UMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C34 | sing | 1.43Å | 1.43Å | |
| O33 | C32 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | N29 | sing | 1.46Å | 1.45Å | |
| N29 | C28 | sing | 1.38Å | 1.35Å | |
| C28 | N27 | doub | 1.32Å | 1.35Å | Aromatic |
| C28 | N36 | sing | 1.33Å | 1.35Å | Aromatic |
| N27 | C26 | sing | 1.33Å | 1.35Å | Aromatic |
| N36 | C37 | doub | 1.32Å | 1.33Å | Aromatic |
| C26 | C21 | sing | 1.48Å | 1.49Å | |
| C26 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | CL39 | sing | 1.74Å | 1.74Å | |
| O25 | C24 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.48Å | 1.48Å | |
| C23 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N16 | sing | 1.34Å | 1.36Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| N16 | C15 | sing | 1.46Å | 1.45Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C13 | N12 | sing | 1.35Å | 1.32Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| N12 | C3 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.54Å | 1.55Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.54Å | 1.49Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.08Å | 1.08Å | |
| C8 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H50 | sing | 1.08Å | 1.08Å | |
| C15 | H52 | sing | 1.09Å | 1.10Å | |
| C15 | H53 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.08Å | 1.08Å | |
| C22 | H58 | sing | 1.08Å | 1.08Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.08Å | 1.08Å | |
| O1 | H40 | sing | 0.97Å | 0.95Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H49 | sing | 1.08Å | 1.08Å | |
| N12 | H51 | sing | 0.97Å | 1.00Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.08Å | 1.08Å | |
| N29 | H59 | sing | 0.97Å | 1.00Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | O33 | C32 | 110.1° | 114.1° |
| O33 | C34 | C35 | 111.1° | 109.4° |
| O33 | C34 | H66 | 109.0° | 109.5° |
| O33 | C34 | H65 | 109.1° | 109.5° |
| O33 | C32 | C31 | 111.4° | 109.4° |
| O33 | C32 | H63 | 109.0° | 109.5° |
| O33 | C32 | H64 | 109.0° | 109.5° |
| C34 | C35 | C30 | 111.6° | 109.2° |
| C34 | C35 | H67 | 108.9° | 109.6° |
| C34 | C35 | H68 | 108.9° | 109.6° |
| C35 | C34 | H66 | 109.1° | 109.5° |
| C35 | C34 | H65 | 109.0° | 109.5° |
| C35 | C30 | C31 | 110.4° | 109.0° |
| C35 | C30 | N29 | 110.6° | 109.6° |
| C30 | C35 | H67 | 108.9° | 109.5° |
| C30 | C35 | H68 | 109.0° | 109.5° |
| C35 | C30 | H60 | 107.9° | 109.5° |
| C32 | C31 | C30 | 111.0° | 109.2° |
| C32 | C31 | H61 | 109.1° | 109.5° |
| C32 | C31 | H62 | 109.1° | 109.5° |
| C31 | C32 | H63 | 109.0° | 109.4° |
| C31 | C32 | H64 | 109.0° | 109.5° |
| C31 | C30 | N29 | 110.7° | 109.6° |
| C30 | C31 | H61 | 109.1° | 109.6° |
| C30 | C31 | H62 | 109.1° | 109.5° |
| C31 | C30 | H60 | 108.1° | 109.5° |
| C30 | N29 | C28 | 126.0° | 120.0° |
| C30 | N29 | H59 | 105.2° | 120.0° |
| N29 | C30 | H60 | 109.0° | 109.6° |
| N29 | C28 | N27 | 117.5° | 119.1° |
| N29 | C28 | N36 | 117.3° | 119.2° |
| C28 | N29 | H59 | 105.2° | 120.0° |
| N27 | C28 | N36 | 125.2° | 121.7° |
| C28 | N27 | C26 | 117.3° | 120.6° |
| C28 | N36 | C37 | 116.8° | 121.0° |
| N27 | C26 | C21 | 115.5° | 120.5° |
| N27 | C26 | C38 | 120.1° | 118.9° |
| N36 | C37 | C38 | 121.5° | 119.3° |
| N36 | C37 | H69 | 119.2° | 120.3° |
| C21 | C26 | C38 | 124.4° | 120.6° |
| C26 | C21 | C22 | 121.8° | 120.0° |
| C26 | C21 | C20 | 119.6° | 119.9° |
| C26 | C38 | C37 | 119.0° | 118.5° |
| C26 | C38 | CL39 | 121.4° | 120.7° |
| C37 | C38 | CL39 | 119.6° | 120.8° |
| C38 | C37 | H69 | 119.3° | 120.4° |
| C22 | C21 | C20 | 118.6° | 120.0° |
| C21 | C22 | C23 | 119.8° | 119.8° |
| C21 | C22 | H58 | 120.1° | 120.1° |
| C21 | C20 | C19 | 120.9° | 120.1° |
| C21 | C20 | H57 | 119.6° | 120.0° |
| C22 | C23 | C24 | 130.7° | 132.2° |
| C22 | C23 | C18 | 120.8° | 119.5° |
| C23 | C22 | H58 | 120.1° | 120.1° |
| O25 | C24 | C23 | 128.7° | 124.9° |
| O25 | C24 | N16 | 125.0° | 124.8° |
| C24 | C23 | C18 | 108.5° | 108.3° |
| C23 | C24 | N16 | 106.2° | 110.3° |
| C23 | C18 | C19 | 119.5° | 120.5° |
| C23 | C18 | C17 | 109.8° | 106.4° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C20 | C19 | H56 | 119.8° | 119.9° |
| C19 | C20 | H57 | 119.6° | 120.0° |
| C24 | N16 | C15 | 123.6° | 125.6° |
| C24 | N16 | C17 | 113.7° | 108.8° |
| C19 | C18 | C17 | 130.7° | 133.1° |
| C18 | C19 | H56 | 119.8° | 119.9° |
| C18 | C17 | N16 | 101.8° | 106.3° |
| C18 | C17 | H54 | 111.4° | 110.1° |
| C18 | C17 | H55 | 111.4° | 110.2° |
| C15 | N16 | C17 | 122.5° | 125.6° |
| N16 | C15 | C13 | 112.7° | 109.5° |
| N16 | C15 | H52 | 108.6° | 109.5° |
| N16 | C15 | H53 | 108.6° | 109.5° |
| N16 | C17 | H54 | 111.4° | 110.1° |
| N16 | C17 | H55 | 111.4° | 110.1° |
| C15 | C13 | N12 | 115.5° | 120.0° |
| C15 | C13 | O14 | 121.6° | 120.0° |
| C13 | C15 | H52 | 108.6° | 109.5° |
| C13 | C15 | H53 | 108.7° | 109.5° |
| O1 | C2 | C3 | 111.7° | 109.5° |
| O1 | C2 | H42 | 108.9° | 109.5° |
| O1 | C2 | H41 | 108.9° | 109.5° |
| C2 | O1 | H40 | 109.5° | 114.0° |
| N12 | C13 | O14 | 122.9° | 120.0° |
| C13 | N12 | C3 | 124.8° | 120.0° |
| C13 | N12 | H51 | 117.6° | 120.0° |
| N12 | C3 | C2 | 108.1° | 110.3° |
| N12 | C3 | C11 | 111.6° | 110.3° |
| N12 | C3 | C4 | 118.3° | 110.4° |
| C3 | N12 | H51 | 117.6° | 120.1° |
| C2 | C3 | C11 | 105.4° | 110.3° |
| C2 | C3 | C4 | 112.1° | 110.3° |
| C3 | C2 | H42 | 108.9° | 109.5° |
| C3 | C2 | H41 | 108.9° | 109.5° |
| C9 | C10 | C11 | 120.3° | 120.2° |
| C10 | C9 | C8 | 119.9° | 119.9° |
| C9 | C10 | H50 | 119.9° | 119.9° |
| C10 | C9 | H49 | 120.1° | 120.0° |
| C10 | C11 | C3 | 130.4° | 130.4° |
| C10 | C11 | C6 | 119.9° | 119.9° |
| C11 | C10 | H50 | 119.9° | 119.9° |
| C11 | C3 | C4 | 100.5° | 105.2° |
| C3 | C11 | C6 | 109.7° | 109.7° |
| C3 | C4 | C5 | 103.8° | 102.4° |
| C3 | C4 | H44 | 110.9° | 110.8° |
| C3 | C4 | H43 | 110.8° | 110.8° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C9 | C8 | H48 | 120.1° | 120.1° |
| C8 | C9 | H49 | 120.1° | 120.1° |
| C11 | C6 | C5 | 109.1° | 109.8° |
| C11 | C6 | C7 | 119.8° | 119.8° |
| C4 | C5 | C6 | 102.9° | 105.2° |
| C4 | C5 | H46 | 111.1° | 110.3° |
| C4 | C5 | H45 | 111.1° | 110.4° |
| C5 | C4 | H44 | 110.9° | 110.8° |
| C5 | C4 | H43 | 110.9° | 110.8° |
| C8 | C7 | C6 | 120.2° | 120.2° |
| C8 | C7 | H47 | 119.9° | 119.9° |
| C7 | C8 | H48 | 120.0° | 120.0° |
| C5 | C6 | C7 | 131.0° | 130.3° |
| C6 | C5 | H46 | 111.1° | 110.3° |
| C6 | C5 | H45 | 111.1° | 110.3° |
| C6 | C7 | H47 | 119.9° | 120.0° |
| H42 | C2 | H41 | 109.4° | 109.4° |
| H46 | C5 | H45 | 109.5° | 110.3° |
| H52 | C15 | H53 | 109.5° | 109.4° |
| H61 | C31 | H62 | 109.5° | 109.5° |
| H67 | C35 | H68 | 109.5° | 109.5° |
| H44 | C4 | H43 | 109.5° | 110.9° |
| H54 | C17 | H55 | 109.5° | 110.1° |
| H63 | C32 | H64 | 109.5° | 109.5° |
| H66 | C34 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C34 | C35 | H66 | 120.2° | 120.0° |
| O33 | C34 | C35 | H65 | 120.3° | 120.0° |
| O33 | C34 | C35 | C30 | 56.1° | 57.6° |
| C34 | O33 | C32 | C31 | 62.5° | 61.1° |
| O33 | C34 | C35 | H67 | 176.4° | 62.3° |
| O33 | C34 | C35 | H68 | 64.3° | 177.5° |
| C34 | O33 | C32 | H63 | 177.2° | 58.8° |
| C34 | O33 | C32 | H64 | 57.8° | 178.9° |
| O33 | C34 | H66 | H65 | 119.3° | 120.0° |
| C32 | O33 | C34 | C35 | 62.2° | 61.2° |
| O33 | C32 | C31 | H63 | 120.3° | 120.0° |
| O33 | C32 | C31 | H64 | 120.3° | 120.0° |
| O33 | C32 | C31 | C30 | 56.3° | 57.6° |
| O33 | C32 | C31 | H61 | 63.9° | 177.6° |
| O33 | C32 | C31 | H62 | 176.5° | 62.3° |
| O33 | C32 | H63 | H64 | 119.1° | 120.1° |
| C32 | O33 | C34 | H66 | 58.1° | 178.8° |
| C32 | O33 | C34 | H65 | 177.6° | 58.8° |
| C34 | C35 | C30 | H67 | 120.3° | 120.0° |
| C34 | C35 | C30 | H68 | 120.3° | 120.0° |
| C34 | C35 | C30 | C31 | 49.3° | 57.0° |
| C34 | C35 | C30 | N29 | 172.2° | 176.9° |
| C34 | C35 | H67 | H68 | 119.0° | 120.2° |
| C34 | C35 | C30 | H60 | 68.6° | 62.8° |
| C35 | C34 | H66 | H65 | 119.2° | 120.0° |
| C35 | C30 | C31 | C32 | 49.2° | 56.9° |
| C35 | C30 | C31 | N29 | 122.9° | 119.9° |
| C35 | C30 | C31 | H60 | 117.8° | 119.8° |
| C35 | C30 | N29 | H60 | 118.5° | 120.2° |
| C35 | C30 | N29 | C28 | 88.6° | 85.5° |
| C35 | C30 | C31 | H61 | 71.0° | 176.9° |
| C35 | C30 | C31 | H62 | 169.4° | 63.0° |
| C30 | C35 | H67 | H68 | 119.1° | 120.0° |
| C35 | C30 | N29 | H59 | 33.6° | 94.6° |
| C30 | C35 | C34 | H66 | 64.2° | 177.6° |
| C30 | C35 | C34 | H65 | 176.3° | 62.3° |
| C32 | C31 | C30 | H61 | 120.2° | 120.0° |
| C32 | C31 | C30 | H62 | 120.2° | 119.9° |
| C32 | C31 | C30 | N29 | 172.0° | 176.8° |
| C32 | C31 | H61 | H62 | 119.3° | 120.1° |
| C32 | C31 | C30 | H60 | 68.7° | 62.9° |
| C31 | C32 | H63 | H64 | 119.1° | 120.0° |
| C31 | C30 | N29 | H60 | 118.8° | 120.2° |
| C31 | C30 | N29 | C28 | 148.7° | 155.0° |
| C30 | C31 | H61 | H62 | 119.3° | 120.1° |
| C31 | C30 | C35 | H67 | 169.6° | 63.0° |
| C31 | C30 | C35 | H68 | 71.0° | 176.9° |
| C31 | C30 | N29 | H59 | 89.1° | 25.0° |
| C30 | C31 | C32 | H63 | 176.6° | 62.4° |
| C30 | C31 | C32 | H64 | 64.0° | 177.6° |
| C30 | N29 | C28 | H59 | 122.2° | 180.0° |
| C30 | N29 | C28 | N27 | 1.3° | 180.0° |
| C30 | N29 | C28 | N36 | 178.8° | 0.0° |
| N29 | C30 | C31 | H61 | 51.8° | 63.2° |
| N29 | C30 | C31 | H62 | 67.7° | 56.9° |
| N29 | C30 | C35 | H67 | 67.5° | 56.9° |
| N29 | C30 | C35 | H68 | 51.9° | 63.2° |
| N29 | C28 | N27 | N36 | 179.9° | 180.0° |
| N29 | C28 | N27 | C26 | 179.4° | 180.0° |
| N29 | C28 | N36 | C37 | 179.9° | 179.7° |
| C28 | N29 | C30 | H60 | 29.9° | 34.8° |
| N27 | C28 | N36 | C37 | 0.2° | 0.3° |
| C28 | N27 | C26 | C21 | 178.4° | 180.0° |
| C28 | N27 | C26 | C38 | 0.6° | 0.2° |
| N27 | C28 | N29 | H59 | 123.5° | 0.0° |
| N36 | C28 | N27 | C26 | 0.8° | 0.0° |
| C28 | N36 | C37 | C38 | 0.5° | 0.3° |
| C28 | N36 | C37 | H69 | 179.5° | 179.7° |
| N36 | C28 | N29 | H59 | 56.6° | 180.0° |
| N27 | C26 | C21 | C38 | 177.7° | 179.8° |
| N27 | C26 | C38 | C37 | 0.0° | 0.2° |
| N27 | C26 | C21 | C22 | 138.1° | 35.3° |
| N27 | C26 | C21 | C20 | 44.3° | 144.5° |
| N27 | C26 | C38 | CL39 | 179.1° | 179.8° |
| N36 | C37 | C38 | C26 | 0.6° | 0.0° |
| N36 | C37 | C38 | H69 | 180.0° | 180.0° |
| N36 | C37 | C38 | CL39 | 179.7° | 180.0° |
| C21 | C26 | C38 | C37 | 177.6° | 180.0° |
| C26 | C21 | C22 | C20 | 177.6° | 179.8° |
| C26 | C21 | C22 | C23 | 179.3° | 180.0° |
| C21 | C26 | C38 | CL39 | 1.5° | 0.0° |
| C26 | C21 | C20 | C19 | 178.8° | 179.8° |
| C26 | C21 | C22 | H58 | 0.7° | 0.3° |
| C26 | C21 | C20 | H57 | 1.2° | 0.3° |
| C26 | C38 | C37 | CL39 | 179.1° | 180.0° |
| C38 | C26 | C21 | C22 | 44.2° | 145.0° |
| C38 | C26 | C21 | C20 | 133.4° | 35.3° |
| C26 | C38 | C37 | H69 | 179.4° | 180.0° |
| C21 | C22 | C23 | H58 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 179.4° | 180.0° |
| C21 | C22 | C23 | C18 | 1.7° | 0.2° |
| C22 | C21 | C20 | C19 | 1.1° | 0.0° |
| C22 | C21 | C20 | H57 | 178.8° | 180.0° |
| C20 | C21 | C22 | C23 | 1.7° | 0.2° |
| C21 | C20 | C19 | H57 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.6° | 0.3° |
| C21 | C20 | C19 | H56 | 179.4° | 180.0° |
| C20 | C21 | C22 | H58 | 178.3° | 179.9° |
| C22 | C23 | C24 | O25 | 0.7° | 0.1° |
| C22 | C23 | C24 | C18 | 179.0° | 179.8° |
| C22 | C23 | C24 | N16 | 179.5° | 180.0° |
| C22 | C23 | C18 | C19 | 1.1° | 0.0° |
| C22 | C23 | C18 | C17 | 179.9° | 180.0° |
| CL39 | C38 | C37 | H69 | 0.3° | 0.0° |
| O25 | C24 | C23 | N16 | 179.8° | 179.9° |
| O25 | C24 | C23 | C18 | 179.7° | 179.9° |
| O25 | C24 | N16 | C15 | 5.3° | 0.1° |
| O25 | C24 | N16 | C17 | 179.7° | 179.9° |
| C24 | C23 | C18 | C19 | 179.8° | 179.8° |
| C24 | C23 | C18 | C17 | 1.0° | 0.2° |
| C23 | C24 | N16 | C15 | 174.5° | 180.0° |
| C23 | C24 | N16 | C17 | 0.1° | 0.2° |
| C24 | C23 | C22 | H58 | 0.6° | 0.3° |
| C23 | C18 | C19 | C20 | 0.5° | 0.3° |
| C18 | C23 | C24 | N16 | 0.6° | 0.2° |
| C23 | C18 | C19 | C17 | 178.5° | 180.0° |
| C23 | C18 | C17 | N16 | 1.0° | 0.1° |
| C23 | C18 | C19 | H56 | 179.5° | 180.0° |
| C18 | C23 | C22 | H58 | 178.3° | 179.9° |
| C23 | C18 | C17 | H54 | 119.7° | 119.1° |
| C23 | C18 | C17 | H55 | 117.8° | 119.3° |
| C20 | C19 | C18 | H56 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 179.1° | 179.7° |
| C24 | N16 | C17 | C18 | 0.6° | 0.0° |
| C24 | N16 | C15 | C17 | 173.9° | 179.8° |
| C24 | N16 | C15 | C13 | 92.4° | 90.0° |
| C24 | N16 | C15 | H52 | 147.1° | 30.0° |
| C24 | N16 | C15 | H53 | 28.1° | 150.0° |
| C24 | N16 | C17 | H54 | 119.4° | 119.2° |
| C24 | N16 | C17 | H55 | 118.1° | 119.2° |
| C19 | C18 | C17 | N16 | 179.6° | 179.9° |
| C19 | C18 | C17 | H54 | 61.6° | 60.9° |
| C19 | C18 | C17 | H55 | 60.9° | 60.7° |
| C18 | C19 | C20 | H57 | 179.4° | 179.7° |
| C18 | C17 | N16 | C15 | 175.1° | 179.9° |
| C18 | C17 | N16 | H54 | 118.8° | 119.2° |
| C18 | C17 | N16 | H55 | 118.8° | 119.3° |
| C17 | C18 | C19 | H56 | 0.9° | 0.0° |
| C18 | C17 | H54 | H55 | 123.6° | 121.7° |
| N16 | C15 | C13 | H52 | 120.5° | 120.1° |
| N16 | C15 | C13 | H53 | 120.5° | 120.0° |
| N16 | C15 | C13 | N12 | 153.7° | 179.9° |
| N16 | C15 | C13 | O14 | 26.2° | 0.0° |
| N16 | C15 | H52 | H53 | 118.5° | 120.0° |
| C15 | N16 | C17 | H54 | 66.1° | 61.0° |
| C15 | N16 | C17 | H55 | 56.4° | 60.6° |
| C17 | N16 | C15 | C13 | 93.6° | 89.8° |
| C17 | N16 | C15 | H52 | 26.8° | 150.2° |
| C17 | N16 | C15 | H53 | 145.9° | 30.2° |
| N16 | C17 | H54 | H55 | 123.6° | 121.5° |
| C15 | C13 | N12 | O14 | 179.9° | 180.0° |
| C15 | C13 | N12 | C3 | 169.1° | 174.8° |
| C13 | C15 | H52 | H53 | 118.5° | 119.9° |
| C15 | C13 | N12 | H51 | 10.9° | 5.3° |
| O1 | C2 | C3 | N12 | 54.6° | 56.7° |
| O1 | C2 | C3 | H42 | 120.4° | 120.0° |
| O1 | C2 | C3 | H41 | 120.4° | 120.1° |
| O1 | C2 | C3 | C11 | 64.9° | 65.3° |
| O1 | C2 | C3 | C4 | 173.3° | 178.9° |
| O1 | C2 | H42 | H41 | 119.0° | 120.0° |
| C13 | N12 | C3 | H51 | 180.0° | 179.9° |
| C13 | N12 | C3 | C2 | 92.1° | 65.1° |
| C13 | N12 | C3 | C11 | 152.5° | 172.8° |
| C13 | N12 | C3 | C4 | 36.6° | 57.0° |
| N12 | C13 | C15 | H52 | 33.2° | 60.0° |
| N12 | C13 | C15 | H53 | 85.8° | 59.9° |
| O14 | C13 | N12 | C3 | 11.0° | 5.2° |
| O14 | C13 | C15 | H52 | 146.7° | 120.0° |
| O14 | C13 | C15 | H53 | 94.3° | 120.1° |
| O14 | C13 | N12 | H51 | 169.0° | 174.7° |
| N12 | C3 | C2 | C11 | 119.5° | 122.0° |
| N12 | C3 | C2 | C4 | 132.1° | 122.2° |
| N12 | C3 | C11 | C10 | 31.4° | 43.8° |
| N12 | C3 | C11 | C4 | 126.3° | 119.0° |
| N12 | C3 | C11 | C6 | 147.8° | 136.2° |
| N12 | C3 | C4 | C5 | 156.7° | 145.3° |
| N12 | C3 | C2 | H42 | 175.0° | 63.3° |
| N12 | C3 | C2 | H41 | 65.7° | 176.8° |
| N12 | C3 | C4 | H44 | 84.1° | 96.5° |
| N12 | C3 | C4 | H43 | 37.7° | 27.1° |
| C2 | C3 | C11 | C10 | 85.8° | 78.2° |
| C2 | C3 | C11 | C4 | 116.6° | 118.9° |
| C2 | C3 | C11 | C6 | 95.0° | 101.8° |
| C2 | C3 | C4 | C5 | 76.4° | 92.6° |
| C3 | C2 | H42 | H41 | 118.9° | 120.0° |
| C3 | C2 | O1 | H40 | 180.0° | 179.9° |
| C2 | C3 | C4 | H44 | 42.7° | 25.7° |
| C2 | C3 | C4 | H43 | 164.5° | 149.2° |
| C2 | C3 | N12 | H51 | 88.0° | 114.8° |
| C9 | C10 | C11 | H50 | 180.0° | 179.9° |
| C9 | C10 | C11 | C3 | 179.8° | 180.0° |
| C10 | C9 | C8 | H49 | 180.0° | 179.9° |
| C9 | C10 | C11 | C6 | 0.7° | 0.1° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H48 | 179.8° | 180.0° |
| C10 | C11 | C3 | C6 | 179.2° | 180.0° |
| C10 | C11 | C3 | C4 | 157.6° | 162.9° |
| C11 | C10 | C9 | C8 | 0.8° | 0.1° |
| C10 | C11 | C6 | C5 | 179.6° | 179.9° |
| C10 | C11 | C6 | C7 | 0.4° | 0.1° |
| C11 | C10 | C9 | H49 | 179.2° | 180.0° |
| C11 | C3 | C4 | C5 | 35.0° | 26.3° |
| C3 | C11 | C6 | C5 | 0.4° | 0.0° |
| C3 | C11 | C6 | C7 | 178.9° | 180.0° |
| C11 | C3 | C2 | H42 | 55.5° | 174.7° |
| C11 | C3 | C2 | H41 | 174.8° | 54.7° |
| C3 | C11 | C10 | H50 | 0.2° | 0.0° |
| C11 | C3 | C4 | H44 | 154.2° | 144.6° |
| C11 | C3 | C4 | H43 | 84.0° | 91.9° |
| C11 | C3 | N12 | H51 | 27.5° | 7.2° |
| C4 | C3 | C11 | C6 | 21.5° | 17.2° |
| C3 | C4 | C5 | H44 | 119.1° | 118.2° |
| C3 | C4 | C5 | H43 | 119.0° | 118.2° |
| C3 | C4 | C5 | C6 | 35.9° | 26.3° |
| C4 | C3 | C2 | H42 | 52.9° | 58.9° |
| C4 | C3 | C2 | H41 | 66.4° | 61.0° |
| C3 | C4 | C5 | H46 | 83.0° | 145.2° |
| C3 | C4 | C5 | H45 | 154.9° | 92.6° |
| C3 | C4 | H44 | H43 | 122.6° | 123.5° |
| C4 | C3 | N12 | H51 | 143.4° | 123.0° |
| C9 | C8 | C7 | H48 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.3° | 0.1° |
| C9 | C8 | C7 | H47 | 178.7° | 180.0° |
| C8 | C9 | C10 | H50 | 179.2° | 180.0° |
| C11 | C6 | C5 | C4 | 23.1° | 17.2° |
| C11 | C6 | C7 | C8 | 1.4° | 0.1° |
| C11 | C6 | C5 | C7 | 179.1° | 180.0° |
| C11 | C6 | C5 | H46 | 95.8° | 136.1° |
| C11 | C6 | C5 | H45 | 142.1° | 101.8° |
| C11 | C6 | C7 | H47 | 178.6° | 180.0° |
| C6 | C11 | C10 | H50 | 179.3° | 180.0° |
| C4 | C5 | C6 | H46 | 119.0° | 118.9° |
| C4 | C5 | C6 | H45 | 119.0° | 119.0° |
| C4 | C5 | C6 | C7 | 156.0° | 162.8° |
| C4 | C5 | H46 | H45 | 123.1° | 122.2° |
| C5 | C4 | H44 | H43 | 122.6° | 123.6° |
| C8 | C7 | C6 | C5 | 179.6° | 180.0° |
| C8 | C7 | C6 | H47 | 180.0° | 179.9° |
| C7 | C8 | C9 | H49 | 179.8° | 180.0° |
| C6 | C5 | H46 | H45 | 123.0° | 122.1° |
| C5 | C6 | C7 | H47 | 0.4° | 0.1° |
| C6 | C5 | C4 | H44 | 155.1° | 144.6° |
| C6 | C5 | C4 | H43 | 83.1° | 91.8° |
| C7 | C6 | C5 | H46 | 85.1° | 43.9° |
| C7 | C6 | C5 | H45 | 37.0° | 78.2° |
| C6 | C7 | C8 | H48 | 178.7° | 180.0° |
| H42 | C2 | O1 | H40 | 59.7° | 59.9° |
| H41 | C2 | O1 | H40 | 59.7° | 60.0° |
| H46 | C5 | C4 | H44 | 36.1° | 96.6° |
| H46 | C5 | C4 | H43 | 158.0° | 27.1° |
| H45 | C5 | C4 | H44 | 86.0° | 25.6° |
| H45 | C5 | C4 | H43 | 35.8° | 149.2° |
| H47 | C7 | C8 | H48 | 1.3° | 0.1° |
| H48 | C8 | C9 | H49 | 0.2° | 0.1° |
| H50 | C10 | C9 | H49 | 0.8° | 0.1° |
| H56 | C19 | C20 | H57 | 0.6° | 0.0° |
| H61 | C31 | C30 | H60 | 171.1° | 57.1° |
| H61 | C31 | C32 | H63 | 56.4° | 57.5° |
| H61 | C31 | C32 | H64 | 175.8° | 62.4° |
| H62 | C31 | C30 | H60 | 51.6° | 177.2° |
| H62 | C31 | C32 | H63 | 63.2° | 177.7° |
| H62 | C31 | C32 | H64 | 56.2° | 57.7° |
| H67 | C35 | C30 | H60 | 51.7° | 177.2° |
| H67 | C35 | C34 | H66 | 56.1° | 57.7° |
| H67 | C35 | C34 | H65 | 63.4° | 177.7° |
| H68 | C35 | C30 | H60 | 171.1° | 57.1° |
| H68 | C35 | C34 | H66 | 175.5° | 62.5° |
| H68 | C35 | C34 | H65 | 56.0° | 57.5° |
| H59 | N29 | C30 | H60 | 152.1° | 145.2° |
