599
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N2 | C13 | sing | 1.47Å | 1.45Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O5 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N16 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N21 | N16 | sing | 1.40Å | 1.39Å | Aromatic |
| N16 | C24 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| C39 | C22 | sing | 1.48Å | 1.48Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C33 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| N32 | C31 | sing | 1.47Å | 1.48Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | N32 | sing | 1.48Å | 1.48Å | |
| N32 | C69 | sing | 1.35Å | 1.36Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C45 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| CL81 | C43 | sing | 1.74Å | 1.79Å | |
| C44 | C43 | doub | 1.40Å | 1.39Å | Aromatic |
| C52 | C44 | sing | 1.43Å | 1.31Å | |
| C44 | C45 | sing | 1.40Å | 1.38Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C53 | C52 | trip | 1.17Å | 1.20Å | |
| C54 | C53 | sing | 1.43Å | 1.29Å | |
| C62 | C54 | doub | 1.40Å | 1.40Å | Aromatic |
| C58 | C54 | sing | 1.40Å | 1.39Å | Aromatic |
| C59 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C60 | C59 | sing | 1.38Å | 1.40Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| CL83 | C60 | sing | 1.74Å | 1.81Å | |
| C60 | C61 | doub | 1.39Å | 1.40Å | Aromatic |
| C61 | C62 | sing | 1.38Å | 1.40Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| O77 | C69 | doub | 1.21Å | 1.22Å | |
| C69 | C70 | sing | 1.51Å | 1.53Å | |
| C70 | O71 | sing | 1.43Å | 1.45Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å | |
| O71 | HO71 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | N2 | 106.5° | 109.2° |
| C6 | C1 | H1 | 110.5° | 109.5° |
| C6 | C1 | H1A | 110.5° | 109.5° |
| C1 | C6 | O5 | 109.1° | 109.2° |
| C1 | C6 | H6 | 109.6° | 109.5° |
| C1 | C6 | H6A | 109.6° | 109.5° |
| N2 | C1 | H1 | 110.5° | 109.5° |
| N2 | C1 | H1A | 110.5° | 109.6° |
| C1 | N2 | C13 | 119.7° | 111.0° |
| C1 | N2 | C3 | 120.9° | 110.8° |
| H1 | C1 | H1A | 108.4° | 109.5° |
| C13 | N2 | C3 | 119.4° | 111.0° |
| N2 | C13 | C14 | 107.1° | 109.5° |
| N2 | C13 | H13 | 110.3° | 109.5° |
| N2 | C13 | H13A | 110.3° | 109.5° |
| N2 | C3 | C4 | 109.3° | 109.3° |
| N2 | C3 | H3 | 109.5° | 109.6° |
| N2 | C3 | H3A | 109.5° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H3A | 109.5° | 109.5° |
| C3 | C4 | O5 | 110.9° | 109.3° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H4A | 109.0° | 109.6° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| O5 | C4 | H4 | 109.0° | 109.5° |
| O5 | C4 | H4A | 109.0° | 109.5° |
| C4 | O5 | C6 | 113.7° | 113.7° |
| H4 | C4 | H4A | 109.9° | 109.5° |
| O5 | C6 | H6 | 109.6° | 109.5° |
| O5 | C6 | H6A | 109.6° | 109.6° |
| H6 | C6 | H6A | 109.3° | 109.6° |
| C14 | C13 | H13 | 110.3° | 109.5° |
| C14 | C13 | H13A | 110.3° | 109.5° |
| C13 | C14 | C15 | 112.7° | 109.5° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| C13 | C14 | H14A | 108.4° | 109.5° |
| H13 | C13 | H13A | 108.6° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C15 | C14 | H14A | 108.4° | 109.4° |
| C14 | C15 | N16 | 110.2° | 109.5° |
| C14 | C15 | H15 | 109.2° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| H14 | C14 | H14A | 110.5° | 109.4° |
| N16 | C15 | H15 | 109.2° | 109.4° |
| N16 | C15 | H15A | 109.2° | 109.4° |
| C15 | N16 | N21 | 112.4° | 125.9° |
| C15 | N16 | C24 | 137.3° | 125.9° |
| H15 | C15 | H15A | 109.7° | 109.4° |
| N21 | N16 | C24 | 110.3° | 108.1° |
| N16 | N21 | C22 | 106.4° | 108.2° |
| N16 | C24 | C23 | 107.4° | 107.9° |
| N16 | C24 | C30 | 130.6° | 127.7° |
| N21 | C22 | C39 | 119.9° | 126.2° |
| N21 | C22 | C23 | 109.6° | 107.7° |
| C39 | C22 | C23 | 130.4° | 126.1° |
| C22 | C39 | C45 | 120.4° | 120.0° |
| C22 | C39 | C41 | 118.3° | 120.0° |
| C22 | C23 | C33 | 131.8° | 128.0° |
| C22 | C23 | C24 | 106.3° | 108.1° |
| C33 | C23 | C24 | 121.9° | 123.9° |
| C23 | C33 | N32 | 105.9° | 107.2° |
| C23 | C33 | H33 | 110.7° | 109.9° |
| C23 | C33 | H33A | 110.7° | 109.9° |
| C23 | C24 | C30 | 122.0° | 124.5° |
| C24 | C30 | C31 | 111.6° | 108.8° |
| C24 | C30 | H30 | 108.8° | 109.6° |
| C24 | C30 | H30A | 108.8° | 109.6° |
| C31 | C30 | H30 | 108.8° | 109.5° |
| C31 | C30 | H30A | 108.8° | 109.6° |
| C30 | C31 | N32 | 109.2° | 109.2° |
| C30 | C31 | H31 | 109.6° | 109.6° |
| C30 | C31 | H31A | 109.5° | 109.5° |
| H30 | C30 | H30A | 110.2° | 109.7° |
| N32 | C31 | H31 | 109.6° | 109.6° |
| N32 | C31 | H31A | 109.6° | 109.5° |
| C31 | N32 | C33 | 110.5° | 118.2° |
| C31 | N32 | C69 | 124.6° | 120.8° |
| H31 | C31 | H31A | 109.4° | 109.5° |
| C33 | N32 | C69 | 124.8° | 121.0° |
| N32 | C33 | H33 | 110.7° | 110.4° |
| N32 | C33 | H33A | 110.7° | 109.4° |
| N32 | C69 | O77 | 123.9° | 120.0° |
| N32 | C69 | C70 | 120.8° | 120.0° |
| H33 | C33 | H33A | 108.3° | 110.0° |
| C45 | C39 | C41 | 121.3° | 119.9° |
| C39 | C45 | C44 | 119.9° | 119.7° |
| C39 | C45 | H45 | 120.1° | 120.1° |
| C39 | C41 | C42 | 119.1° | 120.2° |
| C39 | C41 | H41 | 120.4° | 119.9° |
| C42 | C41 | H41 | 120.4° | 119.9° |
| C41 | C42 | C43 | 119.7° | 120.3° |
| C41 | C42 | H42 | 120.1° | 119.8° |
| C43 | C42 | H42 | 120.1° | 119.9° |
| C42 | C43 | CL81 | 118.0° | 120.0° |
| C42 | C43 | C44 | 121.8° | 120.1° |
| CL81 | C43 | C44 | 120.1° | 119.9° |
| C43 | C44 | C52 | 119.2° | 120.2° |
| C43 | C44 | C45 | 118.1° | 119.8° |
| C52 | C44 | C45 | 122.7° | 120.1° |
| C44 | C52 | C53 | 170.8° | 179.9° |
| C44 | C45 | H45 | 120.1° | 120.1° |
| C52 | C53 | C54 | 175.0° | 180.0° |
| C53 | C54 | C62 | 122.5° | 120.2° |
| C53 | C54 | C58 | 118.5° | 120.2° |
| C62 | C54 | C58 | 119.0° | 119.7° |
| C54 | C62 | C61 | 120.4° | 119.8° |
| C54 | C62 | H62 | 119.8° | 120.0° |
| C54 | C58 | C59 | 121.1° | 119.8° |
| C54 | C58 | H58 | 119.5° | 120.1° |
| C59 | C58 | H58 | 119.5° | 120.1° |
| C58 | C59 | C60 | 120.1° | 120.2° |
| C58 | C59 | H59 | 120.0° | 119.9° |
| C60 | C59 | H59 | 119.9° | 119.9° |
| C59 | C60 | CL83 | 118.9° | 119.9° |
| C59 | C60 | C61 | 119.5° | 120.3° |
| CL83 | C60 | C61 | 121.6° | 119.8° |
| C60 | C61 | C62 | 120.0° | 120.1° |
| C60 | C61 | H61 | 120.1° | 119.9° |
| C62 | C61 | H61 | 120.0° | 119.9° |
| C61 | C62 | H62 | 119.8° | 120.1° |
| O77 | C69 | C70 | 115.1° | 120.0° |
| C69 | C70 | O71 | 110.8° | 109.4° |
| C69 | C70 | H70 | 109.0° | 109.5° |
| C69 | C70 | H70A | 109.0° | 109.5° |
| O71 | C70 | H70 | 109.0° | 109.5° |
| O71 | C70 | H70A | 109.0° | 109.5° |
| C70 | O71 | HO71 | 109.5° | 114.0° |
| H70 | C70 | H70A | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | N2 | H1 | 120.0° | 119.9° |
| C6 | C1 | N2 | H1A | 120.0° | 120.0° |
| C6 | C1 | H1 | H1A | 121.2° | 120.1° |
| C6 | C1 | N2 | C13 | 130.4° | 177.6° |
| C6 | C1 | N2 | C3 | 49.7° | 58.6° |
| C1 | C6 | O5 | C4 | 65.3° | 58.7° |
| C1 | C6 | O5 | H6 | 120.0° | 119.9° |
| C1 | C6 | O5 | H6A | 120.0° | 119.9° |
| C1 | C6 | H6 | H6A | 120.1° | 120.1° |
| N2 | C1 | H1 | H1A | 121.2° | 120.2° |
| C1 | N2 | C13 | C3 | 179.9° | 123.7° |
| C1 | N2 | C3 | C4 | 44.6° | 58.6° |
| C1 | N2 | C3 | H3 | 164.6° | 178.6° |
| C1 | N2 | C3 | H3A | 75.3° | 61.3° |
| N2 | C1 | C6 | O5 | 55.6° | 56.8° |
| N2 | C1 | C6 | H6 | 175.6° | 176.7° |
| N2 | C1 | C6 | H6A | 64.4° | 63.1° |
| C1 | N2 | C13 | C14 | 117.4° | 170.0° |
| C1 | N2 | C13 | H13 | 122.6° | 70.0° |
| C1 | N2 | C13 | H13A | 2.6° | 50.0° |
| H1 | C1 | N2 | C13 | 10.3° | 62.5° |
| H1 | C1 | N2 | C3 | 169.7° | 61.3° |
| H1 | C1 | C6 | O5 | 175.6° | 63.1° |
| H1 | C1 | C6 | H6 | 64.4° | 56.8° |
| H1 | C1 | C6 | H6A | 55.6° | 177.0° |
| H1A | C1 | N2 | C13 | 109.6° | 57.6° |
| H1A | C1 | N2 | C3 | 70.3° | 178.6° |
| H1A | C1 | C6 | O5 | 64.4° | 176.8° |
| H1A | C1 | C6 | H6 | 55.6° | 63.3° |
| H1A | C1 | C6 | H6A | 175.6° | 56.9° |
| C13 | N2 | C3 | C4 | 135.4° | 177.6° |
| C13 | N2 | C3 | H3 | 15.4° | 57.6° |
| C13 | N2 | C3 | H3A | 104.6° | 62.4° |
| N2 | C13 | C14 | H13 | 120.0° | 120.0° |
| N2 | C13 | C14 | H13A | 120.0° | 120.1° |
| N2 | C13 | H13 | H13A | 121.0° | 120.0° |
| N2 | C13 | C14 | C15 | 164.1° | 180.0° |
| N2 | C13 | C14 | H14 | 75.9° | 60.0° |
| N2 | C13 | C14 | H14A | 44.1° | 60.0° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 120.0° | 119.9° |
| N2 | C3 | H3 | H3A | 120.1° | 120.1° |
| N2 | C3 | C4 | O5 | 44.7° | 56.8° |
| N2 | C3 | C4 | H4 | 75.4° | 63.1° |
| N2 | C3 | C4 | H4A | 164.7° | 176.8° |
| C3 | N2 | C13 | C14 | 62.6° | 46.3° |
| C3 | N2 | C13 | H13 | 57.5° | 166.3° |
| C3 | N2 | C13 | H13A | 177.4° | 73.7° |
| C4 | C3 | H3 | H3A | 120.1° | 120.1° |
| C3 | C4 | O5 | H4 | 120.0° | 120.0° |
| C3 | C4 | O5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.4° | 120.1° |
| C3 | C4 | O5 | C6 | 59.2° | 58.7° |
| H3 | C3 | C4 | O5 | 164.7° | 176.8° |
| H3 | C3 | C4 | H4 | 44.6° | 56.9° |
| H3 | C3 | C4 | H4A | 75.3° | 63.2° |
| H3A | C3 | C4 | O5 | 75.3° | 63.1° |
| H3A | C3 | C4 | H4 | 164.7° | 176.9° |
| H3A | C3 | C4 | H4A | 44.7° | 56.8° |
| O5 | C4 | H4 | H4A | 119.4° | 120.0° |
| C4 | O5 | C6 | H6 | 174.7° | 178.6° |
| C4 | O5 | C6 | H6A | 54.7° | 61.3° |
| H4 | C4 | O5 | C6 | 60.9° | 61.3° |
| H4A | C4 | O5 | C6 | 179.1° | 178.7° |
| O5 | C6 | H6 | H6A | 120.1° | 120.2° |
| C14 | C13 | H13 | H13A | 120.9° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.1° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 118.7° | 120.0° |
| C13 | C14 | C15 | N16 | 88.5° | 180.0° |
| C13 | C14 | C15 | H15 | 151.5° | 60.0° |
| C13 | C14 | C15 | H15A | 31.5° | 60.0° |
| H13 | C13 | C14 | C15 | 44.1° | 60.0° |
| H13 | C13 | C14 | H14 | 164.1° | 179.9° |
| H13 | C13 | C14 | H14A | 75.9° | 60.0° |
| H13A | C13 | C14 | C15 | 75.9° | 60.0° |
| H13A | C13 | C14 | H14 | 44.1° | 60.1° |
| H13A | C13 | C14 | H14A | 164.1° | 179.9° |
| C15 | C14 | H14 | H14A | 118.7° | 120.0° |
| C14 | C15 | N16 | H15 | 120.0° | 120.1° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.7° | 120.0° |
| C14 | C15 | N16 | N21 | 104.0° | 89.6° |
| C14 | C15 | N16 | C24 | 75.8° | 90.0° |
| H14 | C14 | C15 | N16 | 31.5° | 60.0° |
| H14 | C14 | C15 | H15 | 88.5° | 179.9° |
| H14 | C14 | C15 | H15A | 151.5° | 60.1° |
| H14A | C14 | C15 | N16 | 151.5° | 60.0° |
| H14A | C14 | C15 | H15 | 31.5° | 60.0° |
| H14A | C14 | C15 | H15A | 88.5° | 180.0° |
| N16 | C15 | H15 | H15A | 119.7° | 119.9° |
| C15 | N16 | N21 | C24 | 179.9° | 179.7° |
| C15 | N16 | N21 | C22 | 179.5° | 180.0° |
| C15 | N16 | C24 | C23 | 179.5° | 179.7° |
| C15 | N16 | C24 | C30 | 1.5° | 0.4° |
| H15 | C15 | N16 | N21 | 136.0° | 150.3° |
| H15 | C15 | N16 | C24 | 44.2° | 30.1° |
| H15A | C15 | N16 | N21 | 16.0° | 30.4° |
| H15A | C15 | N16 | C24 | 164.2° | 150.0° |
| N16 | N21 | C22 | C39 | 177.6° | 180.0° |
| N16 | N21 | C22 | C23 | 1.4° | 0.0° |
| N21 | N16 | C24 | C23 | 0.4° | 0.6° |
| N21 | N16 | C24 | C30 | 178.6° | 179.3° |
| C24 | N16 | N21 | C22 | 0.6° | 0.4° |
| N16 | C24 | C23 | C22 | 1.2° | 0.7° |
| N16 | C24 | C23 | C33 | 178.4° | 179.4° |
| N16 | C24 | C23 | C30 | 179.1° | 179.9° |
| N16 | C24 | C30 | C31 | 176.3° | 162.2° |
| N16 | C24 | C30 | H30 | 56.3° | 78.0° |
| N16 | C24 | C30 | H30A | 63.7° | 42.3° |
| N21 | C22 | C39 | C23 | 175.3° | 179.9° |
| N21 | C22 | C23 | C33 | 178.4° | 179.6° |
| N21 | C22 | C23 | C24 | 1.6° | 0.4° |
| N21 | C22 | C39 | C45 | 136.1° | 35.2° |
| N21 | C22 | C39 | C41 | 40.5° | 145.1° |
| C39 | C22 | C23 | C33 | 5.9° | 0.3° |
| C39 | C22 | C23 | C24 | 177.3° | 179.7° |
| C22 | C39 | C45 | C41 | 176.4° | 179.7° |
| C22 | C39 | C41 | C42 | 179.3° | 180.0° |
| C22 | C39 | C41 | H41 | 0.7° | 0.0° |
| C22 | C39 | C45 | C44 | 178.9° | 179.7° |
| C22 | C39 | C45 | H45 | 1.1° | 0.2° |
| C22 | C23 | C33 | C24 | 176.4° | 179.9° |
| C22 | C23 | C24 | C30 | 177.9° | 179.3° |
| C22 | C23 | C33 | N32 | 149.6° | 168.3° |
| C22 | C23 | C33 | H33 | 29.7° | 71.7° |
| C22 | C23 | C33 | H33A | 90.4° | 49.4° |
| C23 | C22 | C39 | C45 | 39.3° | 144.7° |
| C23 | C22 | C39 | C41 | 144.2° | 35.0° |
| C33 | C23 | C24 | C30 | 0.7° | 0.7° |
| C23 | C33 | N32 | C31 | 62.6° | 44.6° |
| C23 | C33 | N32 | H33 | 120.0° | 119.7° |
| C23 | C33 | N32 | H33A | 120.0° | 119.2° |
| C23 | C33 | N32 | C69 | 113.5° | 135.6° |
| C23 | C33 | H33 | H33A | 121.5° | 121.2° |
| C23 | C24 | C30 | C31 | 4.8° | 17.9° |
| C23 | C24 | C30 | H30 | 124.8° | 101.9° |
| C23 | C24 | C30 | H30A | 115.2° | 137.8° |
| C24 | C23 | C33 | N32 | 26.8° | 11.7° |
| C24 | C23 | C33 | H33 | 146.7° | 108.3° |
| C24 | C23 | C33 | H33A | 93.2° | 130.5° |
| C24 | C30 | C31 | H30 | 120.0° | 119.8° |
| C24 | C30 | C31 | H30A | 120.0° | 119.9° |
| C24 | C30 | H30 | H30A | 119.2° | 120.3° |
| C24 | C30 | C31 | N32 | 38.4° | 45.4° |
| C24 | C30 | C31 | H31 | 81.6° | 165.3° |
| C24 | C30 | C31 | H31A | 158.4° | 74.6° |
| C31 | C30 | H30 | H30A | 119.1° | 120.4° |
| C30 | C31 | N32 | H31 | 120.0° | 120.0° |
| C30 | C31 | N32 | H31A | 120.0° | 119.9° |
| C30 | C31 | H31 | H31A | 120.1° | 120.1° |
| C30 | C31 | N32 | C33 | 71.4° | 64.6° |
| C30 | C31 | N32 | C69 | 104.7° | 115.6° |
| H30 | C30 | C31 | N32 | 158.4° | 74.4° |
| H30 | C30 | C31 | H31 | 38.4° | 45.6° |
| H30 | C30 | C31 | H31A | 81.6° | 165.6° |
| H30A | C30 | C31 | N32 | 81.6° | 165.2° |
| H30A | C30 | C31 | H31 | 158.4° | 74.8° |
| H30A | C30 | C31 | H31A | 38.4° | 45.3° |
| N32 | C31 | H31 | H31A | 120.1° | 120.1° |
| C31 | N32 | C33 | C69 | 176.1° | 179.8° |
| C31 | N32 | C33 | H33 | 177.4° | 75.1° |
| C31 | N32 | C33 | H33A | 57.3° | 163.8° |
| C31 | N32 | C69 | O77 | 179.7° | 180.0° |
| C31 | N32 | C69 | C70 | 5.4° | 0.0° |
| H31 | C31 | N32 | C33 | 48.6° | 175.4° |
| H31 | C31 | N32 | C69 | 135.3° | 4.4° |
| H31A | C31 | N32 | C33 | 168.6° | 55.3° |
| H31A | C31 | N32 | C69 | 15.3° | 124.5° |
| N32 | C33 | H33 | H33A | 121.5° | 120.8° |
| C33 | N32 | C69 | O77 | 4.8° | 0.2° |
| C33 | N32 | C69 | C70 | 170.2° | 179.8° |
| C69 | N32 | C33 | H33 | 6.5° | 104.7° |
| C69 | N32 | C33 | H33A | 126.6° | 16.4° |
| N32 | C69 | O77 | C70 | 175.2° | 180.0° |
| N32 | C69 | C70 | O71 | 152.0° | 180.0° |
| N32 | C69 | C70 | H70 | 88.0° | 60.0° |
| N32 | C69 | C70 | H70A | 32.0° | 60.0° |
| C45 | C39 | C41 | C42 | 2.8° | 0.3° |
| C45 | C39 | C41 | H41 | 177.2° | 179.7° |
| C39 | C45 | C44 | C43 | 1.5° | 0.5° |
| C39 | C45 | C44 | C52 | 179.7° | 179.7° |
| C39 | C45 | C44 | H45 | 180.0° | 179.5° |
| C39 | C41 | C42 | H41 | 180.0° | 180.0° |
| C39 | C41 | C42 | C43 | 2.3° | 0.0° |
| C39 | C41 | C42 | H42 | 177.7° | 179.9° |
| C41 | C39 | C45 | C44 | 2.4° | 0.5° |
| C41 | C39 | C45 | H45 | 177.5° | 180.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | CL81 | 178.3° | 180.0° |
| C41 | C42 | C43 | C44 | 1.5° | 0.1° |
| H41 | C41 | C42 | C43 | 177.7° | 180.0° |
| H41 | C41 | C42 | H42 | 2.3° | 0.1° |
| C42 | C43 | CL81 | C44 | 179.8° | 180.0° |
| C42 | C43 | C44 | C52 | 179.3° | 180.0° |
| C42 | C43 | C44 | C45 | 1.1° | 0.2° |
| H42 | C42 | C43 | CL81 | 1.7° | 0.1° |
| H42 | C42 | C43 | C44 | 178.5° | 180.0° |
| CL81 | C43 | C44 | C52 | 0.5° | 0.0° |
| CL81 | C43 | C44 | C45 | 178.7° | 179.8° |
| C43 | C44 | C52 | C45 | 178.1° | 179.8° |
| C43 | C44 | C45 | H45 | 178.5° | 180.0° |
| C43 | C44 | C52 | C53 | 79.2° | 46.5° |
| C52 | C44 | C45 | H45 | 0.3° | 0.2° |
| C44 | C52 | C53 | C54 | 26.4° | 176.3° |
| C45 | C44 | C52 | C53 | 98.9° | 133.3° |
| C52 | C53 | C54 | C62 | 45.4° | 129.6° |
| C52 | C53 | C54 | C58 | 134.6° | 50.1° |
| C53 | C54 | C62 | C58 | 179.9° | 179.7° |
| C53 | C54 | C58 | C59 | 179.4° | 180.0° |
| C53 | C54 | C58 | H58 | 0.6° | 0.1° |
| C53 | C54 | C62 | C61 | 179.9° | 179.8° |
| C53 | C54 | C62 | H62 | 0.1° | 0.3° |
| C62 | C54 | C58 | C59 | 0.6° | 0.3° |
| C62 | C54 | C58 | H58 | 179.5° | 179.8° |
| C54 | C62 | C61 | C60 | 0.1° | 0.5° |
| C54 | C62 | C61 | H62 | 180.0° | 179.5° |
| C54 | C62 | C61 | H61 | 179.9° | 179.7° |
| C54 | C58 | C59 | H58 | 180.0° | 179.9° |
| C54 | C58 | C59 | C60 | 1.0° | 0.1° |
| C54 | C58 | C59 | H59 | 179.0° | 180.0° |
| C58 | C54 | C62 | C61 | 0.1° | 0.5° |
| C58 | C54 | C62 | H62 | 179.9° | 179.9° |
| C58 | C59 | C60 | H59 | 180.0° | 180.0° |
| C58 | C59 | C60 | CL83 | 179.3° | 180.0° |
| C58 | C59 | C60 | C61 | 0.8° | 0.0° |
| H58 | C58 | C59 | C60 | 179.1° | 180.0° |
| H58 | C58 | C59 | H59 | 0.9° | 0.1° |
| C59 | C60 | CL83 | C61 | 178.5° | 180.0° |
| C59 | C60 | C61 | C62 | 0.3° | 0.2° |
| C59 | C60 | C61 | H61 | 179.7° | 180.0° |
| H59 | C59 | C60 | CL83 | 0.7° | 0.0° |
| H59 | C59 | C60 | C61 | 179.2° | 179.9° |
| CL83 | C60 | C61 | C62 | 178.7° | 179.8° |
| CL83 | C60 | C61 | H61 | 1.3° | 0.0° |
| C60 | C61 | C62 | H61 | 180.0° | 179.8° |
| C60 | C61 | C62 | H62 | 179.9° | 180.0° |
| H61 | C61 | C62 | H62 | 0.1° | 0.2° |
| O77 | C69 | C70 | O71 | 23.4° | 0.0° |
| O77 | C69 | C70 | H70 | 96.6° | 120.0° |
| O77 | C69 | C70 | H70A | 143.4° | 120.0° |
| C69 | C70 | O71 | H70 | 120.0° | 120.0° |
| C69 | C70 | O71 | H70A | 120.0° | 120.0° |
| C69 | C70 | H70 | H70A | 119.4° | 120.0° |
| C69 | C70 | O71 | HO71 | 10.9° | 180.0° |
| O71 | C70 | H70 | H70A | 119.5° | 120.0° |
| H70 | C70 | O71 | HO71 | 109.1° | 60.0° |
| H70A | C70 | O71 | HO71 | 130.9° | 60.0° |
