A1AO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.36Å | 1.37Å | |
| C1 | C5 | sing | 1.41Å | 1.47Å | |
| C1 | C8 | sing | 1.51Å | 1.52Å | |
| C2 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C6 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | C8 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | O20 | sing | 1.35Å | 1.30Å | |
| C4 | C24 | sing | 1.53Å | 1.55Å | |
| C4 | C12 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C5 | O16 | doub | 1.21Å | 1.22Å | |
| C6 | C10 | sing | 1.47Å | 1.44Å | Aromatic |
| C6 | C11 | sing | 1.51Å | 1.51Å | |
| N7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C19 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.48Å | |
| C14 | C30 | sing | 1.53Å | 1.53Å | |
| C14 | C31 | sing | 1.53Å | 1.53Å | |
| N15 | C17 | sing | 1.35Å | 1.35Å | |
| C17 | O21 | doub | 1.21Å | 1.23Å | |
| C17 | C32 | sing | 1.51Å | 1.50Å | |
| C18 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C35 | sing | 1.51Å | 1.51Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.51Å | 1.51Å | |
| C33 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.08Å | 1.08Å | |
| C22 | H48 | sing | 1.08Å | 1.08Å | |
| C24 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.08Å | 1.08Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| N15 | H45 | sing | 0.97Å | 1.00Å | |
| C18 | H46 | sing | 1.08Å | 1.08Å | |
| O20 | H47 | sing | 0.97Å | 0.95Å | |
| C23 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C27 | H54 | sing | 1.08Å | 1.08Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.08Å | 1.08Å | |
| C34 | H66 | sing | 1.08Å | 1.08Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H71 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| C36 | H72 | sing | 1.09Å | 1.10Å | |
| C37 | H73 | sing | 1.08Å | 1.08Å | |
| C38 | H74 | sing | 1.08Å | 1.08Å | |
| C39 | H75 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C5 | 90.9° | 97.4° |
| C3 | C1 | C8 | 136.3° | 131.3° |
| C1 | C3 | C4 | 96.2° | 88.7° |
| C1 | C3 | O20 | 138.9° | 135.6° |
| C5 | C1 | C8 | 132.7° | 131.4° |
| C1 | C5 | C4 | 90.6° | 86.8° |
| C1 | C5 | O16 | 135.6° | 136.6° |
| C1 | C8 | C2 | 113.0° | 109.4° |
| C1 | C8 | C19 | 111.7° | 109.5° |
| C1 | C8 | H41 | 105.9° | 109.5° |
| N7 | C2 | C6 | 109.9° | 110.0° |
| N7 | C2 | C8 | 121.4° | 125.0° |
| C2 | N7 | C9 | 108.5° | 109.8° |
| C2 | N7 | H40 | 125.8° | 125.1° |
| C6 | C2 | C8 | 128.7° | 125.0° |
| C2 | C6 | C10 | 106.9° | 107.0° |
| C2 | C6 | C11 | 127.9° | 126.6° |
| C2 | C8 | C19 | 113.7° | 109.5° |
| C2 | C8 | H41 | 106.0° | 109.5° |
| C4 | C3 | O20 | 124.9° | 135.7° |
| C3 | C4 | C24 | 114.7° | 113.7° |
| C3 | C4 | C12 | 115.3° | 113.6° |
| C3 | C4 | C5 | 82.2° | 87.1° |
| C3 | O20 | H47 | 109.5° | 116.9° |
| C24 | C4 | C12 | 113.7° | 112.9° |
| C24 | C4 | C5 | 115.7° | 113.6° |
| C4 | C24 | H52 | 109.5° | 109.5° |
| C4 | C24 | H50 | 109.5° | 109.5° |
| C4 | C24 | H51 | 109.5° | 109.4° |
| C12 | C4 | C5 | 111.6° | 113.6° |
| C4 | C12 | C22 | 120.6° | 120.0° |
| C4 | C12 | C23 | 121.5° | 120.0° |
| C4 | C5 | O16 | 133.8° | 136.6° |
| C10 | C6 | C11 | 125.2° | 126.5° |
| C6 | C10 | C9 | 106.9° | 106.0° |
| C6 | C10 | C13 | 135.1° | 134.0° |
| C6 | C11 | C14 | 117.7° | 109.5° |
| C6 | C11 | H43 | 107.4° | 109.4° |
| C6 | C11 | H42 | 107.4° | 109.5° |
| N7 | C9 | C10 | 107.8° | 107.2° |
| N7 | C9 | C18 | 130.5° | 133.5° |
| C9 | N7 | H40 | 125.8° | 125.1° |
| C8 | C19 | C34 | 120.2° | 120.0° |
| C8 | C19 | C33 | 121.4° | 120.0° |
| C19 | C8 | H41 | 105.8° | 109.5° |
| C10 | C9 | C18 | 121.7° | 119.4° |
| C9 | C10 | C13 | 118.1° | 119.9° |
| C9 | C18 | C26 | 119.7° | 119.7° |
| C9 | C18 | H46 | 120.1° | 120.2° |
| C10 | C13 | C25 | 120.0° | 119.7° |
| C10 | C13 | H44 | 120.0° | 120.1° |
| C11 | C14 | N15 | 112.0° | 109.5° |
| C11 | C14 | C30 | 110.7° | 109.5° |
| C11 | C14 | C31 | 109.5° | 109.5° |
| C14 | C11 | H43 | 107.4° | 109.4° |
| C14 | C11 | H42 | 107.4° | 109.5° |
| C22 | C12 | C23 | 117.8° | 120.0° |
| C12 | C22 | C27 | 121.1° | 120.0° |
| C12 | C22 | H48 | 119.4° | 120.0° |
| C12 | C23 | C28 | 120.7° | 120.0° |
| C12 | C23 | H49 | 119.6° | 120.0° |
| C13 | C25 | C26 | 121.8° | 120.6° |
| C25 | C13 | H44 | 120.0° | 120.2° |
| C13 | C25 | H53 | 119.1° | 119.7° |
| N15 | C14 | C30 | 107.2° | 109.4° |
| N15 | C14 | C31 | 108.3° | 109.5° |
| C14 | N15 | C17 | 126.0° | 120.0° |
| C14 | N15 | H45 | 117.0° | 119.9° |
| C30 | C14 | C31 | 109.2° | 109.5° |
| C14 | C30 | H56 | 109.5° | 109.4° |
| C14 | C30 | H57 | 109.4° | 109.5° |
| C14 | C30 | H58 | 109.5° | 109.5° |
| C14 | C31 | H61 | 109.5° | 109.4° |
| C14 | C31 | H60 | 109.5° | 109.5° |
| C14 | C31 | H59 | 109.4° | 109.4° |
| N15 | C17 | O21 | 122.3° | 120.0° |
| N15 | C17 | C32 | 115.7° | 120.0° |
| C17 | N15 | H45 | 117.0° | 120.1° |
| O21 | C17 | C32 | 122.0° | 120.0° |
| C17 | C32 | H62 | 109.5° | 109.5° |
| C17 | C32 | H63 | 109.5° | 109.5° |
| C17 | C32 | H64 | 109.5° | 109.4° |
| C18 | C26 | C25 | 118.6° | 120.7° |
| C18 | C26 | C35 | 120.6° | 119.6° |
| C26 | C18 | H46 | 120.1° | 120.1° |
| C34 | C19 | C33 | 118.4° | 120.0° |
| C19 | C34 | C38 | 120.7° | 120.0° |
| C19 | C34 | H66 | 119.6° | 120.0° |
| C19 | C33 | C37 | 120.7° | 120.0° |
| C19 | C33 | H65 | 119.6° | 120.0° |
| C22 | C27 | C29 | 121.3° | 120.0° |
| C27 | C22 | H48 | 119.5° | 120.0° |
| C22 | C27 | H54 | 119.4° | 120.0° |
| C23 | C28 | C29 | 121.2° | 120.0° |
| C23 | C28 | H55 | 119.4° | 120.0° |
| C28 | C23 | H49 | 119.6° | 120.0° |
| C25 | C26 | C35 | 120.7° | 119.7° |
| C26 | C25 | H53 | 119.1° | 119.7° |
| C26 | C35 | H67 | 109.5° | 109.5° |
| C26 | C35 | H68 | 109.4° | 109.5° |
| C26 | C35 | H69 | 109.5° | 109.5° |
| C27 | C29 | C28 | 117.8° | 120.0° |
| C27 | C29 | C36 | 120.8° | 120.1° |
| C29 | C27 | H54 | 119.4° | 120.0° |
| C28 | C29 | C36 | 121.4° | 120.0° |
| C29 | C28 | H55 | 119.4° | 120.0° |
| C29 | C36 | H71 | 109.5° | 109.5° |
| C29 | C36 | H70 | 109.4° | 109.4° |
| C29 | C36 | H72 | 109.4° | 109.5° |
| C33 | C37 | C39 | 120.3° | 120.0° |
| C37 | C33 | H65 | 119.7° | 120.0° |
| C33 | C37 | H73 | 119.9° | 120.0° |
| C34 | C38 | C39 | 120.3° | 120.0° |
| C38 | C34 | H66 | 119.7° | 120.0° |
| C34 | C38 | H74 | 119.9° | 120.0° |
| C37 | C39 | C38 | 119.6° | 120.0° |
| C39 | C37 | H73 | 119.9° | 120.0° |
| C37 | C39 | H75 | 120.2° | 120.1° |
| C39 | C38 | H74 | 119.9° | 120.0° |
| C38 | C39 | H75 | 120.2° | 120.0° |
| H52 | C24 | H50 | 109.5° | 109.5° |
| H52 | C24 | H51 | 109.5° | 109.5° |
| H50 | C24 | H51 | 109.5° | 109.5° |
| H43 | C11 | H42 | 109.4° | 109.5° |
| H56 | C30 | H57 | 109.5° | 109.4° |
| H56 | C30 | H58 | 109.5° | 109.5° |
| H57 | C30 | H58 | 109.5° | 109.5° |
| H61 | C31 | H60 | 109.5° | 109.5° |
| H61 | C31 | H59 | 109.4° | 109.5° |
| H60 | C31 | H59 | 109.5° | 109.5° |
| H62 | C32 | H63 | 109.5° | 109.5° |
| H62 | C32 | H64 | 109.4° | 109.5° |
| H63 | C32 | H64 | 109.5° | 109.4° |
| H67 | C35 | H68 | 109.5° | 109.4° |
| H67 | C35 | H69 | 109.4° | 109.5° |
| H68 | C35 | H69 | 109.5° | 109.5° |
| H71 | C36 | H70 | 109.5° | 109.5° |
| H71 | C36 | H72 | 109.4° | 109.6° |
| H70 | C36 | H72 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C5 | C8 | 176.9° | 179.9° |
| C3 | C1 | C8 | C2 | 128.8° | 126.5° |
| C1 | C3 | C4 | O20 | 179.5° | 179.9° |
| C1 | C3 | C4 | C24 | 114.9° | 114.5° |
| C1 | C3 | C4 | C12 | 110.1° | 114.6° |
| C3 | C1 | C5 | C4 | 0.1° | 0.1° |
| C3 | C1 | C5 | O16 | 179.3° | 179.9° |
| C3 | C1 | C8 | C19 | 101.5° | 113.5° |
| C3 | C1 | C8 | H41 | 13.1° | 6.5° |
| C1 | C3 | O20 | H47 | 180.0° | 3.0° |
| C5 | C1 | C8 | C2 | 55.7° | 53.5° |
| C5 | C1 | C3 | O20 | 179.5° | 180.0° |
| C1 | C5 | C4 | C24 | 113.8° | 114.5° |
| C1 | C5 | C4 | C12 | 114.1° | 114.6° |
| C1 | C5 | C4 | O16 | 179.2° | 180.0° |
| C5 | C1 | C8 | C19 | 74.0° | 66.4° |
| C5 | C1 | C8 | H41 | 171.4° | 173.5° |
| C1 | C8 | C2 | N7 | 52.7° | 54.2° |
| C1 | C8 | C2 | C6 | 127.0° | 126.2° |
| C1 | C8 | C2 | C19 | 128.7° | 120.0° |
| C1 | C8 | C2 | H41 | 115.6° | 120.0° |
| C8 | C1 | C3 | C4 | 176.5° | 180.0° |
| C8 | C1 | C3 | O20 | 2.8° | 0.1° |
| C8 | C1 | C5 | C4 | 176.7° | 180.0° |
| C8 | C1 | C5 | O16 | 2.4° | 0.0° |
| C1 | C8 | C19 | H41 | 114.7° | 120.1° |
| C1 | C8 | C19 | C34 | 59.1° | 120.0° |
| C1 | C8 | C19 | C33 | 118.8° | 60.2° |
| N7 | C2 | C6 | C8 | 179.7° | 179.7° |
| N7 | C2 | C6 | C10 | 0.1° | 0.0° |
| N7 | C2 | C6 | C11 | 179.0° | 179.7° |
| C2 | N7 | C9 | H40 | 180.0° | 179.7° |
| N7 | C2 | C8 | C19 | 75.9° | 65.8° |
| C2 | N7 | C9 | C10 | 0.1° | 0.5° |
| C2 | N7 | C9 | C18 | 179.4° | 180.0° |
| N7 | C2 | C8 | H41 | 168.3° | 174.2° |
| C2 | C6 | C10 | C11 | 179.0° | 179.8° |
| C6 | C2 | N7 | C9 | 0.0° | 0.3° |
| C6 | C2 | C8 | C19 | 104.4° | 113.8° |
| C2 | C6 | C10 | C9 | 0.1° | 0.2° |
| C2 | C6 | C10 | C13 | 179.6° | 179.8° |
| C2 | C6 | C11 | C14 | 85.1° | 94.7° |
| C6 | C2 | C8 | H41 | 11.4° | 6.2° |
| C6 | C2 | N7 | H40 | 180.0° | 180.0° |
| C2 | C6 | C11 | H43 | 153.7° | 25.3° |
| C2 | C6 | C11 | H42 | 36.1° | 145.2° |
| C8 | C2 | C6 | C10 | 179.6° | 179.7° |
| C8 | C2 | C6 | C11 | 0.7° | 0.1° |
| C8 | C2 | N7 | C9 | 179.7° | 180.0° |
| C2 | C8 | C19 | H41 | 115.9° | 120.0° |
| C2 | C8 | C19 | C34 | 171.5° | 120.1° |
| C2 | C8 | C19 | C33 | 10.6° | 59.7° |
| C8 | C2 | N7 | H40 | 0.3° | 0.4° |
| C3 | C4 | C24 | C12 | 135.7° | 131.3° |
| C3 | C4 | C24 | C5 | 93.2° | 97.6° |
| C3 | C4 | C12 | C5 | 91.5° | 97.5° |
| C3 | C4 | C5 | O16 | 179.3° | 179.9° |
| C3 | C4 | C12 | C22 | 11.6° | 178.5° |
| C3 | C4 | C12 | C23 | 169.5° | 1.6° |
| C3 | C4 | C24 | H52 | 180.0° | 61.5° |
| C3 | C4 | C24 | H50 | 60.0° | 58.4° |
| C3 | C4 | C24 | H51 | 60.0° | 178.4° |
| C4 | C3 | O20 | H47 | 0.8° | 177.2° |
| O20 | C3 | C4 | C24 | 65.7° | 65.4° |
| O20 | C3 | C4 | C12 | 69.3° | 65.6° |
| O20 | C3 | C4 | C5 | 179.6° | 179.9° |
| C24 | C4 | C12 | C5 | 133.0° | 131.2° |
| C24 | C4 | C5 | O16 | 67.0° | 65.4° |
| C24 | C4 | C12 | C22 | 147.0° | 50.2° |
| C24 | C4 | C12 | C23 | 34.1° | 129.7° |
| C4 | C24 | H52 | H50 | 120.0° | 120.0° |
| C4 | C24 | H52 | H51 | 120.0° | 120.0° |
| C4 | C24 | H50 | H51 | 120.0° | 120.0° |
| C12 | C4 | C5 | O16 | 65.1° | 65.4° |
| C4 | C12 | C22 | C23 | 178.9° | 179.9° |
| C4 | C12 | C22 | C27 | 178.7° | 179.9° |
| C4 | C12 | C23 | C28 | 179.3° | 179.9° |
| C4 | C12 | C22 | H48 | 1.3° | 0.2° |
| C12 | C4 | C24 | H52 | 44.3° | 69.7° |
| C12 | C4 | C24 | H50 | 75.7° | 170.3° |
| C12 | C4 | C24 | H51 | 164.3° | 50.3° |
| C4 | C12 | C23 | H49 | 0.7° | 0.1° |
| C5 | C4 | C12 | C22 | 79.9° | 81.0° |
| C5 | C4 | C12 | C23 | 98.9° | 99.1° |
| C5 | C4 | C24 | H52 | 86.8° | 159.1° |
| C5 | C4 | C24 | H50 | 153.2° | 39.1° |
| C5 | C4 | C24 | H51 | 33.2° | 80.9° |
| C6 | C10 | C9 | N7 | 0.1° | 0.4° |
| C6 | C10 | C9 | C13 | 179.6° | 179.9° |
| C6 | C10 | C9 | C18 | 179.4° | 179.9° |
| C10 | C6 | C11 | C14 | 96.2° | 85.6° |
| C6 | C10 | C13 | C25 | 179.4° | 180.0° |
| C6 | C10 | C13 | H44 | 0.7° | 0.1° |
| C10 | C6 | C11 | H43 | 25.0° | 154.5° |
| C10 | C6 | C11 | H42 | 142.7° | 34.5° |
| C11 | C6 | C10 | C9 | 179.1° | 180.0° |
| C11 | C6 | C10 | C13 | 1.4° | 0.1° |
| C6 | C11 | C14 | H43 | 121.2° | 120.0° |
| C6 | C11 | C14 | H42 | 121.2° | 120.1° |
| C6 | C11 | C14 | N15 | 87.5° | 177.9° |
| C6 | C11 | C14 | C30 | 32.1° | 62.1° |
| C6 | C11 | C14 | C31 | 152.4° | 57.9° |
| C6 | C11 | H43 | H42 | 116.3° | 120.0° |
| N7 | C9 | C10 | C18 | 179.5° | 179.6° |
| N7 | C9 | C10 | C13 | 179.7° | 179.6° |
| N7 | C9 | C18 | C26 | 179.2° | 180.0° |
| N7 | C9 | C18 | H46 | 0.8° | 0.0° |
| C8 | C19 | C34 | C33 | 177.9° | 179.8° |
| C8 | C19 | C33 | C37 | 178.8° | 180.0° |
| C8 | C19 | C34 | C38 | 179.0° | 180.0° |
| C8 | C19 | C33 | H65 | 1.2° | 0.0° |
| C8 | C19 | C34 | H66 | 1.1° | 0.1° |
| C9 | C10 | C13 | C25 | 0.1° | 0.1° |
| C10 | C9 | C18 | C26 | 0.2° | 0.5° |
| C9 | C10 | C13 | H44 | 179.9° | 180.0° |
| C10 | C9 | N7 | H40 | 179.9° | 179.9° |
| C10 | C9 | C18 | H46 | 179.8° | 179.5° |
| C18 | C9 | C10 | C13 | 0.2° | 0.0° |
| C9 | C18 | C26 | H46 | 180.0° | 180.0° |
| C9 | C18 | C26 | C25 | 0.8° | 1.0° |
| C9 | C18 | C26 | C35 | 179.5° | 180.0° |
| C18 | C9 | N7 | H40 | 0.6° | 0.3° |
| C10 | C13 | C25 | H44 | 180.0° | 179.9° |
| C10 | C13 | C25 | C26 | 0.4° | 0.6° |
| C10 | C13 | C25 | H53 | 179.6° | 180.0° |
| C11 | C14 | N15 | C30 | 121.6° | 120.0° |
| C11 | C14 | N15 | C31 | 120.8° | 120.1° |
| C11 | C14 | C30 | C31 | 120.5° | 120.0° |
| C11 | C14 | N15 | C17 | 63.4° | 180.0° |
| C14 | C11 | H43 | H42 | 116.3° | 120.0° |
| C11 | C14 | N15 | H45 | 116.6° | 0.0° |
| C11 | C14 | C30 | H56 | 180.0° | 60.1° |
| C11 | C14 | C30 | H57 | 60.0° | 180.0° |
| C11 | C14 | C30 | H58 | 60.0° | 59.9° |
| C11 | C14 | C31 | H61 | 180.0° | 63.7° |
| C11 | C14 | C31 | H60 | 60.0° | 176.3° |
| C11 | C14 | C31 | H59 | 60.0° | 56.3° |
| C12 | C22 | C27 | H48 | 180.0° | 179.8° |
| C22 | C12 | C23 | C28 | 0.4° | 0.0° |
| C12 | C22 | C27 | C29 | 0.6° | 0.3° |
| C22 | C12 | C23 | H49 | 179.6° | 180.0° |
| C12 | C22 | C27 | H54 | 179.4° | 179.8° |
| C23 | C12 | C22 | C27 | 0.2° | 0.0° |
| C12 | C23 | C28 | H49 | 180.0° | 180.0° |
| C12 | C23 | C28 | C29 | 0.8° | 0.3° |
| C23 | C12 | C22 | H48 | 179.8° | 179.8° |
| C12 | C23 | C28 | H55 | 179.3° | 179.7° |
| C13 | C25 | C26 | C18 | 0.9° | 1.1° |
| C13 | C25 | C26 | H53 | 180.0° | 179.4° |
| C13 | C25 | C26 | C35 | 179.4° | 180.0° |
| N15 | C14 | C30 | C31 | 117.1° | 120.0° |
| C14 | N15 | C17 | H45 | 180.0° | 180.0° |
| C14 | N15 | C17 | O21 | 6.5° | 0.0° |
| C14 | N15 | C17 | C32 | 173.0° | 180.0° |
| N15 | C14 | C11 | H43 | 151.3° | 58.0° |
| N15 | C14 | C11 | H42 | 33.7° | 62.0° |
| N15 | C14 | C30 | H56 | 57.6° | 179.9° |
| N15 | C14 | C30 | H57 | 62.4° | 60.0° |
| N15 | C14 | C30 | H58 | 177.6° | 60.1° |
| N15 | C14 | C31 | H61 | 57.7° | 56.4° |
| N15 | C14 | C31 | H60 | 177.7° | 63.7° |
| N15 | C14 | C31 | H59 | 62.3° | 176.3° |
| C30 | C14 | N15 | C17 | 175.0° | 60.0° |
| C30 | C14 | C11 | H43 | 89.1° | 178.0° |
| C30 | C14 | C11 | H42 | 153.3° | 58.0° |
| C30 | C14 | N15 | H45 | 5.0° | 120.0° |
| C14 | C30 | H56 | H57 | 120.0° | 120.0° |
| C14 | C30 | H56 | H58 | 120.0° | 120.0° |
| C14 | C30 | H57 | H58 | 120.0° | 120.1° |
| C30 | C14 | C31 | H61 | 58.7° | 176.3° |
| C30 | C14 | C31 | H60 | 61.3° | 56.3° |
| C30 | C14 | C31 | H59 | 178.7° | 63.8° |
| C31 | C14 | N15 | C17 | 57.3° | 59.9° |
| C31 | C14 | C11 | H43 | 31.2° | 62.0° |
| C31 | C14 | C11 | H42 | 86.4° | 178.0° |
| C31 | C14 | N15 | H45 | 122.7° | 120.0° |
| C31 | C14 | C30 | H56 | 59.5° | 60.0° |
| C31 | C14 | C30 | H57 | 179.5° | 59.9° |
| C31 | C14 | C30 | H58 | 60.5° | 180.0° |
| C14 | C31 | H61 | H60 | 120.0° | 120.0° |
| C14 | C31 | H61 | H59 | 120.0° | 119.9° |
| C14 | C31 | H60 | H59 | 120.0° | 120.0° |
| N15 | C17 | O21 | C32 | 179.5° | 180.0° |
| N15 | C17 | C32 | H62 | 179.5° | 90.0° |
| N15 | C17 | C32 | H63 | 60.5° | 30.0° |
| N15 | C17 | C32 | H64 | 59.5° | 150.0° |
| O21 | C17 | N15 | H45 | 173.5° | 180.0° |
| O21 | C17 | C32 | H62 | 0.0° | 90.0° |
| O21 | C17 | C32 | H63 | 120.0° | 149.9° |
| O21 | C17 | C32 | H64 | 120.0° | 30.0° |
| C32 | C17 | N15 | H45 | 7.0° | 0.0° |
| C17 | C32 | H62 | H63 | 120.0° | 120.1° |
| C17 | C32 | H62 | H64 | 120.0° | 119.9° |
| C17 | C32 | H63 | H64 | 120.0° | 119.9° |
| C18 | C26 | C25 | C35 | 179.7° | 178.9° |
| C18 | C26 | C25 | H53 | 179.1° | 179.5° |
| C18 | C26 | C35 | H67 | 89.9° | 90.0° |
| C18 | C26 | C35 | H68 | 150.1° | 150.0° |
| C18 | C26 | C35 | H69 | 30.1° | 30.0° |
| C34 | C19 | C33 | C37 | 0.9° | 0.2° |
| C19 | C34 | C38 | H66 | 180.0° | 180.0° |
| C19 | C34 | C38 | C39 | 0.4° | 0.0° |
| C34 | C19 | C8 | H41 | 55.6° | 0.1° |
| C34 | C19 | C33 | H65 | 179.1° | 179.8° |
| C19 | C34 | C38 | H74 | 179.6° | 179.9° |
| C19 | C33 | C37 | H65 | 180.0° | 180.0° |
| C33 | C19 | C34 | C38 | 1.0° | 0.2° |
| C19 | C33 | C37 | C39 | 0.1° | 0.0° |
| C33 | C19 | C8 | H41 | 126.5° | 179.7° |
| C33 | C19 | C34 | H66 | 179.0° | 179.7° |
| C19 | C33 | C37 | H73 | 179.9° | 180.0° |
| C22 | C27 | C29 | H54 | 180.0° | 180.0° |
| C22 | C27 | C29 | C28 | 0.2° | 0.6° |
| C22 | C27 | C29 | C36 | 178.8° | 180.0° |
| C23 | C28 | C29 | C27 | 0.4° | 0.6° |
| C23 | C28 | C29 | H55 | 180.0° | 179.4° |
| C23 | C28 | C29 | C36 | 179.4° | 180.0° |
| C26 | C25 | C13 | H44 | 179.6° | 179.5° |
| C25 | C26 | C18 | H46 | 179.3° | 179.0° |
| C25 | C26 | C35 | H67 | 89.9° | 91.0° |
| C25 | C26 | C35 | H68 | 30.1° | 28.9° |
| C25 | C26 | C35 | H69 | 150.2° | 148.9° |
| C35 | C26 | C18 | H46 | 0.5° | 0.0° |
| C35 | C26 | C25 | H53 | 0.6° | 0.5° |
| C26 | C35 | H67 | H68 | 120.0° | 120.0° |
| C26 | C35 | H67 | H69 | 120.0° | 120.0° |
| C26 | C35 | H68 | H69 | 120.0° | 120.0° |
| C27 | C29 | C28 | C36 | 179.0° | 179.4° |
| C29 | C27 | C22 | H48 | 179.5° | 179.9° |
| C27 | C29 | C28 | H55 | 179.6° | 180.0° |
| C27 | C29 | C36 | H71 | 89.5° | 89.4° |
| C27 | C29 | C36 | H70 | 150.5° | 30.6° |
| C27 | C29 | C36 | H72 | 30.5° | 150.5° |
| C29 | C28 | C23 | H49 | 179.3° | 179.7° |
| C28 | C29 | C27 | H54 | 179.8° | 179.5° |
| C28 | C29 | C36 | H71 | 89.5° | 90.1° |
| C28 | C29 | C36 | H70 | 30.5° | 150.0° |
| C28 | C29 | C36 | H72 | 150.5° | 30.0° |
| C36 | C29 | C28 | H55 | 0.6° | 0.5° |
| C36 | C29 | C27 | H54 | 1.2° | 0.0° |
| C29 | C36 | H71 | H70 | 120.0° | 119.9° |
| C29 | C36 | H71 | H72 | 120.0° | 120.1° |
| C29 | C36 | H70 | H72 | 120.0° | 120.0° |
| C33 | C37 | C39 | H73 | 180.0° | 180.0° |
| C33 | C37 | C39 | C38 | 0.6° | 0.2° |
| C33 | C37 | C39 | H75 | 179.4° | 180.0° |
| C34 | C38 | C39 | C37 | 0.5° | 0.2° |
| C34 | C38 | C39 | H74 | 180.0° | 179.9° |
| C34 | C38 | C39 | H75 | 179.5° | 180.0° |
| C37 | C39 | C38 | H75 | 180.0° | 179.8° |
| C39 | C37 | C33 | H65 | 179.9° | 180.0° |
| C37 | C39 | C38 | H74 | 179.5° | 179.7° |
| C39 | C38 | C34 | H66 | 179.7° | 179.9° |
| C38 | C39 | C37 | H73 | 179.4° | 179.8° |
| H44 | C13 | C25 | H53 | 0.4° | 0.1° |
| H48 | C22 | C27 | H54 | 0.5° | 0.0° |
| H52 | C24 | H50 | H51 | 120.0° | 120.1° |
| H55 | C28 | C23 | H49 | 0.7° | 0.3° |
| H56 | C30 | H57 | H58 | 120.0° | 120.0° |
| H61 | C31 | H60 | H59 | 120.0° | 120.0° |
| H62 | C32 | H63 | H64 | 120.0° | 120.0° |
| H65 | C33 | C37 | H73 | 0.1° | 0.0° |
| H66 | C34 | C38 | H74 | 0.4° | 0.0° |
| H67 | C35 | H68 | H69 | 120.0° | 120.0° |
| H71 | C36 | H70 | H72 | 120.0° | 120.1° |
| H73 | C37 | C39 | H75 | 0.7° | 0.0° |
| H74 | C38 | C39 | H75 | 0.5° | 0.1° |
