° | 119.9° |
| O44 | C41 | C40 | 120.2° | 120.1° |
| C41 | O44 | HO44 | 109.5° | 114.0° |
| C41 | C40 | C39 | 120.4° | 120.0° |
| C41 | C40 | H40 | 119.8° | 120.0° |
| C39 | C40 | H40 | 119.8° | 120.0° |
| C40 | C39 | C38 | 120.1° | 120.0° |
| C40 | C39 | H39 | 120.0° | 120.0° |
| C38 | C39 | H39 | 120.0° | 119.9° |
| C39 | C38 | C37 | 119.8° | 119.9° |
| C38 | C37 | C35 | 117.4° | 109.5° |
| C38 | C37 | H37 | 106.9° | 109.5° |
| C38 | C37 | H37A | 105.1° | 109.5° |
| C35 | C37 | H37 | 106.9° | 109.5° |
| C35 | C37 | H37A | 105.1° | 109.4° |
| C37 | C35 | C36 | 111.9° | 109.5° |
| C37 | C35 | N33 | 115.9° | 109.5° |
| C37 | C35 | H35 | 101.9° | 109.4° |
| H37 | C37 | H37A | 115.9° | 109.5° |
| C36 | C35 | N33 | 105.7° | 109.5° |
| C36 | C35 | H35 | 112.9° | 109.5° |
| C35 | C36 | O45 | 117.7° | 120.0° |
| C35 | C36 | O46 | 117.2° | 120.0° |
| N33 | C35 | H35 | 108.7° | 109.5° |
| C35 | N33 | C32 | 122.9° | 120.0° |
| C35 | N33 | HN33 | 118.5° | 120.0° |
| O45 | C36 | O46 | 125.1° | 120.0° |
| C36 | O45 | H351 | 109.5° | 117.0° |
| C32 | N33 | HN33 | 118.5° | 120.0° |
| N33 | C32 | O34 | 124.1° | 120.0° |
| N33 | C32 | C24 | 113.4° | 120.0° |
| O34 | C32 | C24 | 122.4° | 120.0° |
| C32 | C24 | C25 | 109.9° | 109.5° |
| C32 | C24 | N22 | 119.1° | 109.5° |
| C32 | C24 | H24 | 104.2° | 109.5° |
| C25 | C24 | N22 | 115.1° | 109.5° |
| C25 | C24 | H24 | 109.5° | 109.4° |
| C24 | C25 | C26 | 115.7° | 109.5° |
| C24 | C25 | H25 | 107.5° | 109.4° |
| C24 | C25 | H25A | 106.0° | 109.4° |
| N22 | C24 | H24 | 97.4° | 109.5° |
| C24 | N22 | C21 | 121.2° | 120.0° |
| C24 | N22 | HN22 | 119.4° | 120.0° |
| C26 | C25 | H25 | 107.5° | 109.5° |
| C26 | C25 | H25A | 106.0° | 109.5° |
| C25 | C26 | C31 | 119.8° | 120.0° |
| C25 | C26 | C27 | 122.4° | 120.0° |
| H25 | C25 | H25A | 114.4° | 109.5° |
| C31 | C26 | C27 | 117.7° | 120.0° |
| C26 | C31 | C30 | 119.3° | 120.0° |
| C26 | C31 | H31 | 120.4° | 120.0° |
| C26 | C27 | C28 | 123.3° | 120.0° |
| C26 | C27 | H27 | 118.3° | 120.0° |
| C30 | C31 | H31 | 120.4° | 120.0° |
| C31 | C30 | C29 | 122.2° | 120.0° |
| C31 | C30 | H30 | 118.9° | 120.0° |
| C29 | C30 | H30 | 118.9° | 120.0° |
| C30 | C29 | C28 | 119.3° | 120.0° |
| C30 | C29 | H29 | 120.4° | 120.0° |
| C28 | C29 | H29 | 120.4° | 120.0° |
| C29 | C28 | C27 | 118.1° | 120.0° |
| C29 | C28 | H28 | 120.9° | 120.0° |
| C27 | C28 | H28 | 120.9° | 120.0° |
| C28 | C27 | H27 | 118.3° | 120.0° |
| C21 | N22 | HN22 | 119.4° | 120.0° |
| N22 | C21 | O23 | 123.8° | 120.0° |
| N22 | C21 | C12 | 117.8° | 120.0° |
| O23 | C21 | C12 | 118.3° | 120.0° |
| C21 | C12 | C13 | 119.2° | 109.5° |
| C21 | C12 | N10 | 113.0° | 109.5° |
| C21 | C12 | H12 | 102.4° | 109.5° |
| C13 | C12 | N10 | 117.5° | 109.5° |
| C13 | C12 | H12 | 95.2° | 109.5° |
| C12 | C13 | C14 | 110.6° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C12 | C13 | H13A | 108.9° | 109.5° |
| N10 | C12 | H12 | 105.1° | 109.4° |
| C12 | N10 | C9 | 132.8° | 120.0° |
| C12 | N10 | HN10 | 113.5° | 120.0° |
| C14 | C13 | H13 | 109.1° | 109.4° |
| C14 | C13 | H13A | 108.9° | 109.4° |
| C13 | C14 | C19 | 118.1° | 119.9° |
| C13 | C14 | C15 | 122.4° | 119.9° |
| H13 | C13 | H13A | 110.3° | 109.5° |
| C19 | C14 | C15 | 119.5° | 120.2° |
| C14 | C19 | C18 | 119.6° | 120.0° |
| C14 | C19 | H19 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | H15 | 119.6° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C18 | C17 | O20 | 118.5° | 120.1° |
| C18 | C17 | C16 | 121.1° | 119.9° |
| O20 | C17 | C16 | 120.4° | 120.1° |
| C17 | O20 | HO20 | 109.5° | 114.0° |
| C17 | C16 | C15 | 118.6° | 119.9° |
| C17 | C16 | H16 | 120.7° | 120.0° |
| C15 | C16 | H16 | 120.7° | 120.0° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C9 | N10 | HN10 | 113.6° | 120.1° |
| N10 | C9 | O11 | 128.0° | 120.0° |
| N10 | C9 | O8 | 114.7° | 120.0° |
| O11 | C9 | O8 | 117.2° | 120.0° |
| C9 | O8 | C7 | 120.2° | 117.0° |
| O8 | C7 | C3 | 122.0° | 109.5° |
| O8 | C7 | H7 | 105.5° | 109.5° |
| O8 | C7 | H7A | 102.6° | 109.5° |
| C3 | C7 | H7 | 105.5° | 109.5° |
| C3 | C7 | H7A | 102.6° | 109.5° |
| C7 | C3 | C2 | 119.6° | 120.0° |
| C7 | C3 | C4 | 119.2° | 120.0° |
| H7 | C7 | H7A | 119.9° | 109.4° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | C1 | 121.2° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C3 | C4 | C5 | 117.0° | 120.0° |
| C3 | C4 | H4 | 121.5° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C2 | C1 | C6 | 118.0° | 120.0° |
| C2 | C1 | H1 | 121.0° | 120.0° |
| C6 | C1 | H1 | 121.0° | 120.0° |
| C1 | C6 | C5 | 120.5° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | C4 | 122.0° | 120.0° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C5 | C4 | H4 | 121.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C43 | C38 | H43 | 180.0° | 179.7° |
| C43 | C42 | C41 | H42 | 180.0° | 179.9° |
| C43 | C42 | C41 | O44 | 179.9° | 180.0° |
| C43 | C42 | C41 | C40 | 0.1° | 0.0° |
| C42 | C43 | C38 | C39 | 0.7° | 0.0° |
| C42 | C43 | C38 | C37 | 179.4° | 179.9° |
| C38 | C43 | C42 | C41 | 0.3° | 0.0° |
| C38 | C43 | C42 | H42 | 179.7° | 179.9° |
| C43 | C38 | C39 | C40 | 0.8° | 0.1° |
| C43 | C38 | C39 | C37 | 178.7° | 179.9° |
| C43 | C38 | C39 | H39 | 179.2° | 180.0° |
| C43 | C38 | C37 | C35 | 92.0° | 90.0° |
| C43 | C38 | C37 | H37 | 28.0° | 150.0° |
| C43 | C38 | C37 | H37A | 151.7° | 29.9° |
| H43 | C43 | C42 | C41 | 179.7° | 179.7° |
| H43 | C43 | C42 | H42 | 0.3° | 0.3° |
| H43 | C43 | C38 | C39 | 179.3° | 179.7° |
| H43 | C43 | C38 | C37 | 0.6° | 0.2° |
| C42 | C41 | O44 | C40 | 180.0° | 180.0° |
| C42 | C41 | O44 | HO44 | 82.6° | 90.0° |
| C42 | C41 | C40 | C39 | 0.0° | 0.0° |
| C42 | C41 | C40 | H40 | 180.0° | 180.0° |
| H42 | C42 | C41 | O44 | 0.1° | 0.1° |
| H42 | C42 | C41 | C40 | 179.9° | 179.9° |
| O44 | C41 | C40 | C39 | 180.0° | 179.9° |
| O44 | C41 | C40 | H40 | 0.0° | 0.0° |
| C40 | C41 | O44 | HO44 | 97.4° | 90.0° |
| C41 | C40 | C39 | H40 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 0.5° | 0.1° |
| C41 | C40 | C39 | H39 | 179.5° | 180.0° |
| C40 | C39 | C38 | H39 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 179.5° | 180.0° |
| H40 | C40 | C39 | C38 | 179.5° | 179.9° |
| H40 | C40 | C39 | H39 | 0.5° | 0.0° |
| C39 | C38 | C37 | C35 | 89.4° | 90.1° |
| C39 | C38 | C37 | H37 | 150.6° | 29.9° |
| C39 | C38 | C37 | H37A | 26.9° | 150.0° |
| H39 | C39 | C38 | C37 | 0.5° | 0.1° |
| C38 | C37 | C35 | H37 | 120.0° | 120.1° |
| C38 | C37 | C35 | H37A | 116.3° | 120.0° |
| C38 | C37 | H37 | H37A | 116.8° | 120.0° |
| C38 | C37 | C35 | C36 | 110.8° | 175.0° |
| C38 | C37 | C35 | N33 | 10.5° | 64.9° |
| C38 | C37 | C35 | H35 | 128.3° | 55.1° |
| C35 | C37 | H37 | H37A | 116.7° | 119.9° |
| C37 | C35 | C36 | N33 | 127.1° | 120.1° |
| C37 | C35 | C36 | H35 | 114.3° | 119.9° |
| C37 | C35 | N33 | H35 | 113.9° | 120.0° |
| C37 | C35 | C36 | O45 | 123.0° | 60.0° |
| C37 | C35 | C36 | O46 | 58.1° | 120.1° |
| C37 | C35 | N33 | C32 | 115.8° | 155.0° |
| C37 | C35 | N33 | HN33 | 64.3° | 25.0° |
| H37 | C37 | C35 | C36 | 129.2° | 54.9° |
| H37 | C37 | C35 | N33 | 109.4° | 175.0° |
| H37 | C37 | C35 | H35 | 8.3° | 65.0° |
| H37A | C37 | C35 | C36 | 5.5° | 65.0° |
| H37A | C37 | C35 | N33 | 126.9° | 55.0° |
| H37A | C37 | C35 | H35 | 115.4° | 175.0° |
| C36 | C35 | N33 | H35 | 121.4° | 120.0° |
| C35 | C36 | O45 | O46 | 178.8° | 180.0° |
| C36 | C35 | N33 | C32 | 119.6° | 85.0° |
| C36 | C35 | N33 | HN33 | 60.4° | 95.0° |
| C35 | C36 | O45 | H351 | 178.8° | 180.0° |
| N33 | C35 | C36 | O45 | 4.1° | 180.0° |
| N33 | C35 | C36 | O46 | 174.8° | 0.0° |
| C35 | N33 | C32 | HN33 | 180.0° | 180.0° |
| C35 | N33 | C32 | O34 | 0.0° | 0.0° |
| C35 | N33 | C32 | C24 | 176.6° | 180.0° |
| H35 | C35 | C36 | O45 | 122.7° | 59.9° |
| H35 | C35 | C36 | O46 | 56.2° | 120.0° |
| H35 | C35 | N33 | C32 | 1.8° | 35.0° |
| H35 | C35 | N33 | HN33 | 178.2° | 145.0° |
| O46 | C36 | O45 | H351 | 0.0° | 0.1° |
| N33 | C32 | O34 | C24 | 176.3° | 180.0° |
| N33 | C32 | C24 | C25 | 136.9° | 60.0° |
| N33 | C32 | C24 | N22 | 87.3° | 180.0° |
| N33 | C32 | C24 | H24 | 19.6° | 60.0° |
| HN33 | N33 | C32 | O34 | 180.0° | 180.0° |
| HN33 | N33 | C32 | C24 | 3.4° | 0.0° |
| O34 | C32 | C24 | C25 | 39.8° | 120.0° |
| O34 | C32 | C24 | N22 | 96.0° | 0.0° |
| O34 | C32 | C24 | H24 | 157.0° | 120.0° |
| C32 | C24 | C25 | N22 | 137.7° | 120.0° |
| C32 | C24 | C25 | H24 | 113.9° | 120.0° |
| C32 | C24 | N22 | H24 | 110.8° | 120.0° |
| C32 | C24 | C25 | C26 | 161.5° | 175.0° |
| C32 | C24 | C25 | H25 | 41.4° | 65.0° |
| C32 | C24 | C25 | H25A | 81.3° | 55.0° |
| C32 | C24 | N22 | C21 | 79.5° | 154.9° |
| C32 | C24 | N22 | HN22 | 100.5° | 25.0° |
| C25 | C24 | N22 | H24 | 115.6° | 119.9° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 117.2° | 120.0° |
| C24 | C25 | H25 | H25A | 117.4° | 119.9° |
| C24 | C25 | C26 | C31 | 146.1° | 90.0° |
| C24 | C25 | C26 | C27 | 33.5° | 90.3° |
| C25 | C24 | N22 | C21 | 146.8° | 85.0° |
| C25 | C24 | N22 | HN22 | 33.2° | 95.1° |
| N22 | C24 | C25 | C26 | 23.7° | 65.0° |
| N22 | C24 | C25 | H25 | 96.3° | 55.0° |
| N22 | C24 | C25 | H25A | 140.9° | 175.0° |
| C24 | N22 | C21 | HN22 | 180.0° | 179.9° |
| C24 | N22 | C21 | O23 | 2.0° | 0.1° |
| C24 | N22 | C21 | C12 | 173.6° | 180.0° |
| H24 | C24 | C25 | C26 | 84.7° | 55.0° |
| H24 | C24 | C25 | H25 | 155.3° | 175.0° |
| H24 | C24 | C25 | H25A | 32.6° | 65.0° |
| H24 | C24 | N22 | C21 | 31.2° | 34.9° |
| H24 | C24 | N22 | HN22 | 148.7° | 145.0° |
| C26 | C25 | H25 | H25A | 117.5° | 120.1° |
| C25 | C26 | C31 | C27 | 179.7° | 179.7° |
| C25 | C26 | C31 | C30 | 179.1° | 179.9° |
| C25 | C26 | C31 | H31 | 0.9° | 0.0° |
| C25 | C26 | C27 | C28 | 179.0° | 179.8° |
| C25 | C26 | C27 | H27 | 1.0° | 0.0° |
| H25 | C25 | C26 | C31 | 26.1° | 30.0° |
| H25 | C25 | C26 | C27 | 153.5° | 149.7° |
| H25A | C25 | C26 | C31 | 96.7° | 150.0° |
| H25A | C25 | C26 | C27 | 83.7° | 29.7° |
| C26 | C31 | C30 | H31 | 180.0° | 179.9° |
| C26 | C31 | C30 | C29 | 0.2° | 0.0° |
| C26 | C31 | C30 | H30 | 179.9° | 180.0° |
| C31 | C26 | C27 | C28 | 0.7° | 0.5° |
| C31 | C26 | C27 | H27 | 179.4° | 179.7° |
| C27 | C26 | C31 | C30 | 0.6° | 0.2° |
| C27 | C26 | C31 | H31 | 179.5° | 179.7° |
| C26 | C27 | C28 | C29 | 0.3° | 0.4° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | H28 | 179.7° | 179.7° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.2° | 0.0° |
| C31 | C30 | C29 | H29 | 179.8° | 179.9° |
| H31 | C31 | C30 | C29 | 179.9° | 179.9° |
| H31 | C31 | C30 | H30 | 0.1° | 0.1° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.2° |
| C30 | C29 | C28 | H28 | 179.9° | 179.9° |
| H30 | C30 | C29 | C28 | 179.8° | 180.0° |
| H30 | C30 | C29 | H29 | 0.3° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | H27 | 179.7° | 179.8° |
| H29 | C29 | C28 | C27 | 179.9° | 179.8° |
| H29 | C29 | C28 | H28 | 0.1° | 0.0° |
| H28 | C28 | C27 | H27 | 0.3° | 0.1° |
| N22 | C21 | O23 | C12 | 175.6° | 179.9° |
| N22 | C21 | C12 | C13 | 118.3° | 60.0° |
| N22 | C21 | C12 | N10 | 25.9° | 179.9° |
| N22 | C21 | C12 | H12 | 138.4° | 60.1° |
| HN22 | N22 | C21 | O23 | 178.0° | 180.0° |
| HN22 | N22 | C21 | C12 | 6.4° | 0.1° |
| O23 | C21 | C12 | C13 | 65.8° | 120.0° |
| O23 | C21 | C12 | N10 | 150.0° | 0.0° |
| O23 | C21 | C12 | H12 | 37.5° | 120.0° |
| C21 | C12 | C13 | N10 | 142.6° | 120.0° |
| C21 | C12 | C13 | H12 | 107.3° | 120.1° |
| C21 | C12 | N10 | H12 | 110.9° | 120.0° |
| C21 | C12 | C13 | C14 | 166.6° | 175.0° |
| C21 | C12 | C13 | H13 | 73.4° | 55.1° |
| C21 | C12 | C13 | H13A | 47.0° | 65.0° |
| C21 | C12 | N10 | C9 | 91.4° | 154.9° |
| C21 | C12 | N10 | HN10 | 88.6° | 25.0° |
| C13 | C12 | N10 | H12 | 104.3° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 119.6° | 120.0° |
| C12 | C13 | H13 | H13A | 119.6° | 120.1° |
| C12 | C13 | C14 | C19 | 134.5° | 90.0° |
| C12 | C13 | C14 | C15 | 43.2° | 90.3° |
| C13 | C12 | N10 | C9 | 53.4° | 85.1° |
| C13 | C12 | N10 | HN10 | 126.6° | 95.0° |
| N10 | C12 | C13 | C14 | 23.9° | 65.0° |
| N10 | C12 | C13 | H13 | 143.9° | 175.0° |
| N10 | C12 | C13 | H13A | 95.6° | 54.9° |
| C12 | N10 | C9 | HN10 | 180.0° | 179.9° |
| C12 | N10 | C9 | O11 | 3.4° | 0.1° |
| C12 | N10 | C9 | O8 | 179.0° | 180.0° |
| H12 | C12 | C13 | C14 | 86.1° | 54.9° |
| H12 | C12 | C13 | H13 | 33.9° | 65.0° |
| H12 | C12 | C13 | H13A | 154.3° | 174.9° |
| H12 | C12 | N10 | C9 | 157.7° | 35.0° |
| H12 | C12 | N10 | HN10 | 22.3° | 145.0° |
| C14 | C13 | H13 | H13A | 119.5° | 120.0° |
| C13 | C14 | C19 | C15 | 177.7° | 179.7° |
| C13 | C14 | C19 | C18 | 179.1° | 180.0° |
| C13 | C14 | C19 | H19 | 0.9° | 0.0° |
| C13 | C14 | C15 | C16 | 178.5° | 179.8° |
| C13 | C14 | C15 | H15 | 1.5° | 0.1° |
| H13 | C13 | C14 | C19 | 105.5° | 30.0° |
| H13 | C13 | C14 | C15 | 76.8° | 149.8° |
| H13A | C13 | C14 | C19 | 14.9° | 150.0° |
| H13A | C13 | C14 | C15 | 162.8° | 29.7° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.8° | 0.0° |
| C14 | C19 | C18 | H18 | 179.2° | 180.0° |
| C19 | C14 | C15 | C16 | 0.8° | 0.5° |
| C19 | C14 | C15 | H15 | 179.1° | 179.7° |
| C15 | C14 | C19 | C18 | 1.3° | 0.3° |
| C15 | C14 | C19 | H19 | 178.7° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.4° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.8° | 179.7° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | O20 | 179.6° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| H19 | C19 | C18 | C17 | 179.2° | 180.0° |
| H19 | C19 | C18 | H18 | 0.8° | 0.1° |
| C18 | C17 | O20 | C16 | 179.4° | 179.9° |
| C18 | C17 | O20 | HO20 | 34.9° | 90.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.1° |
| C18 | C17 | C16 | H16 | 179.3° | 180.0° |
| H18 | C18 | C17 | O20 | 0.4° | 0.1° |
| H18 | C18 | C17 | C16 | 179.8° | 180.0° |
| O20 | C17 | C16 | C15 | 179.9° | 179.8° |
| O20 | C17 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | O20 | HO20 | 145.7° | 89.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | H15 | 179.8° | 179.7° |
| H16 | C16 | C15 | H15 | 0.2° | 0.2° |
| N10 | C9 | O11 | O8 | 177.5° | 179.9° |
| N10 | C9 | O8 | C7 | 90.8° | 180.0° |
| HN10 | N10 | C9 | O11 | 176.6° | 180.0° |
| HN10 | N10 | C9 | O8 | 1.0° | 0.1° |
| O11 | C9 | O8 | C7 | 91.3° | 0.1° |
| C9 | O8 | C7 | C3 | 110.3° | 180.0° |
| C9 | O8 | C7 | H7 | 9.7° | 60.0° |
| C9 | O8 | C7 | H7A | 136.0° | 60.0° |
| O8 | C7 | C3 | H7 | 120.0° | 120.0° |
| O8 | C7 | C3 | H7A | 113.7° | 120.0° |
| O8 | C7 | H7 | H7A | 114.8° | 120.0° |
| O8 | C7 | C3 | C2 | 8.4° | 90.0° |
| O8 | C7 | C3 | C4 | 172.1° | 90.2° |
| C3 | C7 | H7 | H7A | 114.8° | 120.0° |
| C7 | C3 | C2 | C4 | 179.4° | 179.8° |
| C7 | C3 | C2 | C1 | 179.6° | 180.0° |
| C7 | C3 | C2 | H2 | 0.4° | 0.0° |
| C7 | C3 | C4 | C5 | 179.3° | 179.8° |
| C7 | C3 | C4 | H4 | 0.7° | 0.1° |
| H7 | C7 | C3 | C2 | 111.6° | 30.0° |
| H7 | C7 | C3 | C4 | 67.9° | 149.7° |
| H7A | C7 | C3 | C2 | 122.1° | 150.0° |
| H7A | C7 | C3 | C4 | 58.4° | 29.8° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C3 | C2 | C1 | H1 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.2° |
| C4 | C3 | C2 | H2 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| H2 | C2 | C1 | C6 | 179.7° | 180.0° |
| H2 | C2 | C1 | H1 | 0.3° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C6 | C5 | 179.8° | 179.9° |
| H1 | C1 | C6 | H6 | 0.2° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 179.7° | 179.7° |
| H6 | C6 | C5 | C4 | 179.9° | 179.8° |
| H6 | C6 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C4 | H4 | 0.2° | 0.1° |
