A1BV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | N6 | sing | 1.47Å | 1.48Å | |
| C5 | C21 | sing | 1.51Å | 1.51Å | |
| N6 | C7 | sing | 1.47Å | 1.47Å | |
| N6 | C8 | sing | 1.35Å | 1.35Å | |
| C8 | O9 | doub | 1.21Å | 1.21Å | |
| C8 | C10 | sing | 1.49Å | 1.49Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.35Å | |
| N12 | C13 | sing | 1.40Å | 1.41Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.32Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.39Å | |
| C16 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C29 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | S25 | sing | 1.76Å | 1.76Å | Aromatic |
| C24 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| S25 | C26 | sing | 1.71Å | 1.70Å | Aromatic |
| C26 | N27 | doub | 1.28Å | 1.28Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.51Å | |
| N27 | C28 | sing | 1.35Å | 1.35Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C36 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.47Å | 1.47Å | |
| N33 | C34 | sing | 1.47Å | 1.47Å | |
| N33 | C35 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| C20 | H55 | sing | 1.08Å | 1.08Å | |
| C22 | H56 | sing | 1.08Å | 1.08Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| C19 | H53 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.08Å | 1.08Å | |
| C29 | H58 | sing | 1.08Å | 1.08Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| N17 | H50 | sing | 0.97Å | 1.00Å | |
| N17 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.6° | 109.5° |
| C1 | C2 | C7 | 110.3° | 109.5° |
| C2 | C1 | H38 | 109.5° | 109.5° |
| C2 | C1 | H37 | 109.4° | 109.4° |
| C2 | C1 | H39 | 109.4° | 109.5° |
| C1 | C2 | H40 | 109.0° | 109.5° |
| C3 | C2 | C7 | 108.7° | 109.3° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C3 | C2 | H40 | 109.0° | 109.6° |
| C2 | C3 | H42 | 108.9° | 109.5° |
| C2 | C3 | H41 | 108.9° | 109.5° |
| C2 | C7 | N6 | 109.3° | 108.7° |
| C2 | C7 | H46 | 109.5° | 109.6° |
| C2 | C7 | H47 | 109.5° | 109.6° |
| C7 | C2 | H40 | 109.1° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.3° |
| C3 | C4 | H44 | 108.8° | 109.5° |
| C3 | C4 | H43 | 108.7° | 109.5° |
| C4 | C3 | H42 | 109.0° | 109.5° |
| C4 | C3 | H41 | 109.0° | 109.4° |
| C4 | C5 | N6 | 110.7° | 108.8° |
| C4 | C5 | C21 | 112.3° | 109.6° |
| C5 | C4 | H44 | 108.7° | 109.5° |
| C5 | C4 | H43 | 108.8° | 109.5° |
| C4 | C5 | H45 | 107.5° | 109.6° |
| N6 | C5 | C21 | 110.2° | 109.6° |
| C5 | N6 | C7 | 119.8° | 118.7° |
| C5 | N6 | C8 | 120.2° | 120.7° |
| N6 | C5 | H45 | 108.2° | 109.6° |
| C5 | C21 | C22 | 118.3° | 119.6° |
| C5 | C21 | C29 | 121.2° | 119.6° |
| C21 | C5 | H45 | 107.8° | 109.7° |
| C7 | N6 | C8 | 119.9° | 120.6° |
| N6 | C7 | H46 | 109.5° | 109.6° |
| N6 | C7 | H47 | 109.5° | 109.7° |
| N6 | C8 | O9 | 119.8° | 120.0° |
| N6 | C8 | C10 | 120.2° | 120.0° |
| O9 | C8 | C10 | 119.9° | 120.0° |
| C8 | C10 | O11 | 119.7° | 120.1° |
| C8 | C10 | N12 | 117.6° | 120.0° |
| O11 | C10 | N12 | 122.7° | 119.9° |
| C10 | N12 | C13 | 126.1° | 120.0° |
| C10 | N12 | H48 | 117.0° | 120.0° |
| N12 | C13 | C14 | 123.0° | 120.4° |
| N12 | C13 | C20 | 118.6° | 120.5° |
| C13 | N12 | H48 | 116.9° | 120.0° |
| C14 | C13 | C20 | 118.4° | 119.2° |
| C13 | C14 | N15 | 121.0° | 120.8° |
| C13 | C14 | H49 | 119.5° | 119.6° |
| C13 | C20 | C18 | 119.1° | 118.4° |
| C13 | C20 | H55 | 120.5° | 120.8° |
| C14 | N15 | C16 | 122.0° | 121.7° |
| N15 | C14 | H49 | 119.5° | 119.6° |
| N15 | C16 | N17 | 119.5° | 119.6° |
| N15 | C16 | C18 | 120.5° | 120.8° |
| N17 | C16 | C18 | 120.0° | 119.6° |
| C16 | N17 | H50 | 109.5° | 120.0° |
| C16 | N17 | H51 | 109.4° | 120.0° |
| C16 | C18 | C19 | 120.5° | 120.4° |
| C16 | C18 | C20 | 119.0° | 119.2° |
| C19 | C18 | C20 | 120.5° | 120.4° |
| C18 | C19 | H53 | 109.5° | 109.5° |
| C18 | C19 | H54 | 109.5° | 109.5° |
| C18 | C19 | H52 | 109.4° | 109.5° |
| C18 | C20 | H55 | 120.4° | 120.8° |
| C22 | C21 | C29 | 120.5° | 120.7° |
| C21 | C22 | C23 | 120.5° | 120.1° |
| C21 | C22 | H56 | 119.7° | 119.9° |
| C21 | C29 | C28 | 120.4° | 120.4° |
| C21 | C29 | H58 | 119.8° | 119.8° |
| C22 | C23 | C24 | 119.7° | 119.9° |
| C23 | C22 | H56 | 119.7° | 120.0° |
| C22 | C23 | H57 | 120.1° | 120.0° |
| C23 | C24 | S25 | 131.1° | 131.7° |
| C23 | C24 | C28 | 120.6° | 120.3° |
| C24 | C23 | H57 | 120.1° | 120.1° |
| S25 | C24 | C28 | 108.3° | 108.0° |
| C24 | S25 | C26 | 90.8° | 90.8° |
| C24 | C28 | N27 | 111.5° | 111.8° |
| C24 | C28 | C29 | 118.2° | 118.5° |
| S25 | C26 | N27 | 111.7° | 111.5° |
| S25 | C26 | C30 | 122.8° | 124.3° |
| N27 | C26 | C30 | 125.5° | 124.2° |
| C26 | N27 | C28 | 117.8° | 117.8° |
| C26 | C30 | C31 | 109.9° | 109.6° |
| C26 | C30 | C36 | 111.7° | 109.6° |
| C26 | C30 | H59 | 109.2° | 109.5° |
| N27 | C28 | C29 | 130.3° | 129.7° |
| C28 | C29 | H58 | 119.8° | 119.8° |
| C31 | C30 | C36 | 108.1° | 109.1° |
| C30 | C31 | C32 | 108.0° | 109.3° |
| C31 | C30 | H59 | 108.9° | 109.5° |
| C30 | C31 | H60 | 109.8° | 109.5° |
| C30 | C31 | H61 | 109.8° | 109.5° |
| C30 | C36 | C35 | 107.7° | 109.3° |
| C36 | C30 | H59 | 109.0° | 109.5° |
| C30 | C36 | H69 | 109.9° | 109.5° |
| C30 | C36 | H70 | 109.9° | 109.4° |
| C31 | C32 | N33 | 110.1° | 109.5° |
| C32 | C31 | H60 | 109.9° | 109.6° |
| C32 | C31 | H61 | 109.9° | 109.5° |
| C31 | C32 | H63 | 109.3° | 109.5° |
| C31 | C32 | H62 | 109.3° | 109.5° |
| C32 | N33 | C34 | 110.2° | 111.0° |
| C32 | N33 | C35 | 112.5° | 111.1° |
| N33 | C32 | H63 | 109.3° | 109.4° |
| N33 | C32 | H62 | 109.3° | 109.5° |
| C34 | N33 | C35 | 110.6° | 111.0° |
| N33 | C34 | H64 | 109.5° | 109.5° |
| N33 | C34 | H66 | 109.5° | 109.5° |
| N33 | C34 | H65 | 109.5° | 109.5° |
| N33 | C35 | C36 | 110.2° | 109.5° |
| N33 | C35 | H67 | 109.3° | 109.5° |
| N33 | C35 | H68 | 109.3° | 109.4° |
| C36 | C35 | H67 | 109.3° | 109.5° |
| C36 | C35 | H68 | 109.3° | 109.4° |
| C35 | C36 | H69 | 109.9° | 109.5° |
| C35 | C36 | H70 | 109.9° | 109.5° |
| H44 | C4 | H43 | 109.5° | 109.5° |
| H46 | C7 | H47 | 109.4° | 109.6° |
| H38 | C1 | H37 | 109.5° | 109.5° |
| H38 | C1 | H39 | 109.5° | 109.5° |
| H37 | C1 | H39 | 109.5° | 109.5° |
| H53 | C19 | H54 | 109.5° | 109.5° |
| H53 | C19 | H52 | 109.5° | 109.5° |
| H54 | C19 | H52 | 109.5° | 109.4° |
| H42 | C3 | H41 | 109.5° | 109.4° |
| H60 | C31 | H61 | 109.4° | 109.5° |
| H63 | C32 | H62 | 109.5° | 109.4° |
| H64 | C34 | H66 | 109.5° | 109.5° |
| H64 | C34 | H65 | 109.5° | 109.5° |
| H66 | C34 | H65 | 109.5° | 109.5° |
| H67 | C35 | H68 | 109.4° | 109.5° |
| H69 | C36 | H70 | 109.5° | 109.6° |
| H50 | N17 | H51 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 121.3° | 119.9° |
| C1 | C2 | C3 | H40 | 119.9° | 120.1° |
| C1 | C2 | C7 | H40 | 119.8° | 120.1° |
| C1 | C2 | C3 | C4 | 61.3° | 178.7° |
| C1 | C2 | C7 | N6 | 64.6° | 174.6° |
| C1 | C2 | C7 | H46 | 55.4° | 54.8° |
| C1 | C2 | C7 | H47 | 175.4° | 65.5° |
| C2 | C1 | H38 | H37 | 120.0° | 119.9° |
| C2 | C1 | H38 | H39 | 120.0° | 120.0° |
| C2 | C1 | H37 | H39 | 119.9° | 120.0° |
| C1 | C2 | C3 | H42 | 178.3° | 61.2° |
| C1 | C2 | C3 | H41 | 59.0° | 58.7° |
| C3 | C2 | C7 | H40 | 118.8° | 120.0° |
| C2 | C3 | C4 | H42 | 120.3° | 120.1° |
| C2 | C3 | C4 | H41 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 54.0° | 61.4° |
| C3 | C2 | C7 | N6 | 56.8° | 54.7° |
| C2 | C3 | C4 | H44 | 174.4° | 178.6° |
| C2 | C3 | C4 | H43 | 66.4° | 58.6° |
| C3 | C2 | C7 | H46 | 176.8° | 65.1° |
| C3 | C2 | C7 | H47 | 63.2° | 174.6° |
| C3 | C2 | C1 | H38 | 180.0° | 60.1° |
| C3 | C2 | C1 | H37 | 60.0° | 180.0° |
| C3 | C2 | C1 | H39 | 60.0° | 60.0° |
| C2 | C3 | H42 | H41 | 119.0° | 120.0° |
| C7 | C2 | C3 | C4 | 59.9° | 61.4° |
| C2 | C7 | N6 | C5 | 53.3° | 53.7° |
| C2 | C7 | N6 | H46 | 120.0° | 119.8° |
| C2 | C7 | N6 | H47 | 120.0° | 119.8° |
| C2 | C7 | N6 | C8 | 126.9° | 126.4° |
| C2 | C7 | H46 | H47 | 120.0° | 120.3° |
| C7 | C2 | C1 | H38 | 59.7° | 179.9° |
| C7 | C2 | C1 | H37 | 60.3° | 60.2° |
| C7 | C2 | C1 | H39 | 179.7° | 59.8° |
| C7 | C2 | C3 | H42 | 60.4° | 58.7° |
| C7 | C2 | C3 | H41 | 179.8° | 178.6° |
| C3 | C4 | C5 | H44 | 120.4° | 119.9° |
| C3 | C4 | C5 | H43 | 120.4° | 120.0° |
| C3 | C4 | C5 | N6 | 44.4° | 54.7° |
| C3 | C4 | C5 | C21 | 79.2° | 174.4° |
| C3 | C4 | H44 | H43 | 118.7° | 120.1° |
| C3 | C4 | C5 | H45 | 162.4° | 65.1° |
| C4 | C3 | C2 | H40 | 178.8° | 58.6° |
| C4 | C3 | H42 | H41 | 119.1° | 119.9° |
| C4 | C5 | N6 | C21 | 124.8° | 119.7° |
| C4 | C5 | N6 | H45 | 117.6° | 119.8° |
| C4 | C5 | C21 | H45 | 118.2° | 120.4° |
| C4 | C5 | N6 | C7 | 46.4° | 53.7° |
| C4 | C5 | N6 | C8 | 133.8° | 126.4° |
| C4 | C5 | C21 | C22 | 153.8° | 59.4° |
| C4 | C5 | C21 | C29 | 27.1° | 120.4° |
| C5 | C4 | H44 | H43 | 118.7° | 120.1° |
| C5 | C4 | C3 | H42 | 66.3° | 58.7° |
| C5 | C4 | C3 | H41 | 174.3° | 178.6° |
| N6 | C5 | C21 | H45 | 117.9° | 120.4° |
| C5 | N6 | C7 | C8 | 179.8° | 180.0° |
| C5 | N6 | C8 | O9 | 179.9° | 6.7° |
| C5 | N6 | C8 | C10 | 0.3° | 173.3° |
| N6 | C5 | C21 | C22 | 29.9° | 59.9° |
| N6 | C5 | C21 | C29 | 151.0° | 120.4° |
| N6 | C5 | C4 | H44 | 164.8° | 174.6° |
| N6 | C5 | C4 | H43 | 76.0° | 65.3° |
| C5 | N6 | C7 | H46 | 173.3° | 66.2° |
| C5 | N6 | C7 | H47 | 66.7° | 173.5° |
| C21 | C5 | N6 | C7 | 78.4° | 173.4° |
| C21 | C5 | N6 | C8 | 101.4° | 6.6° |
| C5 | C21 | C22 | C29 | 179.1° | 179.7° |
| C5 | C21 | C22 | C23 | 179.8° | 180.0° |
| C5 | C21 | C29 | C28 | 179.6° | 179.9° |
| C21 | C5 | C4 | H44 | 41.2° | 65.7° |
| C21 | C5 | C4 | H43 | 160.4° | 54.4° |
| C5 | C21 | C22 | H56 | 0.2° | 0.0° |
| C5 | C21 | C29 | H58 | 0.4° | 0.0° |
| C7 | N6 | C8 | O9 | 0.2° | 173.2° |
| C7 | N6 | C8 | C10 | 179.8° | 6.8° |
| C7 | N6 | C5 | H45 | 163.9° | 66.2° |
| N6 | C7 | H46 | H47 | 120.1° | 120.4° |
| N6 | C7 | C2 | H40 | 175.6° | 65.3° |
| N6 | C8 | O9 | C10 | 179.6° | 180.0° |
| N6 | C8 | C10 | O11 | 73.0° | 7.4° |
| N6 | C8 | C10 | N12 | 106.4° | 172.6° |
| C8 | N6 | C5 | H45 | 16.2° | 113.8° |
| C8 | N6 | C7 | H46 | 6.9° | 113.8° |
| C8 | N6 | C7 | H47 | 113.1° | 6.5° |
| O9 | C8 | C10 | O11 | 107.4° | 172.6° |
| O9 | C8 | C10 | N12 | 73.2° | 7.4° |
| C8 | C10 | O11 | N12 | 179.4° | 179.9° |
| C8 | C10 | N12 | C13 | 179.8° | 175.1° |
| C8 | C10 | N12 | H48 | 0.2° | 5.0° |
| O11 | C10 | N12 | C13 | 0.4° | 4.8° |
| O11 | C10 | N12 | H48 | 179.6° | 175.1° |
| C10 | N12 | C13 | H48 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 29.7° | 147.5° |
| C10 | N12 | C13 | C20 | 150.8° | 32.8° |
| N12 | C13 | C14 | C20 | 179.6° | 179.7° |
| N12 | C13 | C14 | N15 | 180.0° | 180.0° |
| N12 | C13 | C20 | C18 | 179.9° | 180.0° |
| N12 | C13 | C20 | H55 | 0.0° | 0.1° |
| N12 | C13 | C14 | H49 | 0.0° | 0.0° |
| C13 | C14 | N15 | H49 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C20 | C18 | 0.5° | 0.3° |
| C14 | C13 | N12 | H48 | 150.4° | 32.7° |
| C14 | C13 | C20 | H55 | 179.6° | 179.8° |
| C20 | C13 | C14 | N15 | 0.4° | 0.3° |
| C13 | C20 | C18 | C16 | 0.3° | 0.0° |
| C13 | C20 | C18 | C19 | 179.8° | 179.6° |
| C13 | C20 | C18 | H55 | 180.0° | 179.9° |
| C20 | C13 | N12 | H48 | 29.2° | 147.0° |
| C20 | C13 | C14 | H49 | 179.6° | 179.7° |
| C14 | N15 | C16 | N17 | 179.9° | 179.6° |
| C14 | N15 | C16 | C18 | 0.0° | 0.4° |
| N15 | C16 | N17 | C18 | 179.9° | 180.0° |
| N15 | C16 | C18 | C19 | 180.0° | 180.0° |
| N15 | C16 | C18 | C20 | 0.0° | 0.3° |
| C16 | N15 | C14 | H49 | 179.8° | 179.9° |
| N15 | C16 | N17 | H50 | 0.0° | 180.0° |
| N15 | C16 | N17 | H51 | 120.0° | 0.1° |
| N17 | C16 | C18 | C19 | 0.1° | 0.0° |
| N17 | C16 | C18 | C20 | 179.9° | 179.7° |
| C16 | N17 | H50 | H51 | 120.0° | 179.9° |
| C16 | C18 | C19 | C20 | 179.9° | 179.7° |
| C16 | C18 | C20 | H55 | 179.8° | 179.9° |
| C16 | C18 | C19 | H53 | 90.0° | 90.0° |
| C16 | C18 | C19 | H54 | 150.0° | 150.0° |
| C16 | C18 | C19 | H52 | 30.0° | 30.0° |
| C18 | C16 | N17 | H50 | 179.9° | 0.0° |
| C18 | C16 | N17 | H51 | 60.1° | 179.9° |
| C19 | C18 | C20 | H55 | 0.2° | 0.3° |
| C18 | C19 | H53 | H54 | 120.0° | 120.0° |
| C18 | C19 | H53 | H52 | 120.0° | 120.0° |
| C18 | C19 | H54 | H52 | 120.0° | 120.0° |
| C20 | C18 | C19 | H53 | 90.0° | 89.7° |
| C20 | C18 | C19 | H54 | 30.0° | 30.4° |
| C20 | C18 | C19 | H52 | 150.0° | 150.3° |
| C21 | C22 | C23 | H56 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C22 | C21 | C29 | C28 | 0.6° | 0.3° |
| C22 | C21 | C5 | H45 | 88.0° | 179.7° |
| C21 | C22 | C23 | H57 | 179.6° | 180.0° |
| C22 | C21 | C29 | H58 | 179.5° | 179.7° |
| C29 | C21 | C22 | C23 | 0.7° | 0.3° |
| C21 | C29 | C28 | C24 | 0.2° | 0.1° |
| C21 | C29 | C28 | N27 | 179.8° | 179.9° |
| C21 | C29 | C28 | H58 | 180.0° | 179.9° |
| C29 | C21 | C5 | H45 | 91.1° | 0.0° |
| C29 | C21 | C22 | H56 | 179.3° | 179.7° |
| C22 | C23 | C24 | H57 | 180.0° | 179.9° |
| C22 | C23 | C24 | S25 | 179.9° | 179.9° |
| C22 | C23 | C24 | C28 | 0.1° | 0.2° |
| C23 | C24 | S25 | C28 | 180.0° | 179.7° |
| C23 | C24 | S25 | C26 | 180.0° | 179.7° |
| C23 | C24 | C28 | N27 | 180.0° | 179.7° |
| C23 | C24 | C28 | C29 | 0.0° | 0.2° |
| C24 | C23 | C22 | H56 | 179.6° | 180.0° |
| C24 | S25 | C26 | N27 | 0.0° | 0.0° |
| C24 | S25 | C26 | C30 | 179.9° | 180.0° |
| S25 | C24 | C28 | N27 | 0.0° | 0.1° |
| S25 | C24 | C28 | C29 | 180.0° | 179.9° |
| S25 | C24 | C23 | H57 | 0.1° | 0.1° |
| C28 | C24 | S25 | C26 | 0.0° | 0.0° |
| C24 | C28 | N27 | C26 | 0.0° | 0.1° |
| C24 | C28 | N27 | C29 | 180.0° | 179.8° |
| C28 | C24 | C23 | H57 | 179.9° | 179.8° |
| C24 | C28 | C29 | H58 | 179.8° | 179.9° |
| S25 | C26 | N27 | C30 | 179.9° | 180.0° |
| S25 | C26 | N27 | C28 | 0.0° | 0.1° |
| S25 | C26 | C30 | C31 | 92.5° | 60.0° |
| S25 | C26 | C30 | C36 | 147.6° | 59.7° |
| S25 | C26 | C30 | H59 | 27.0° | 179.9° |
| C26 | N27 | C28 | C29 | 180.0° | 179.9° |
| N27 | C26 | C30 | C31 | 87.4° | 120.0° |
| N27 | C26 | C30 | C36 | 32.5° | 120.3° |
| N27 | C26 | C30 | H59 | 153.1° | 0.1° |
| C30 | C26 | N27 | C28 | 179.9° | 179.9° |
| C26 | C30 | C31 | C36 | 122.1° | 119.9° |
| C26 | C30 | C31 | H59 | 119.6° | 120.1° |
| C26 | C30 | C36 | H59 | 120.7° | 120.2° |
| C26 | C30 | C31 | C32 | 175.5° | 177.6° |
| C26 | C30 | C36 | C35 | 176.6° | 177.6° |
| C26 | C30 | C31 | H60 | 64.7° | 57.6° |
| C26 | C30 | C31 | H61 | 55.7° | 62.5° |
| C26 | C30 | C36 | H69 | 56.9° | 62.5° |
| C26 | C30 | C36 | H70 | 63.6° | 57.6° |
| N27 | C28 | C29 | H58 | 0.2° | 0.1° |
| C31 | C30 | C36 | H59 | 118.2° | 119.9° |
| C30 | C31 | C32 | H60 | 119.8° | 120.0° |
| C30 | C31 | C32 | H61 | 119.8° | 119.9° |
| C30 | C31 | C32 | N33 | 59.4° | 59.2° |
| C31 | C30 | C36 | C35 | 62.3° | 57.6° |
| C30 | C31 | H60 | H61 | 120.6° | 120.0° |
| C30 | C31 | C32 | H63 | 179.5° | 179.2° |
| C30 | C31 | C32 | H62 | 60.6° | 60.9° |
| C31 | C30 | C36 | H69 | 178.0° | 177.6° |
| C31 | C30 | C36 | H70 | 57.4° | 62.3° |
| C36 | C30 | C31 | C32 | 62.4° | 57.6° |
| C30 | C36 | C35 | N33 | 59.6° | 59.2° |
| C30 | C36 | C35 | H69 | 119.7° | 120.0° |
| C30 | C36 | C35 | H70 | 119.7° | 119.8° |
| C36 | C30 | C31 | H60 | 57.4° | 62.4° |
| C36 | C30 | C31 | H61 | 177.8° | 177.5° |
| C30 | C36 | C35 | H67 | 179.7° | 60.9° |
| C30 | C36 | C35 | H68 | 60.5° | 179.1° |
| C30 | C36 | H69 | H70 | 120.8° | 120.0° |
| C31 | C32 | N33 | H63 | 120.1° | 120.0° |
| C31 | C32 | N33 | H62 | 120.1° | 120.1° |
| C31 | C32 | N33 | C34 | 178.1° | 174.1° |
| C31 | C32 | N33 | C35 | 58.0° | 61.8° |
| C32 | C31 | C30 | H59 | 55.9° | 62.3° |
| C32 | C31 | H60 | H61 | 120.7° | 120.1° |
| C31 | C32 | H63 | H62 | 119.7° | 120.1° |
| C32 | N33 | C34 | C35 | 125.0° | 124.1° |
| C32 | N33 | C35 | C36 | 58.2° | 61.8° |
| N33 | C32 | C31 | H60 | 60.4° | 60.7° |
| N33 | C32 | C31 | H61 | 179.2° | 179.1° |
| N33 | C32 | H63 | H62 | 119.7° | 120.0° |
| C32 | N33 | C34 | H64 | 180.0° | 60.0° |
| C32 | N33 | C34 | H66 | 60.0° | 180.0° |
| C32 | N33 | C34 | H65 | 60.0° | 60.0° |
| C32 | N33 | C35 | H67 | 178.3° | 58.3° |
| C32 | N33 | C35 | H68 | 61.9° | 178.2° |
| C34 | N33 | C35 | C36 | 178.1° | 174.1° |
| C34 | N33 | C32 | H63 | 58.0° | 54.2° |
| C34 | N33 | C32 | H62 | 61.8° | 65.8° |
| N33 | C34 | H64 | H66 | 120.0° | 120.0° |
| N33 | C34 | H64 | H65 | 120.0° | 120.0° |
| N33 | C34 | H66 | H65 | 120.0° | 120.0° |
| C34 | N33 | C35 | H67 | 58.0° | 65.8° |
| C34 | N33 | C35 | H68 | 61.8° | 54.2° |
| N33 | C35 | C36 | H67 | 120.1° | 120.1° |
| N33 | C35 | C36 | H68 | 120.1° | 119.9° |
| C35 | N33 | C32 | H63 | 178.1° | 178.2° |
| C35 | N33 | C32 | H62 | 62.1° | 58.3° |
| C35 | N33 | C34 | H64 | 55.0° | 64.2° |
| C35 | N33 | C34 | H66 | 175.0° | 55.8° |
| C35 | N33 | C34 | H65 | 65.0° | 175.8° |
| N33 | C35 | H67 | H68 | 119.7° | 119.9° |
| N33 | C35 | C36 | H69 | 179.3° | 179.2° |
| N33 | C35 | C36 | H70 | 60.1° | 60.7° |
| C35 | C36 | C30 | H59 | 55.9° | 62.3° |
| C36 | C35 | H67 | H68 | 119.6° | 120.0° |
| C35 | C36 | H69 | H70 | 120.8° | 120.1° |
| H44 | C4 | C5 | H45 | 77.2° | 54.8° |
| H44 | C4 | C3 | H42 | 54.1° | 61.3° |
| H44 | C4 | C3 | H41 | 65.3° | 58.7° |
| H43 | C4 | C5 | H45 | 42.0° | 174.9° |
| H43 | C4 | C3 | H42 | 173.3° | 178.7° |
| H43 | C4 | C3 | H41 | 53.9° | 61.4° |
| H46 | C7 | C2 | H40 | 64.4° | 174.9° |
| H47 | C7 | C2 | H40 | 55.6° | 54.5° |
| H56 | C22 | C23 | H57 | 0.5° | 0.1° |
| H38 | C1 | H37 | H39 | 120.0° | 120.1° |
| H38 | C1 | C2 | H40 | 60.1° | 60.1° |
| H37 | C1 | C2 | H40 | 179.9° | 59.9° |
| H39 | C1 | C2 | H40 | 59.9° | 179.9° |
| H53 | C19 | H54 | H52 | 120.0° | 120.0° |
| H40 | C2 | C3 | H42 | 58.5° | 178.7° |
| H40 | C2 | C3 | H41 | 60.9° | 61.4° |
| H59 | C30 | C31 | H60 | 175.7° | 177.7° |
| H59 | C30 | C31 | H61 | 63.9° | 57.6° |
| H59 | C30 | C36 | H69 | 63.8° | 57.7° |
| H59 | C30 | C36 | H70 | 175.7° | 177.8° |
| H60 | C31 | C32 | H63 | 59.7° | 59.2° |
| H60 | C31 | C32 | H62 | 179.6° | 179.2° |
| H61 | C31 | C32 | H63 | 60.7° | 61.0° |
| H61 | C31 | C32 | H62 | 59.1° | 59.0° |
| H64 | C34 | H66 | H65 | 120.0° | 120.0° |
| H67 | C35 | C36 | H69 | 60.6° | 59.1° |
| H67 | C35 | C36 | H70 | 60.0° | 179.3° |
| H68 | C35 | C36 | H69 | 59.2° | 60.9° |
| H68 | C35 | C36 | H70 | 179.7° | 59.3° |
