B92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C4 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| N9 | C4 | sing | 1.46Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O7 | C6 | doub | 1.21Å | 1.22Å | |
| C6 | O8 | sing | 1.34Å | 1.35Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| N9 | C10 | sing | 1.35Å | 1.37Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C12 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| N21 | C12 | sing | 1.46Å | 1.44Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.32Å | 1.34Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C19 | sing | 1.50Å | 1.49Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.52Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.52Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N20 | C19 | sing | 1.47Å | 1.45Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N21 | N20 | sing | 1.42Å | 1.38Å | |
| C42 | N20 | sing | 1.33Å | 1.37Å | |
| C22 | N21 | sing | 1.33Å | 1.37Å | |
| O23 | C22 | doub | 1.22Å | 1.22Å | |
| C22 | N24 | sing | 1.35Å | 1.38Å | |
| C25 | N24 | sing | 1.47Å | 1.44Å | |
| N24 | C42 | sing | 1.35Å | 1.38Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| N32 | C26 | sing | 1.46Å | 1.45Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| O30 | C29 | doub | 1.21Å | 1.22Å | |
| C29 | O31 | sing | 1.34Å | 1.36Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| N32 | C33 | sing | 1.35Å | 1.38Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C35 | C33 | sing | 1.51Å | 1.51Å | |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| C36 | C35 | sing | 1.51Å | 1.49Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C37 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | O43 | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C4 | 118.0° | 120.0° |
| C1 | C2 | O3 | 119.2° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C4 | C2 | O3 | 122.8° | 120.0° |
| C2 | C4 | C5 | 107.7° | 109.5° |
| C2 | C4 | N9 | 106.8° | 109.5° |
| C2 | C4 | H4 | 112.8° | 109.4° |
| C5 | C4 | N9 | 110.6° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.5° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| C4 | C5 | H5A | 108.6° | 109.5° |
| N9 | C4 | H4 | 109.9° | 109.5° |
| C4 | N9 | C10 | 121.8° | 120.0° |
| C4 | N9 | HN9 | 119.1° | 120.0° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C6 | C5 | H5A | 108.6° | 109.5° |
| C5 | C6 | O7 | 125.4° | 120.0° |
| C5 | C6 | O8 | 112.8° | 120.0° |
| H5 | C5 | H5A | 110.3° | 109.4° |
| O7 | C6 | O8 | 121.8° | 120.0° |
| C6 | O8 | HO8 | 109.5° | 117.0° |
| C10 | N9 | HN9 | 119.1° | 120.1° |
| N9 | C10 | C12 | 116.3° | 120.0° |
| N9 | C10 | O11 | 118.9° | 120.0° |
| C12 | C10 | O11 | 124.8° | 120.0° |
| C10 | C12 | N21 | 98.0° | 109.8° |
| C10 | C12 | C13 | 108.4° | 109.9° |
| C10 | C12 | H12 | 117.5° | 109.9° |
| N21 | C12 | C13 | 110.4° | 107.5° |
| N21 | C12 | H12 | 115.8° | 109.9° |
| C12 | N21 | N20 | 123.7° | 120.5° |
| C12 | N21 | C22 | 126.5° | 132.3° |
| C13 | C12 | H12 | 106.5° | 109.9° |
| C12 | C13 | C14 | 123.8° | 122.7° |
| C12 | C13 | H13 | 118.1° | 118.7° |
| C14 | C13 | H13 | 118.1° | 118.6° |
| C13 | C14 | C19 | 123.0° | 121.5° |
| C13 | C14 | C15 | 121.8° | 116.7° |
| C19 | C14 | C15 | 115.2° | 121.8° |
| C14 | C19 | C18 | 111.0° | 113.5° |
| C14 | C19 | N20 | 111.5° | 108.4° |
| C14 | C19 | H19 | 111.6° | 108.8° |
| C14 | C15 | C16 | 110.3° | 110.7° |
| C14 | C15 | H15 | 109.2° | 109.2° |
| C14 | C15 | H15A | 109.2° | 109.2° |
| C16 | C15 | H15 | 109.2° | 109.2° |
| C16 | C15 | H15A | 109.2° | 109.2° |
| C15 | C16 | C17 | 112.6° | 108.6° |
| C15 | C16 | H16 | 108.4° | 109.6° |
| C15 | C16 | H16A | 108.4° | 109.6° |
| H15 | C15 | H15A | 109.7° | 109.2° |
| C17 | C16 | H16 | 108.5° | 109.7° |
| C17 | C16 | H16A | 108.5° | 109.6° |
| C16 | C17 | C18 | 110.0° | 108.9° |
| C16 | C17 | H17 | 109.3° | 109.6° |
| C16 | C17 | H17A | 109.3° | 109.6° |
| H16 | C16 | H16A | 110.5° | 109.7° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.7° |
| C17 | C18 | C19 | 102.6° | 111.9° |
| C17 | C18 | H18 | 111.8° | 109.0° |
| C17 | C18 | H18A | 111.8° | 109.0° |
| H17 | C17 | H17A | 109.6° | 109.6° |
| C19 | C18 | H18 | 111.8° | 108.9° |
| C19 | C18 | H18A | 111.8° | 108.9° |
| C18 | C19 | N20 | 119.7° | 109.0° |
| C18 | C19 | H19 | 101.2° | 108.8° |
| H18 | C18 | H18A | 107.0° | 109.0° |
| N20 | C19 | H19 | 100.6° | 108.2° |
| C19 | N20 | N21 | 123.2° | 121.2° |
| C19 | N20 | C42 | 126.9° | 131.7° |
| N21 | N20 | C42 | 109.5° | 107.2° |
| N20 | N21 | C22 | 109.4° | 107.3° |
| N20 | C42 | N24 | 104.5° | 108.2° |
| N20 | C42 | O43 | 127.2° | 125.9° |
| N21 | C22 | O23 | 126.3° | 125.9° |
| N21 | C22 | N24 | 104.6° | 108.1° |
| O23 | C22 | N24 | 129.1° | 126.0° |
| C22 | N24 | C25 | 124.6° | 125.4° |
| C22 | N24 | C42 | 111.9° | 109.3° |
| C25 | N24 | C42 | 123.4° | 125.4° |
| N24 | C25 | C26 | 111.1° | 109.4° |
| N24 | C25 | H25 | 108.9° | 109.5° |
| N24 | C25 | H25A | 108.9° | 109.5° |
| N24 | C42 | O43 | 128.2° | 125.9° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| C26 | C25 | H25A | 108.9° | 109.5° |
| C25 | C26 | C27 | 110.1° | 109.4° |
| C25 | C26 | N32 | 109.5° | 109.5° |
| C25 | C26 | H26 | 109.9° | 109.5° |
| H25 | C25 | H25A | 110.0° | 109.5° |
| C27 | C26 | N32 | 112.0° | 109.5° |
| C27 | C26 | H26 | 107.4° | 109.4° |
| C26 | C27 | C28 | 111.6° | 109.4° |
| C26 | C27 | H27 | 108.7° | 109.4° |
| C26 | C27 | H27A | 108.8° | 109.5° |
| N32 | C26 | H26 | 107.9° | 109.5° |
| C26 | N32 | C33 | 121.7° | 120.0° |
| C26 | N32 | HN32 | 119.1° | 120.0° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C28 | C27 | H27A | 108.8° | 109.5° |
| C27 | C28 | C29 | 110.9° | 109.5° |
| C27 | C28 | H28 | 109.0° | 109.5° |
| C27 | C28 | H28A | 109.0° | 109.5° |
| H27 | C27 | H27A | 110.2° | 109.5° |
| C29 | C28 | H28 | 109.0° | 109.5° |
| C29 | C28 | H28A | 109.0° | 109.5° |
| C28 | C29 | O30 | 127.2° | 120.0° |
| C28 | C29 | O31 | 110.7° | 120.0° |
| H28 | C28 | H28A | 110.0° | 109.5° |
| O30 | C29 | O31 | 122.0° | 120.0° |
| C29 | O31 | HO31 | 109.5° | 117.1° |
| C33 | N32 | HN32 | 119.2° | 120.0° |
| N32 | C33 | C35 | 115.1° | 120.0° |
| N32 | C33 | O34 | 124.6° | 120.0° |
| C35 | C33 | O34 | 120.4° | 120.0° |
| C33 | C35 | C36 | 113.5° | 109.5° |
| C33 | C35 | H35 | 108.1° | 109.5° |
| C33 | C35 | H35A | 108.1° | 109.5° |
| C36 | C35 | H35 | 108.1° | 109.4° |
| C36 | C35 | H35A | 108.2° | 109.4° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C35 | C36 | C41 | 120.6° | 120.0° |
| H35 | C35 | H35A | 110.8° | 109.4° |
| C37 | C36 | C41 | 119.8° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.1° |
| C36 | C41 | C40 | 120.5° | 120.0° |
| C36 | C41 | H41 | 119.8° | 120.0° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.3° | 120.0° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C39 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | C40 | 119.9° | 120.0° |
| C38 | C39 | H39 | 120.0° | 120.0° |
| C40 | C39 | H39 | 120.1° | 120.1° |
| C39 | C40 | C41 | 119.6° | 120.1° |
| C39 | C40 | H40 | 120.2° | 120.0° |
| C41 | C40 | H40 | 120.2° | 120.0° |
| C40 | C41 | H41 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | C2 | C4 | O3 | 179.9° | 179.9° |
| C1 | C2 | C4 | C5 | 138.5° | 74.9° |
| C1 | C2 | C4 | N9 | 19.7° | 165.0° |
| C1 | C2 | C4 | H4 | 101.1° | 45.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | C2 | C4 | 179.9° | 90.0° |
| H1 | C1 | C2 | O3 | 0.0° | 90.1° |
| H1A | C1 | C2 | C4 | 60.1° | 29.9° |
| H1A | C1 | C2 | O3 | 120.0° | 150.0° |
| H1B | C1 | C2 | C4 | 59.9° | 150.0° |
| H1B | C1 | C2 | O3 | 120.0° | 30.0° |
| C2 | C4 | C5 | N9 | 116.3° | 120.0° |
| C2 | C4 | C5 | H4 | 122.7° | 119.9° |
| C2 | C4 | N9 | H4 | 122.6° | 119.9° |
| C2 | C4 | C5 | C6 | 153.8° | 175.0° |
| C2 | C4 | C5 | H5 | 86.2° | 65.0° |
| C2 | C4 | C5 | H5A | 33.9° | 54.9° |
| C2 | C4 | N9 | C10 | 109.9° | 85.0° |
| C2 | C4 | N9 | HN9 | 70.1° | 95.0° |
| O3 | C2 | C4 | C5 | 41.6° | 105.0° |
| O3 | C2 | C4 | N9 | 160.4° | 15.1° |
| O3 | C2 | C4 | H4 | 78.7° | 135.0° |
| C5 | C4 | N9 | H4 | 120.5° | 120.1° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.1° |
| C4 | C5 | H5 | H5A | 119.0° | 120.0° |
| C4 | C5 | C6 | O7 | 158.6° | 0.0° |
| C4 | C5 | C6 | O8 | 23.5° | 180.0° |
| C5 | C4 | N9 | C10 | 133.2° | 155.0° |
| C5 | C4 | N9 | HN9 | 46.8° | 25.0° |
| N9 | C4 | C5 | C6 | 89.9° | 65.0° |
| N9 | C4 | C5 | H5 | 30.1° | 55.0° |
| N9 | C4 | C5 | H5A | 150.2° | 174.9° |
| C4 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C4 | N9 | C10 | C12 | 174.8° | 180.0° |
| C4 | N9 | C10 | O11 | 4.2° | 0.1° |
| H4 | C4 | C5 | C6 | 31.2° | 55.1° |
| H4 | C4 | C5 | H5 | 151.2° | 175.1° |
| H4 | C4 | C5 | H5A | 88.8° | 65.0° |
| H4 | C4 | N9 | C10 | 12.7° | 34.9° |
| H4 | C4 | N9 | HN9 | 167.3° | 145.0° |
| C6 | C5 | H5 | H5A | 119.0° | 120.0° |
| C5 | C6 | O7 | O8 | 177.7° | 180.0° |
| C5 | C6 | O8 | HO8 | 178.0° | 179.9° |
| H5 | C5 | C6 | O7 | 38.6° | 120.0° |
| H5 | C5 | C6 | O8 | 143.5° | 60.0° |
| H5A | C5 | C6 | O7 | 81.4° | 120.0° |
| H5A | C5 | C6 | O8 | 96.5° | 60.0° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.1° |
| N9 | C10 | C12 | O11 | 178.9° | 180.0° |
| N9 | C10 | C12 | N21 | 147.4° | 178.0° |
| N9 | C10 | C12 | C13 | 97.9° | 60.0° |
| N9 | C10 | C12 | H12 | 22.9° | 61.0° |
| HN9 | N9 | C10 | C12 | 5.2° | 0.0° |
| HN9 | N9 | C10 | O11 | 175.8° | 180.0° |
| C10 | C12 | N21 | C13 | 113.1° | 119.5° |
| C10 | C12 | N21 | H12 | 125.8° | 121.0° |
| C10 | C12 | C13 | H12 | 127.3° | 121.0° |
| C10 | C12 | C13 | C14 | 89.9° | 154.0° |
| C10 | C12 | C13 | H13 | 90.1° | 26.0° |
| C10 | C12 | N21 | N20 | 90.8° | 152.5° |
| C10 | C12 | N21 | C22 | 80.9° | 27.7° |
| O11 | C10 | C12 | N21 | 31.5° | 1.9° |
| O11 | C10 | C12 | C13 | 83.2° | 120.0° |
| O11 | C10 | C12 | H12 | 156.0° | 119.0° |
| N21 | C12 | C13 | H12 | 126.4° | 119.6° |
| N21 | C12 | C13 | C14 | 16.4° | 34.5° |
| N21 | C12 | C13 | H13 | 163.6° | 145.5° |
| C12 | N21 | N20 | C19 | 11.0° | 0.7° |
| C12 | N21 | N20 | C22 | 172.9° | 179.9° |
| C12 | N21 | N20 | C42 | 175.8° | 179.5° |
| C12 | N21 | C22 | O23 | 5.4° | 0.5° |
| C12 | N21 | C22 | N24 | 174.7° | 179.5° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C19 | 1.1° | 2.2° |
| C12 | C13 | C14 | C15 | 178.7° | 176.3° |
| C13 | C12 | N21 | N20 | 22.4° | 33.0° |
| C13 | C12 | N21 | C22 | 165.9° | 147.2° |
| H12 | C12 | C13 | C14 | 142.8° | 85.0° |
| H12 | C12 | C13 | H13 | 37.2° | 95.0° |
| H12 | C12 | N21 | N20 | 143.4° | 86.6° |
| H12 | C12 | N21 | C22 | 44.9° | 93.2° |
| C13 | C14 | C19 | C15 | 179.8° | 178.5° |
| C13 | C14 | C15 | C16 | 135.6° | 145.5° |
| C13 | C14 | C15 | H15 | 15.6° | 25.1° |
| C13 | C14 | C15 | H15A | 104.4° | 94.2° |
| C13 | C14 | C19 | C18 | 122.8° | 152.4° |
| C13 | C14 | C19 | N20 | 13.5° | 31.2° |
| C13 | C14 | C19 | H19 | 125.1° | 86.3° |
| H13 | C13 | C14 | C19 | 178.9° | 177.8° |
| H13 | C13 | C14 | C15 | 1.3° | 3.6° |
| C19 | C14 | C15 | C16 | 44.6° | 36.0° |
| C19 | C14 | C15 | H15 | 164.6° | 156.4° |
| C19 | C14 | C15 | H15A | 75.4° | 84.3° |
| C14 | C19 | C18 | C17 | 65.1° | 40.2° |
| C14 | C19 | C18 | N20 | 132.2° | 120.9° |
| C14 | C19 | C18 | H19 | 118.6° | 121.3° |
| C14 | C19 | C18 | H18 | 54.8° | 80.3° |
| C14 | C19 | C18 | H18A | 174.9° | 160.9° |
| C14 | C19 | N20 | H19 | 118.4° | 117.9° |
| C14 | C19 | N20 | N21 | 7.7° | 31.7° |
| C14 | C19 | N20 | C42 | 164.2° | 148.1° |
| C14 | C15 | C16 | H15 | 120.0° | 120.4° |
| C14 | C15 | C16 | H15A | 120.0° | 120.3° |
| C14 | C15 | H15 | H15A | 119.7° | 119.4° |
| C14 | C15 | C16 | C17 | 45.6° | 53.3° |
| C14 | C15 | C16 | H16 | 74.4° | 66.5° |
| C14 | C15 | C16 | H16A | 165.6° | 173.0° |
| C15 | C14 | C19 | C18 | 57.4° | 29.2° |
| C15 | C14 | C19 | N20 | 166.3° | 150.4° |
| C15 | C14 | C19 | H19 | 54.7° | 92.2° |
| C16 | C15 | H15 | H15A | 119.7° | 119.4° |
| C15 | C16 | C17 | H16 | 120.0° | 119.7° |
| C15 | C16 | C17 | H16A | 120.0° | 119.7° |
| C15 | C16 | H16 | H16A | 118.7° | 120.5° |
| C15 | C16 | C17 | C18 | 60.1° | 67.7° |
| C15 | C16 | C17 | H17 | 179.9° | 172.5° |
| C15 | C16 | C17 | H17A | 59.9° | 52.2° |
| H15 | C15 | C16 | C17 | 165.6° | 173.6° |
| H15 | C15 | C16 | H16 | 45.6° | 53.9° |
| H15 | C15 | C16 | H16A | 74.4° | 66.6° |
| H15A | C15 | C16 | C17 | 74.4° | 67.0° |
| H15A | C15 | C16 | H16 | 165.6° | 173.2° |
| H15A | C15 | C16 | H16A | 45.6° | 52.7° |
| C17 | C16 | H16 | H16A | 118.7° | 120.4° |
| C16 | C17 | C18 | H17 | 120.0° | 119.8° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C16 | C17 | H17 | H17A | 119.8° | 120.3° |
| C16 | C17 | C18 | C19 | 67.0° | 60.9° |
| C16 | C17 | C18 | H18 | 53.0° | 59.6° |
| C16 | C17 | C18 | H18A | 173.0° | 178.5° |
| H16 | C16 | C17 | C18 | 59.9° | 52.0° |
| H16 | C16 | C17 | H17 | 60.1° | 67.7° |
| H16 | C16 | C17 | H17A | 179.9° | 172.0° |
| H16A | C16 | C17 | C18 | 179.9° | 172.5° |
| H16A | C16 | C17 | H17 | 59.9° | 52.8° |
| H16A | C16 | C17 | H17A | 60.1° | 67.5° |
| C18 | C17 | H17 | H17A | 119.8° | 120.4° |
| C17 | C18 | C19 | H18 | 120.0° | 120.6° |
| C17 | C18 | C19 | H18A | 120.0° | 120.6° |
| C17 | C18 | H18 | H18A | 122.8° | 118.9° |
| C17 | C18 | C19 | N20 | 162.6° | 161.2° |
| C17 | C18 | C19 | H19 | 53.4° | 81.1° |
| H17 | C17 | C18 | C19 | 173.0° | 179.3° |
| H17 | C17 | C18 | H18 | 67.0° | 60.2° |
| H17 | C17 | C18 | H18A | 53.0° | 58.7° |
| H17A | C17 | C18 | C19 | 53.0° | 59.0° |
| H17A | C17 | C18 | H18 | 173.0° | 179.5° |
| H17A | C17 | C18 | H18A | 67.0° | 61.6° |
| C19 | C18 | H18 | H18A | 122.8° | 118.7° |
| C18 | C19 | N20 | H19 | 109.6° | 118.2° |
| C18 | C19 | N20 | N21 | 124.3° | 155.6° |
| C18 | C19 | N20 | C42 | 63.8° | 24.2° |
| H18 | C18 | C19 | N20 | 77.4° | 40.6° |
| H18 | C18 | C19 | H19 | 173.4° | 158.3° |
| H18A | C18 | C19 | N20 | 42.6° | 78.2° |
| H18A | C18 | C19 | H19 | 66.6° | 39.5° |
| C19 | N20 | N21 | C42 | 173.1° | 179.8° |
| C19 | N20 | N21 | C22 | 176.0° | 179.4° |
| C19 | N20 | C42 | N24 | 175.2° | 179.5° |
| C19 | N20 | C42 | O43 | 5.5° | 0.6° |
| H19 | C19 | N20 | N21 | 126.1° | 86.2° |
| H19 | C19 | N20 | C42 | 45.8° | 94.0° |
| N20 | N21 | C22 | O23 | 178.1° | 179.6° |
| N20 | N21 | C22 | N24 | 2.0° | 0.3° |
| N21 | N20 | C42 | N24 | 2.4° | 0.3° |
| N21 | N20 | C42 | O43 | 178.3° | 179.6° |
| C42 | N20 | N21 | C22 | 2.9° | 0.4° |
| N20 | C42 | N24 | C22 | 1.2° | 0.1° |
| N20 | C42 | N24 | C25 | 178.6° | 179.9° |
| N20 | C42 | N24 | O43 | 179.3° | 179.9° |
| N21 | C22 | O23 | N24 | 179.9° | 179.9° |
| N21 | C22 | N24 | C25 | 179.7° | 179.9° |
| N21 | C22 | N24 | C42 | 0.5° | 0.1° |
| O23 | C22 | N24 | C25 | 0.2° | 0.2° |
| O23 | C22 | N24 | C42 | 179.6° | 179.8° |
| C22 | N24 | C25 | C42 | 179.8° | 180.0° |
| C22 | N24 | C25 | C26 | 111.9° | 90.0° |
| C22 | N24 | C25 | H25 | 8.1° | 150.0° |
| C22 | N24 | C25 | H25A | 128.2° | 30.0° |
| C22 | N24 | C42 | O43 | 179.6° | 179.8° |
| N24 | C25 | C26 | H25 | 120.0° | 120.0° |
| N24 | C25 | C26 | H25A | 120.0° | 120.0° |
| N24 | C25 | H25 | H25A | 119.3° | 120.0° |
| N24 | C25 | C26 | C27 | 173.1° | 175.0° |
| N24 | C25 | C26 | N32 | 49.6° | 55.0° |
| N24 | C25 | C26 | H26 | 68.8° | 65.0° |
| C25 | N24 | C42 | O43 | 0.6° | 0.2° |
| C42 | N24 | C25 | C26 | 68.4° | 90.0° |
| C42 | N24 | C25 | H25 | 171.6° | 30.0° |
| C42 | N24 | C25 | H25A | 51.6° | 150.0° |
| C26 | C25 | H25 | H25A | 119.4° | 120.0° |
| C25 | C26 | C27 | N32 | 122.1° | 120.0° |
| C25 | C26 | C27 | H26 | 119.6° | 120.0° |
| C25 | C26 | N32 | H26 | 119.6° | 120.1° |
| C25 | C26 | C27 | C28 | 158.5° | 175.0° |
| C25 | C26 | C27 | H27 | 81.5° | 65.0° |
| C25 | C26 | C27 | H27A | 38.5° | 55.0° |
| C25 | C26 | N32 | C33 | 111.7° | 155.0° |
| C25 | C26 | N32 | HN32 | 68.3° | 24.9° |
| H25 | C25 | C26 | C27 | 53.2° | 55.0° |
| H25 | C25 | C26 | N32 | 70.4° | 65.0° |
| H25 | C25 | C26 | H26 | 171.2° | 175.0° |
| H25A | C25 | C26 | C27 | 66.9° | 65.0° |
| H25A | C25 | C26 | N32 | 169.6° | 175.0° |
| H25A | C25 | C26 | H26 | 51.2° | 54.9° |
| C27 | C26 | N32 | H26 | 117.9° | 120.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 119.1° | 120.0° |
| C26 | C27 | C28 | C29 | 148.8° | 180.0° |
| C26 | C27 | C28 | H28 | 91.3° | 60.0° |
| C26 | C27 | C28 | H28A | 28.8° | 60.0° |
| C27 | C26 | N32 | C33 | 125.9° | 85.1° |
| C27 | C26 | N32 | HN32 | 54.1° | 95.0° |
| N32 | C26 | C27 | C28 | 79.4° | 65.0° |
| N32 | C26 | C27 | H27 | 40.6° | 55.0° |
| N32 | C26 | C27 | H27A | 160.6° | 175.0° |
| C26 | N32 | C33 | HN32 | 180.0° | 179.9° |
| C26 | N32 | C33 | C35 | 163.1° | 180.0° |
| C26 | N32 | C33 | O34 | 17.5° | 0.1° |
| H26 | C26 | C27 | C28 | 38.9° | 55.0° |
| H26 | C26 | C27 | H27 | 158.9° | 175.0° |
| H26 | C26 | C27 | H27A | 81.1° | 65.0° |
| H26 | C26 | N32 | C33 | 7.9° | 34.9° |
| H26 | C26 | N32 | HN32 | 172.1° | 145.0° |
| C28 | C27 | H27 | H27A | 119.2° | 120.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28A | 119.4° | 120.0° |
| C27 | C28 | C29 | O30 | 3.5° | 0.0° |
| C27 | C28 | C29 | O31 | 176.1° | 180.0° |
| H27 | C27 | C28 | C29 | 28.8° | 60.0° |
| H27 | C27 | C28 | H28 | 148.8° | 180.0° |
| H27 | C27 | C28 | H28A | 91.2° | 60.0° |
| H27A | C27 | C28 | C29 | 91.3° | 60.0° |
| H27A | C27 | C28 | H28 | 28.7° | 60.0° |
| H27A | C27 | C28 | H28A | 148.8° | 180.0° |
| C29 | C28 | H28 | H28A | 119.4° | 120.0° |
| C28 | C29 | O30 | O31 | 179.6° | 180.0° |
| C28 | C29 | O31 | HO31 | 179.7° | 180.0° |
| H28 | C28 | C29 | O30 | 116.6° | 120.0° |
| H28 | C28 | C29 | O31 | 63.8° | 60.0° |
| H28A | C28 | C29 | O30 | 123.4° | 120.0° |
| H28A | C28 | C29 | O31 | 56.2° | 60.0° |
| O30 | C29 | O31 | HO31 | 0.0° | 0.0° |
| N32 | C33 | C35 | O34 | 179.4° | 179.9° |
| N32 | C33 | C35 | C36 | 20.7° | 180.0° |
| N32 | C33 | C35 | H35 | 140.7° | 60.0° |
| N32 | C33 | C35 | H35A | 99.3° | 60.0° |
| HN32 | N32 | C33 | C35 | 16.9° | 0.0° |
| HN32 | N32 | C33 | O34 | 162.5° | 180.0° |
| C33 | C35 | C36 | H35 | 120.0° | 120.1° |
| C33 | C35 | C36 | H35A | 120.0° | 120.0° |
| C33 | C35 | H35 | H35A | 118.3° | 120.1° |
| C33 | C35 | C36 | C37 | 100.9° | 90.0° |
| C33 | C35 | C36 | C41 | 79.1° | 90.2° |
| O34 | C33 | C35 | C36 | 159.9° | 0.0° |
| O34 | C33 | C35 | H35 | 39.9° | 120.0° |
| O34 | C33 | C35 | H35A | 80.1° | 119.9° |
| C36 | C35 | H35 | H35A | 118.4° | 119.9° |
| C35 | C36 | C37 | C41 | 179.9° | 179.8° |
| C35 | C36 | C37 | C38 | 179.4° | 179.9° |
| C35 | C36 | C37 | H37 | 0.6° | 0.0° |
| C35 | C36 | C41 | C40 | 179.6° | 179.7° |
| C35 | C36 | C41 | H41 | 0.3° | 0.2° |
| H35 | C35 | C36 | C37 | 139.1° | 30.1° |
| H35 | C35 | C36 | C41 | 40.9° | 149.7° |
| H35A | C35 | C36 | C37 | 19.1° | 150.0° |
| H35A | C35 | C36 | C41 | 160.9° | 29.8° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| C37 | C36 | C41 | C40 | 0.3° | 0.6° |
| C37 | C36 | C41 | H41 | 179.7° | 180.0° |
| C41 | C36 | C37 | C38 | 0.5° | 0.3° |
| C41 | C36 | C37 | H37 | 179.5° | 179.8° |
| C36 | C41 | C40 | C39 | 0.2° | 0.5° |
| C36 | C41 | C40 | H41 | 180.0° | 179.5° |
| C36 | C41 | C40 | H40 | 179.9° | 179.7° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C37 | C38 | C39 | H39 | 179.9° | 180.0° |
| H37 | C37 | C38 | C39 | 179.7° | 179.9° |
| H37 | C37 | C38 | H38 | 0.3° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.4° | 0.2° |
| C38 | C39 | C40 | H40 | 179.6° | 180.0° |
| H38 | C38 | C39 | C40 | 179.9° | 180.0° |
| H38 | C38 | C39 | H39 | 0.1° | 0.0° |
| C39 | C40 | C41 | H40 | 180.0° | 179.8° |
| C39 | C40 | C41 | H41 | 179.8° | 180.0° |
| H39 | C39 | C40 | C41 | 179.6° | 179.8° |
| H39 | C39 | C40 | H40 | 0.4° | 0.0° |
| H40 | C40 | C41 | H41 | 0.2° | 0.2° |
