A1A2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| N2 | C4 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N6 | sing | 1.46Å | 1.46Å | |
| N6 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | F15 | sing | 1.35Å | 1.36Å | |
| C14 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | F18 | sing | 1.35Å | 1.35Å | |
| C9 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | N22 | doub | 1.30Å | 1.32Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.37Å | Aromatic |
| N23 | C24 | sing | 1.47Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O33 | doub | 1.22Å | 1.23Å | |
| C32 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3C | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 110.8° | 111.0° |
| C1 | N2 | C4 | 112.6° | 111.0° |
| N2 | C1 | H1B | 109.5° | 109.5° |
| N2 | C1 | H1C | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.4° | 109.5° |
| C3 | N2 | C4 | 111.3° | 111.0° |
| N2 | C3 | H3A | 109.5° | 109.4° |
| N2 | C3 | H3B | 109.4° | 109.5° |
| N2 | C3 | H3C | 109.5° | 109.5° |
| N2 | C4 | C5 | 113.9° | 109.4° |
| N2 | C4 | H4A | 108.4° | 109.5° |
| N2 | C4 | H4B | 108.4° | 109.5° |
| C4 | C5 | N6 | 113.2° | 109.5° |
| C5 | C4 | H4A | 108.4° | 109.5° |
| C5 | C4 | H4B | 108.4° | 109.5° |
| C4 | C5 | H5B | 108.5° | 109.5° |
| C4 | C5 | H5A | 108.5° | 109.5° |
| C5 | N6 | C7 | 120.8° | 120.0° |
| N6 | C5 | H5B | 108.6° | 109.4° |
| N6 | C5 | H5A | 108.5° | 109.4° |
| C5 | N6 | H6 | 119.6° | 120.0° |
| N6 | C7 | C8 | 118.0° | 120.0° |
| N6 | C7 | O33 | 121.8° | 120.0° |
| C7 | N6 | H6 | 119.6° | 120.0° |
| C7 | C8 | C9 | 120.5° | 119.9° |
| C8 | C7 | O33 | 120.2° | 120.0° |
| C7 | C8 | C32 | 118.3° | 119.9° |
| C8 | C9 | C10 | 120.4° | 119.7° |
| C8 | C9 | C19 | 119.9° | 120.6° |
| C9 | C8 | C32 | 120.8° | 120.3° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C10 | C9 | C19 | 119.6° | 119.7° |
| C9 | C10 | H10B | 108.4° | 109.5° |
| C9 | C10 | H10A | 108.4° | 109.5° |
| C10 | C11 | C12 | 121.3° | 120.0° |
| C10 | C11 | C17 | 121.9° | 119.9° |
| C11 | C10 | H10B | 108.4° | 109.5° |
| C11 | C10 | H10A | 108.4° | 109.5° |
| C11 | C12 | C13 | 121.4° | 120.1° |
| C12 | C11 | C17 | 116.8° | 120.1° |
| C11 | C12 | H12 | 119.3° | 119.9° |
| C12 | C13 | C14 | 118.3° | 120.0° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C13 | C14 | F15 | 118.6° | 120.0° |
| C13 | C14 | C16 | 123.1° | 120.0° |
| C14 | C13 | H13 | 120.8° | 120.0° |
| F15 | C14 | C16 | 118.3° | 120.0° |
| C14 | C16 | C17 | 116.6° | 120.0° |
| C14 | C16 | H16 | 121.7° | 120.0° |
| C11 | C17 | F18 | 117.8° | 120.1° |
| C11 | C17 | C16 | 123.7° | 119.9° |
| F18 | C17 | C16 | 118.4° | 120.0° |
| C9 | C19 | C20 | 120.0° | 120.0° |
| C9 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | 136.1° | 133.4° |
| C19 | C20 | C31 | 119.0° | 119.8° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C20 | C21 | N22 | 111.5° | 108.7° |
| C21 | C20 | C31 | 104.9° | 106.9° |
| C20 | C21 | H21 | 124.3° | 125.6° |
| C21 | N22 | N23 | 106.2° | 109.8° |
| N22 | C21 | H21 | 124.3° | 125.7° |
| N22 | N23 | C24 | 117.6° | 126.0° |
| N22 | N23 | C31 | 111.2° | 108.1° |
| N23 | C24 | C25 | 114.5° | 109.4° |
| C24 | N23 | C31 | 130.5° | 125.9° |
| N23 | C24 | H24A | 108.2° | 109.5° |
| N23 | C24 | H24B | 108.2° | 109.4° |
| C24 | C25 | C26 | 112.6° | 109.4° |
| C24 | C25 | C30 | 108.7° | 109.5° |
| C25 | C24 | H24A | 108.2° | 109.5° |
| C25 | C24 | H24B | 108.2° | 109.6° |
| C24 | C25 | H25 | 108.5° | 109.4° |
| C25 | C26 | C27 | 111.7° | 109.5° |
| C26 | C25 | C30 | 109.6° | 109.5° |
| C26 | C25 | H25 | 108.6° | 109.4° |
| C25 | C26 | H26B | 108.9° | 109.5° |
| C25 | C26 | H26A | 108.9° | 109.5° |
| C26 | C27 | C28 | 111.4° | 109.4° |
| C27 | C26 | H26B | 108.9° | 109.5° |
| C27 | C26 | H26A | 108.9° | 109.5° |
| C26 | C27 | H27B | 109.0° | 109.4° |
| C26 | C27 | H27A | 109.0° | 109.5° |
| C27 | C28 | C29 | 111.0° | 109.5° |
| C28 | C27 | H27B | 109.0° | 109.5° |
| C28 | C27 | H27A | 109.0° | 109.5° |
| C27 | C28 | H28B | 109.1° | 109.4° |
| C27 | C28 | H28A | 109.1° | 109.5° |
| C28 | C29 | C30 | 111.0° | 109.5° |
| C29 | C28 | H28B | 109.1° | 109.5° |
| C29 | C28 | H28A | 109.1° | 109.5° |
| C28 | C29 | H29A | 109.1° | 109.5° |
| C28 | C29 | H29B | 109.1° | 109.4° |
| C29 | C30 | C25 | 112.5° | 109.5° |
| C30 | C29 | H29A | 109.1° | 109.5° |
| C30 | C29 | H29B | 109.1° | 109.5° |
| C29 | C30 | H30A | 108.7° | 109.5° |
| C29 | C30 | H30B | 108.7° | 109.5° |
| C20 | C31 | C32 | 122.3° | 119.8° |
| C20 | C31 | N23 | 106.2° | 106.5° |
| C31 | C32 | C8 | 118.0° | 119.6° |
| C32 | C31 | N23 | 131.5° | 133.7° |
| C31 | C32 | H32 | 121.0° | 120.2° |
| C8 | C32 | H32 | 121.0° | 120.2° |
| C17 | C16 | H16 | 121.7° | 120.0° |
| C30 | C25 | H25 | 108.6° | 109.5° |
| C25 | C30 | H30A | 108.7° | 109.5° |
| C25 | C30 | H30B | 108.7° | 109.5° |
| H1B | C1 | H1C | 109.4° | 109.4° |
| H1B | C1 | H1A | 109.5° | 109.4° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H26B | C26 | H26A | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.5° | 109.5° |
| H28B | C28 | H28A | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| H3A | C3 | H3C | 109.4° | 109.5° |
| H3B | C3 | H3C | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.4° | 109.5° |
| H5B | C5 | H5A | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C4 | 126.2° | 124.0° |
| C1 | N2 | C4 | C5 | 29.1° | 66.0° |
| N2 | C1 | H1B | H1C | 120.0° | 120.1° |
| N2 | C1 | H1B | H1A | 120.0° | 120.0° |
| N2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C1 | N2 | C3 | H3A | 180.0° | 64.0° |
| C1 | N2 | C3 | H3B | 60.0° | 176.0° |
| C1 | N2 | C3 | H3C | 60.0° | 56.0° |
| C1 | N2 | C4 | H4A | 91.6° | 54.0° |
| C1 | N2 | C4 | H4B | 149.8° | 174.0° |
| C3 | N2 | C4 | C5 | 154.3° | 170.0° |
| C3 | N2 | C1 | H1B | 180.0° | 60.0° |
| C3 | N2 | C1 | H1C | 60.0° | 180.0° |
| C3 | N2 | C1 | H1A | 60.0° | 60.0° |
| N2 | C3 | H3A | H3B | 120.0° | 120.0° |
| N2 | C3 | H3A | H3C | 120.0° | 120.0° |
| N2 | C3 | H3B | H3C | 120.0° | 120.1° |
| C3 | N2 | C4 | H4A | 33.6° | 70.0° |
| C3 | N2 | C4 | H4B | 85.0° | 50.0° |
| N2 | C4 | C5 | H4A | 120.7° | 120.0° |
| N2 | C4 | C5 | H4B | 120.7° | 120.0° |
| N2 | C4 | C5 | N6 | 51.1° | 180.0° |
| C4 | N2 | C1 | H1B | 54.5° | 176.0° |
| C4 | N2 | C1 | H1C | 174.5° | 56.0° |
| C4 | N2 | C1 | H1A | 65.5° | 64.0° |
| C4 | N2 | C3 | H3A | 53.8° | 60.0° |
| C4 | N2 | C3 | H3B | 66.2° | 60.0° |
| C4 | N2 | C3 | H3C | 173.8° | 180.0° |
| N2 | C4 | H4A | H4B | 118.0° | 120.0° |
| N2 | C4 | C5 | H5B | 69.5° | 60.0° |
| N2 | C4 | C5 | H5A | 171.6° | 60.1° |
| C4 | C5 | N6 | H5B | 120.6° | 120.0° |
| C4 | C5 | N6 | H5A | 120.6° | 120.0° |
| C4 | C5 | N6 | C7 | 135.4° | 180.0° |
| C5 | C4 | H4A | H4B | 118.0° | 120.1° |
| C4 | C5 | H5B | H5A | 118.3° | 120.0° |
| C4 | C5 | N6 | H6 | 44.5° | 0.0° |
| C5 | N6 | C7 | H6 | 180.0° | 180.0° |
| C5 | N6 | C7 | C8 | 179.5° | 180.0° |
| C5 | N6 | C7 | O33 | 1.1° | 0.0° |
| N6 | C5 | C4 | H4A | 171.8° | 60.0° |
| N6 | C5 | C4 | H4B | 69.6° | 60.0° |
| N6 | C5 | H5B | H5A | 118.3° | 120.0° |
| N6 | C7 | C8 | O33 | 179.4° | 180.0° |
| N6 | C7 | C8 | C9 | 69.4° | 173.9° |
| N6 | C7 | C8 | C32 | 117.1° | 5.8° |
| C7 | N6 | C5 | H5B | 14.9° | 60.0° |
| C7 | N6 | C5 | H5A | 104.0° | 60.0° |
| C7 | C8 | C9 | C32 | 173.4° | 179.7° |
| C7 | C8 | C9 | C10 | 12.4° | 0.3° |
| C7 | C8 | C9 | C19 | 171.8° | 179.7° |
| C7 | C8 | C32 | C31 | 172.4° | 180.0° |
| C7 | C8 | C32 | H32 | 7.6° | 0.0° |
| C8 | C7 | N6 | H6 | 0.5° | 0.0° |
| C8 | C9 | C10 | C19 | 175.8° | 179.4° |
| C8 | C9 | C10 | C11 | 176.3° | 176.7° |
| C8 | C9 | C19 | C20 | 1.0° | 0.5° |
| C9 | C8 | C32 | C31 | 1.1° | 0.3° |
| C9 | C8 | C7 | O33 | 110.0° | 6.1° |
| C8 | C9 | C10 | H10B | 55.6° | 63.3° |
| C8 | C9 | C10 | H10A | 63.1° | 56.7° |
| C8 | C9 | C19 | H19 | 179.0° | 179.7° |
| C9 | C8 | C32 | H32 | 178.9° | 179.7° |
| C9 | C10 | C11 | H10B | 120.6° | 120.0° |
| C9 | C10 | C11 | H10A | 120.6° | 120.0° |
| C9 | C10 | C11 | C12 | 105.4° | 93.4° |
| C9 | C10 | C11 | C17 | 72.5° | 86.8° |
| C10 | C9 | C19 | C20 | 174.9° | 179.9° |
| C10 | C9 | C8 | C32 | 174.3° | 180.0° |
| C9 | C10 | H10B | H10A | 118.0° | 120.0° |
| C10 | C9 | C19 | H19 | 5.1° | 0.3° |
| C10 | C11 | C12 | C17 | 178.0° | 179.8° |
| C10 | C11 | C12 | C13 | 178.1° | 180.0° |
| C10 | C11 | C17 | F18 | 1.4° | 0.1° |
| C11 | C10 | C9 | C19 | 7.9° | 2.7° |
| C10 | C11 | C17 | C16 | 178.0° | 179.7° |
| C11 | C10 | H10B | H10A | 118.1° | 120.0° |
| C10 | C11 | C12 | H12 | 2.0° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C17 | F18 | 179.5° | 179.7° |
| C12 | C11 | C17 | C16 | 0.1° | 0.5° |
| C12 | C11 | C10 | H10B | 134.0° | 146.6° |
| C12 | C11 | C10 | H10A | 15.3° | 26.6° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | F15 | 178.5° | 179.9° |
| C12 | C13 | C14 | C16 | 0.1° | 0.0° |
| C13 | C12 | C11 | C17 | 0.0° | 0.3° |
| C13 | C14 | F15 | C16 | 178.7° | 179.9° |
| C13 | C14 | C16 | C17 | 0.0° | 0.3° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | C16 | H16 | 180.0° | 180.0° |
| F15 | C14 | C16 | C17 | 178.6° | 179.8° |
| F15 | C14 | C13 | H13 | 1.4° | 0.1° |
| F15 | C14 | C16 | H16 | 1.4° | 0.1° |
| C14 | C16 | C17 | C11 | 0.1° | 0.6° |
| C14 | C16 | C17 | F18 | 179.5° | 179.7° |
| C14 | C16 | C17 | H16 | 180.0° | 179.7° |
| C16 | C14 | C13 | H13 | 179.9° | 180.0° |
| C11 | C17 | F18 | C16 | 179.4° | 179.8° |
| C17 | C11 | C10 | H10B | 48.1° | 33.2° |
| C17 | C11 | C10 | H10A | 166.8° | 153.2° |
| C17 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C17 | C16 | H16 | 180.0° | 179.7° |
| F18 | C17 | C16 | H16 | 0.6° | 0.0° |
| C9 | C19 | C20 | H19 | 180.0° | 179.8° |
| C9 | C19 | C20 | C21 | 179.9° | 179.7° |
| C9 | C19 | C20 | C31 | 0.1° | 0.2° |
| C19 | C9 | C8 | C32 | 1.5° | 0.6° |
| C19 | C9 | C10 | H10B | 128.5° | 117.3° |
| C19 | C9 | C10 | H10A | 112.8° | 122.7° |
| C19 | C20 | C21 | C31 | 180.0° | 179.9° |
| C19 | C20 | C21 | N22 | 179.9° | 179.9° |
| C19 | C20 | C31 | C32 | 0.3° | 0.1° |
| C19 | C20 | C31 | N23 | 179.8° | 180.0° |
| C19 | C20 | C21 | H21 | 0.1° | 0.1° |
| C20 | C21 | N22 | H21 | 180.0° | 180.0° |
| C20 | C21 | N22 | N23 | 0.1° | 0.0° |
| C21 | C20 | C31 | C32 | 179.7° | 180.0° |
| C21 | C20 | C31 | N23 | 0.2° | 0.1° |
| C21 | C20 | C19 | H19 | 0.1° | 0.1° |
| C21 | N22 | N23 | C24 | 171.3° | 180.0° |
| N22 | C21 | C20 | C31 | 0.1° | 0.0° |
| C21 | N22 | N23 | C31 | 0.3° | 0.1° |
| N22 | N23 | C24 | C31 | 169.7° | 179.9° |
| N22 | N23 | C24 | C25 | 123.3° | 90.1° |
| N22 | N23 | C31 | C20 | 0.3° | 0.1° |
| N22 | N23 | C31 | C32 | 179.6° | 180.0° |
| N23 | N22 | C21 | H21 | 179.9° | 180.0° |
| N22 | N23 | C24 | H24A | 2.6° | 149.9° |
| N22 | N23 | C24 | H24B | 116.0° | 30.0° |
| N23 | C24 | C25 | H24A | 120.7° | 120.0° |
| N23 | C24 | C25 | H24B | 120.7° | 120.0° |
| N23 | C24 | C25 | C26 | 45.1° | 175.0° |
| C24 | N23 | C31 | C20 | 169.9° | 180.0° |
| C24 | N23 | C31 | C32 | 10.2° | 0.1° |
| N23 | C24 | C25 | C30 | 166.8° | 65.0° |
| N23 | C24 | H24A | H24B | 117.7° | 120.0° |
| N23 | C24 | C25 | H25 | 75.2° | 55.1° |
| C24 | C25 | C26 | C30 | 121.2° | 120.0° |
| C24 | C25 | C26 | H25 | 120.2° | 119.9° |
| C24 | C25 | C26 | C27 | 177.1° | 180.0° |
| C24 | C25 | C30 | C29 | 136.6° | 180.0° |
| C25 | C24 | N23 | C31 | 67.0° | 90.0° |
| C24 | C25 | C30 | H25 | 117.9° | 120.0° |
| C25 | C24 | H24A | H24B | 117.7° | 120.1° |
| C24 | C25 | C26 | H26B | 56.8° | 59.9° |
| C24 | C25 | C26 | H26A | 62.6° | 60.0° |
| C24 | C25 | C30 | H30A | 102.9° | 60.0° |
| C24 | C25 | C30 | H30B | 16.2° | 60.0° |
| C25 | C26 | C27 | H26B | 120.3° | 120.0° |
| C25 | C26 | C27 | H26A | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 47.4° | 60.0° |
| C26 | C25 | C30 | C29 | 13.2° | 60.0° |
| C26 | C25 | C30 | H25 | 118.6° | 120.0° |
| C26 | C25 | C24 | H24A | 75.6° | 65.0° |
| C26 | C25 | C24 | H24B | 165.8° | 55.0° |
| C25 | C26 | H26B | H26A | 119.0° | 120.0° |
| C25 | C26 | C27 | H27B | 72.9° | 60.0° |
| C25 | C26 | C27 | H27A | 167.7° | 180.0° |
| C26 | C25 | C30 | H30A | 133.6° | 60.0° |
| C26 | C25 | C30 | H30B | 107.3° | 180.0° |
| C26 | C27 | C28 | H27B | 120.3° | 119.9° |
| C26 | C27 | C28 | H27A | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 13.1° | 60.0° |
| C27 | C26 | C25 | C30 | 61.7° | 60.0° |
| C27 | C26 | C25 | H25 | 56.9° | 60.1° |
| C27 | C26 | H26B | H26A | 119.0° | 120.0° |
| C26 | C27 | H27B | H27A | 119.1° | 120.0° |
| C26 | C27 | C28 | H28B | 107.1° | 180.0° |
| C26 | C27 | C28 | H28A | 133.4° | 60.1° |
| C27 | C28 | C29 | H28B | 120.2° | 119.9° |
| C27 | C28 | C29 | H28A | 120.3° | 120.0° |
| C27 | C28 | C29 | C30 | 61.1° | 60.0° |
| C28 | C27 | C26 | H26B | 167.7° | 180.0° |
| C28 | C27 | C26 | H26A | 73.0° | 60.0° |
| C28 | C27 | H27B | H27A | 119.1° | 120.1° |
| C27 | C28 | H28B | H28A | 119.3° | 119.9° |
| C27 | C28 | C29 | H29A | 178.6° | 60.0° |
| C27 | C28 | C29 | H29B | 59.1° | 179.9° |
| C28 | C29 | C30 | H29A | 120.2° | 120.0° |
| C28 | C29 | C30 | H29B | 120.3° | 120.0° |
| C28 | C29 | C30 | C25 | 46.4° | 60.0° |
| C29 | C28 | C27 | H27B | 133.4° | 59.9° |
| C29 | C28 | C27 | H27A | 107.2° | 180.0° |
| C29 | C28 | H28B | H28A | 119.3° | 120.1° |
| C28 | C29 | H29A | H29B | 119.3° | 120.0° |
| C28 | C29 | C30 | H30A | 74.0° | 59.9° |
| C28 | C29 | C30 | H30B | 166.9° | 180.0° |
| C29 | C30 | C25 | H30A | 120.4° | 120.0° |
| C29 | C30 | C25 | H30B | 120.5° | 120.0° |
| C29 | C30 | C25 | H25 | 105.4° | 60.0° |
| C30 | C29 | C28 | H28B | 59.1° | 180.0° |
| C30 | C29 | C28 | H28A | 178.6° | 60.0° |
| C30 | C29 | H29A | H29B | 119.3° | 120.0° |
| C29 | C30 | H30A | H30B | 118.6° | 120.0° |
| C20 | C31 | C32 | N23 | 179.9° | 179.9° |
| C20 | C31 | C32 | C8 | 0.2° | 0.0° |
| C31 | C20 | C19 | H19 | 179.9° | 179.9° |
| C31 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C31 | C32 | H32 | 179.8° | 179.9° |
| C31 | C32 | C8 | H32 | 180.0° | 180.0° |
| O33 | C7 | C8 | C32 | 63.5° | 174.2° |
| O33 | C7 | N6 | H6 | 178.9° | 180.0° |
| C8 | C32 | C31 | N23 | 179.7° | 179.9° |
| C31 | N23 | C24 | H24A | 172.2° | 30.0° |
| C31 | N23 | C24 | H24B | 53.7° | 149.9° |
| N23 | C31 | C32 | H32 | 0.3° | 0.0° |
| C30 | C25 | C24 | H24A | 46.0° | 55.0° |
| C30 | C25 | C24 | H24B | 72.5° | 175.0° |
| C30 | C25 | C26 | H26B | 178.0° | 180.0° |
| C30 | C25 | C26 | H26A | 58.6° | 60.0° |
| C25 | C30 | C29 | H29A | 166.6° | 60.0° |
| C25 | C30 | C29 | H29B | 73.8° | 180.0° |
| C25 | C30 | H30A | H30B | 118.6° | 120.0° |
| H1B | C1 | H1C | H1A | 120.0° | 119.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H24A | C24 | C25 | H25 | 164.1° | 175.1° |
| H24B | C24 | C25 | H25 | 45.5° | 64.9° |
| H25 | C25 | C26 | H26B | 63.5° | 60.0° |
| H25 | C25 | C26 | H26A | 177.2° | 179.9° |
| H25 | C25 | C30 | H30A | 15.0° | 180.0° |
| H25 | C25 | C30 | H30B | 134.1° | 60.0° |
| H26B | C26 | C27 | H27B | 47.4° | 60.0° |
| H26B | C26 | C27 | H27A | 72.0° | 60.0° |
| H26A | C26 | C27 | H27B | 166.7° | 180.0° |
| H26A | C26 | C27 | H27A | 47.3° | 60.0° |
| H27B | C27 | C28 | H28B | 13.2° | 60.1° |
| H27B | C27 | C28 | H28A | 106.3° | 180.0° |
| H27A | C27 | C28 | H28B | 132.6° | 60.0° |
| H27A | C27 | C28 | H28A | 13.1° | 59.9° |
| H28B | C28 | C29 | H29A | 61.2° | 59.9° |
| H28B | C28 | C29 | H29B | 179.3° | 60.0° |
| H28A | C28 | C29 | H29A | 58.4° | 180.0° |
| H28A | C28 | C29 | H29B | 61.2° | 60.0° |
| H29A | C29 | C30 | H30A | 46.2° | 180.0° |
| H29A | C29 | C30 | H30B | 72.9° | 60.0° |
| H29B | C29 | C30 | H30A | 165.7° | 60.0° |
| H29B | C29 | C30 | H30B | 46.6° | 60.0° |
| H3A | C3 | H3B | H3C | 120.0° | 120.0° |
| H4A | C4 | C5 | H5B | 51.2° | 60.0° |
| H4A | C4 | C5 | H5A | 67.7° | 180.0° |
| H4B | C4 | C5 | H5B | 169.8° | 180.0° |
| H4B | C4 | C5 | H5A | 51.0° | 59.9° |
| H5B | C5 | N6 | H6 | 165.1° | 120.0° |
| H5A | C5 | N6 | H6 | 76.0° | 120.0° |
