A1L1B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.51Å | 1.52Å | |
| C28 | N27 | sing | 1.47Å | 1.45Å | |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| N27 | C26 | sing | 1.35Å | 1.45Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | F34 | sing | 1.35Å | 1.36Å | |
| C25 | C18 | sing | 1.53Å | 1.51Å | |
| C26 | C18 | sing | 1.51Å | 1.52Å | |
| C26 | O37 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | N05 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.48Å | 1.38Å | |
| C10 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | N08 | doub | 1.33Å | 1.32Å | Aromatic |
| N05 | C06 | sing | 1.40Å | 1.45Å | |
| N05 | C04 | sing | 1.35Å | 1.47Å | |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| N08 | C07 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.32Å | Aromatic |
| O38 | C04 | doub | 1.21Å | 1.18Å | |
| C04 | C02 | sing | 1.51Å | 1.59Å | |
| C24 | N23 | sing | 1.32Å | 1.32Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O03 | sing | 1.43Å | 1.39Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| N27 | H28 | sing | 0.97Å | 1.00Å | |
| O03 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C30 | 108.9° | 109.5° |
| C29 | C28 | N27 | 109.4° | 109.5° |
| C29 | C28 | H8 | 109.2° | 109.5° |
| C28 | C29 | H21 | 109.5° | 109.4° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C30 | C28 | N27 | 109.9° | 109.4° |
| C28 | C30 | C31 | 120.2° | 120.0° |
| C28 | C30 | C36 | 119.3° | 120.0° |
| C30 | C28 | H8 | 109.2° | 109.4° |
| C28 | N27 | C26 | 118.3° | 120.0° |
| N27 | C28 | H8 | 110.2° | 109.4° |
| C28 | N27 | H28 | 120.8° | 120.0° |
| C30 | C31 | C32 | 119.5° | 120.0° |
| C31 | C30 | C36 | 120.5° | 120.0° |
| C30 | C31 | H24 | 120.3° | 119.9° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H24 | 120.2° | 120.0° |
| C31 | C32 | H25 | 120.0° | 120.0° |
| C30 | C36 | C35 | 119.9° | 120.1° |
| C30 | C36 | H27 | 120.1° | 120.0° |
| N27 | C26 | C18 | 120.9° | 120.0° |
| N27 | C26 | O37 | 118.1° | 120.0° |
| C26 | N27 | H28 | 120.8° | 120.0° |
| C32 | C33 | C35 | 120.5° | 120.0° |
| C32 | C33 | F34 | 120.0° | 120.0° |
| C33 | C32 | H25 | 120.0° | 120.1° |
| C36 | C35 | C33 | 119.7° | 119.9° |
| C36 | C35 | H26 | 120.2° | 120.1° |
| C35 | C36 | H27 | 120.1° | 119.9° |
| C35 | C33 | F34 | 119.6° | 120.0° |
| C33 | C35 | H26 | 120.1° | 120.0° |
| C25 | C18 | C26 | 110.8° | 109.4° |
| C25 | C18 | C19 | 113.8° | 109.5° |
| C25 | C18 | N05 | 110.2° | 109.5° |
| C18 | C25 | H18 | 109.5° | 109.5° |
| C18 | C25 | H19 | 109.5° | 109.4° |
| C18 | C25 | H20 | 109.5° | 109.5° |
| C18 | C26 | O37 | 120.8° | 120.0° |
| C26 | C18 | C19 | 99.1° | 109.5° |
| C26 | C18 | N05 | 113.1° | 109.5° |
| C21 | C20 | C19 | 117.4° | 118.4° |
| C20 | C21 | C22 | 120.1° | 119.2° |
| C21 | C20 | H4 | 121.3° | 120.8° |
| C20 | C21 | H5 | 119.9° | 120.4° |
| C20 | C19 | C18 | 120.0° | 120.4° |
| C20 | C19 | C24 | 119.6° | 119.2° |
| C19 | C20 | H4 | 121.3° | 120.8° |
| C19 | C18 | N05 | 109.4° | 109.5° |
| C18 | C19 | C24 | 120.4° | 120.4° |
| C18 | N05 | C06 | 117.9° | 120.0° |
| C18 | N05 | C04 | 121.4° | 120.0° |
| C17 | C16 | C09 | 119.0° | 119.1° |
| C16 | C17 | C06 | 119.1° | 118.5° |
| C16 | C17 | H3 | 120.4° | 120.8° |
| C17 | C16 | H17 | 120.5° | 120.4° |
| C16 | C09 | C10 | 115.9° | 119.7° |
| C16 | C09 | N08 | 121.9° | 120.7° |
| C09 | C16 | H17 | 120.5° | 120.4° |
| C17 | C06 | N05 | 115.0° | 120.4° |
| C17 | C06 | C07 | 118.6° | 119.2° |
| C06 | C17 | H3 | 120.4° | 120.7° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | C10 | 120.0° | 119.9° |
| C12 | C11 | H14 | 120.0° | 120.1° |
| C11 | C12 | H15 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.3° |
| C12 | C13 | H1 | 119.8° | 119.9° |
| C13 | C12 | H15 | 120.2° | 119.9° |
| C11 | C10 | C09 | 118.3° | 120.1° |
| C11 | C10 | C15 | 120.7° | 119.7° |
| C10 | C11 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C13 | H1 | 119.8° | 119.8° |
| C13 | C14 | H16 | 120.0° | 119.9° |
| C21 | C22 | N23 | 120.7° | 120.8° |
| C22 | C21 | H5 | 120.0° | 120.4° |
| C21 | C22 | H6 | 119.6° | 119.6° |
| C19 | C24 | N23 | 121.2° | 120.8° |
| C19 | C24 | H7 | 119.4° | 119.6° |
| C09 | C10 | C15 | 120.9° | 120.1° |
| C10 | C09 | N08 | 122.2° | 119.7° |
| C10 | C15 | C14 | 119.4° | 119.9° |
| C10 | C15 | H2 | 120.3° | 120.0° |
| C14 | C15 | H2 | 120.3° | 120.1° |
| C15 | C14 | H16 | 120.0° | 120.0° |
| C09 | N08 | C07 | 119.9° | 121.7° |
| C06 | N05 | C04 | 120.4° | 120.0° |
| N05 | C06 | C07 | 126.4° | 120.4° |
| N05 | C04 | O38 | 120.1° | 120.0° |
| N05 | C04 | C02 | 123.4° | 120.0° |
| C06 | C07 | N08 | 121.5° | 120.8° |
| C06 | C07 | H13 | 119.2° | 119.6° |
| N08 | C07 | H13 | 119.2° | 119.6° |
| C22 | N23 | C24 | 120.9° | 121.7° |
| N23 | C22 | H6 | 119.6° | 119.7° |
| O38 | C04 | C02 | 115.3° | 120.0° |
| C04 | C02 | C01 | 110.6° | 109.4° |
| C04 | C02 | O03 | 107.8° | 109.4° |
| C04 | C02 | H12 | 110.0° | 109.5° |
| N23 | C24 | H7 | 119.4° | 119.6° |
| C01 | C02 | O03 | 104.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.4° | 109.4° |
| C01 | C02 | H12 | 110.8° | 109.5° |
| O03 | C02 | H12 | 113.1° | 109.5° |
| C02 | O03 | H29 | 109.5° | 114.0° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H20 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.4° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C30 | N27 | 119.9° | 120.0° |
| C29 | C28 | C30 | H8 | 119.1° | 120.1° |
| C29 | C28 | N27 | H8 | 120.0° | 120.0° |
| C29 | C28 | C30 | C31 | 70.6° | 80.3° |
| C29 | C28 | C30 | C36 | 109.5° | 100.0° |
| C29 | C28 | N27 | C26 | 173.7° | 84.9° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C29 | C28 | N27 | H28 | 6.3° | 95.0° |
| C30 | C28 | N27 | H8 | 120.4° | 119.9° |
| C28 | C30 | C31 | C36 | 179.8° | 179.7° |
| C28 | C30 | C31 | C32 | 180.0° | 180.0° |
| C30 | C28 | N27 | C26 | 66.8° | 155.0° |
| C28 | C30 | C36 | C35 | 179.9° | 179.8° |
| C30 | C28 | C29 | H21 | 180.0° | 60.0° |
| C30 | C28 | C29 | H22 | 60.0° | 180.0° |
| C30 | C28 | C29 | H23 | 60.0° | 60.0° |
| C28 | C30 | C31 | H24 | 0.1° | 0.0° |
| C28 | C30 | C36 | H27 | 0.1° | 0.0° |
| C30 | C28 | N27 | H28 | 113.2° | 25.1° |
| N27 | C28 | C30 | C31 | 49.2° | 39.8° |
| N27 | C28 | C30 | C36 | 130.6° | 140.0° |
| C28 | N27 | C26 | H28 | 180.0° | 179.9° |
| C28 | N27 | C26 | C18 | 178.5° | 175.1° |
| C28 | N27 | C26 | O37 | 1.8° | 5.0° |
| N27 | C28 | C29 | H21 | 59.9° | 180.0° |
| N27 | C28 | C29 | H22 | 60.2° | 60.0° |
| N27 | C28 | C29 | H23 | 179.8° | 60.0° |
| C30 | C31 | C32 | H24 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C36 | C35 | 0.1° | 0.5° |
| C31 | C30 | C28 | H8 | 170.2° | 159.7° |
| C30 | C31 | C32 | H25 | 179.9° | 180.0° |
| C31 | C30 | C36 | H27 | 179.9° | 179.7° |
| C32 | C31 | C30 | C36 | 0.2° | 0.3° |
| C31 | C32 | C33 | H25 | 180.0° | 180.0° |
| C31 | C32 | C33 | C35 | 0.0° | 0.0° |
| C31 | C32 | C33 | F34 | 179.7° | 180.0° |
| C30 | C36 | C35 | H27 | 180.0° | 179.7° |
| C30 | C36 | C35 | C33 | 0.0° | 0.5° |
| C36 | C30 | C28 | H8 | 9.6° | 20.0° |
| C36 | C30 | C31 | H24 | 179.8° | 179.7° |
| C30 | C36 | C35 | H26 | 180.0° | 179.7° |
| N27 | C26 | C18 | C25 | 5.9° | 83.4° |
| N27 | C26 | C18 | O37 | 176.6° | 179.9° |
| N27 | C26 | C18 | C19 | 114.0° | 156.6° |
| N27 | C26 | C18 | N05 | 130.3° | 36.6° |
| C26 | N27 | C28 | H8 | 53.6° | 35.1° |
| C32 | C33 | C35 | C36 | 0.1° | 0.2° |
| C32 | C33 | C35 | F34 | 179.7° | 180.0° |
| C33 | C32 | C31 | H24 | 179.8° | 180.0° |
| C32 | C33 | C35 | H26 | 179.9° | 180.0° |
| C36 | C35 | C33 | H26 | 180.0° | 179.8° |
| C36 | C35 | C33 | F34 | 179.8° | 179.8° |
| C35 | C33 | C32 | H25 | 180.0° | 180.0° |
| C33 | C35 | C36 | H27 | 180.0° | 179.8° |
| F34 | C33 | C32 | H25 | 0.3° | 0.0° |
| F34 | C33 | C35 | H26 | 0.2° | 0.0° |
| C25 | C18 | C26 | C19 | 119.9° | 120.0° |
| C25 | C18 | C26 | N05 | 124.3° | 119.9° |
| C25 | C18 | C26 | O37 | 177.5° | 96.7° |
| C25 | C18 | C19 | C20 | 18.9° | 60.0° |
| C25 | C18 | C19 | N05 | 123.8° | 120.0° |
| C25 | C18 | C19 | C24 | 162.8° | 120.1° |
| C25 | C18 | N05 | C06 | 100.8° | 7.3° |
| C25 | C18 | N05 | C04 | 73.3° | 172.8° |
| C18 | C25 | H18 | H19 | 120.0° | 119.9° |
| C18 | C25 | H18 | H20 | 120.0° | 120.1° |
| C18 | C25 | H19 | H20 | 120.0° | 120.0° |
| C26 | C18 | C19 | C20 | 98.7° | 59.9° |
| C26 | C18 | C19 | N05 | 118.6° | 120.1° |
| C26 | C18 | C19 | C24 | 79.5° | 120.0° |
| C26 | C18 | N05 | C06 | 23.8° | 127.2° |
| C26 | C18 | N05 | C04 | 162.0° | 52.9° |
| C26 | C18 | C25 | H18 | 180.0° | 62.5° |
| C26 | C18 | C25 | H19 | 60.0° | 177.5° |
| C26 | C18 | C25 | H20 | 60.0° | 57.6° |
| C18 | C26 | N27 | H28 | 1.6° | 4.8° |
| O37 | C26 | C18 | C19 | 62.6° | 23.2° |
| O37 | C26 | C18 | N05 | 53.2° | 143.3° |
| O37 | C26 | N27 | H28 | 178.2° | 175.1° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 179.4° | 180.0° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 1.2° | 0.1° |
| C20 | C21 | C22 | N23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H6 | 179.9° | 180.0° |
| C20 | C19 | C18 | C24 | 178.2° | 179.9° |
| C20 | C19 | C18 | N05 | 142.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C24 | N23 | 1.1° | 0.0° |
| C19 | C20 | C21 | H5 | 179.3° | 179.9° |
| C20 | C19 | C24 | H7 | 178.9° | 180.0° |
| C19 | C18 | N05 | C06 | 133.3° | 112.7° |
| C19 | C18 | N05 | C04 | 52.6° | 67.2° |
| C18 | C19 | C24 | N23 | 179.3° | 179.9° |
| C18 | C19 | C20 | H4 | 0.6° | 0.2° |
| C18 | C19 | C24 | H7 | 0.7° | 0.1° |
| C19 | C18 | C25 | H18 | 69.3° | 57.5° |
| C19 | C18 | C25 | H19 | 170.7° | 62.5° |
| C19 | C18 | C25 | H20 | 50.7° | 177.6° |
| C18 | N05 | C06 | C17 | 81.4° | 69.2° |
| N05 | C18 | C19 | C24 | 39.0° | 0.1° |
| C18 | N05 | C06 | C04 | 174.2° | 179.9° |
| C18 | N05 | C06 | C07 | 99.1° | 110.8° |
| C18 | N05 | C04 | O38 | 7.5° | 4.9° |
| C18 | N05 | C04 | C02 | 174.4° | 175.2° |
| N05 | C18 | C25 | H18 | 54.1° | 177.5° |
| N05 | C18 | C25 | H19 | 65.9° | 57.6° |
| N05 | C18 | C25 | H20 | 174.1° | 62.4° |
| C17 | C16 | C09 | H17 | 180.0° | 179.9° |
| C16 | C17 | C06 | H3 | 180.0° | 179.8° |
| C17 | C16 | C09 | C10 | 179.6° | 179.7° |
| C17 | C16 | C09 | N08 | 0.6° | 0.6° |
| C16 | C17 | C06 | N05 | 179.6° | 179.8° |
| C16 | C17 | C06 | C07 | 0.1° | 0.2° |
| C09 | C16 | C17 | C06 | 0.1° | 0.1° |
| C16 | C09 | C10 | C11 | 34.9° | 0.6° |
| C16 | C09 | C10 | N08 | 179.0° | 179.1° |
| C16 | C09 | C10 | C15 | 143.5° | 179.2° |
| C16 | C09 | N08 | C07 | 1.0° | 0.8° |
| C09 | C16 | C17 | H3 | 179.9° | 179.7° |
| C17 | C06 | N05 | C07 | 179.5° | 180.0° |
| C17 | C06 | N05 | C04 | 92.7° | 110.7° |
| C17 | C06 | C07 | N08 | 0.5° | 0.0° |
| C17 | C06 | C07 | H13 | 179.5° | 180.0° |
| C06 | C17 | C16 | H17 | 179.9° | 180.0° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | C09 | 179.4° | 180.0° |
| C12 | C11 | C10 | C15 | 1.0° | 0.3° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C13 | C12 | C11 | H14 | 179.4° | 179.9° |
| C12 | C13 | C14 | H16 | 179.7° | 180.0° |
| C11 | C10 | C09 | C15 | 178.4° | 179.8° |
| C11 | C10 | C15 | C14 | 0.7° | 0.3° |
| C11 | C10 | C09 | N08 | 146.1° | 179.7° |
| C11 | C10 | C15 | H2 | 179.3° | 179.7° |
| C10 | C11 | C12 | H15 | 179.4° | 180.0° |
| C13 | C14 | C15 | C10 | 0.1° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 179.7° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C14 | C13 | C12 | H15 | 180.0° | 179.7° |
| C21 | C22 | N23 | H6 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 0.0° | 0.0° |
| C22 | C21 | C20 | H4 | 179.3° | 179.7° |
| C19 | C24 | N23 | C22 | 0.5° | 0.0° |
| C19 | C24 | N23 | H7 | 180.0° | 180.0° |
| C24 | C19 | C20 | H4 | 178.8° | 179.7° |
| C09 | C10 | C15 | C14 | 179.1° | 180.0° |
| C10 | C09 | N08 | C07 | 179.9° | 179.9° |
| C09 | C10 | C15 | H2 | 0.9° | 0.1° |
| C09 | C10 | C11 | H14 | 0.6° | 0.0° |
| C10 | C09 | C16 | H17 | 0.4° | 0.4° |
| C10 | C15 | C14 | H2 | 180.0° | 180.0° |
| C15 | C10 | C09 | N08 | 35.5° | 0.0° |
| C15 | C10 | C11 | H14 | 179.0° | 179.8° |
| C10 | C15 | C14 | H16 | 179.9° | 179.7° |
| C15 | C14 | C13 | H1 | 179.7° | 179.9° |
| C09 | N08 | C07 | C06 | 0.9° | 0.5° |
| C09 | N08 | C07 | H13 | 179.1° | 179.4° |
| N08 | C09 | C16 | H17 | 179.4° | 179.5° |
| N05 | C06 | C07 | N08 | 179.9° | 180.0° |
| C06 | N05 | C04 | O38 | 178.5° | 175.2° |
| C06 | N05 | C04 | C02 | 11.6° | 4.7° |
| N05 | C06 | C17 | H3 | 0.4° | 0.0° |
| N05 | C06 | C07 | H13 | 0.1° | 0.0° |
| C04 | N05 | C06 | C07 | 86.7° | 69.3° |
| N05 | C04 | O38 | C02 | 167.9° | 179.9° |
| N05 | C04 | C02 | C01 | 65.1° | 69.7° |
| N05 | C04 | C02 | O03 | 178.7° | 170.3° |
| N05 | C04 | C02 | H12 | 57.7° | 50.3° |
| C06 | C07 | N08 | H13 | 180.0° | 179.9° |
| C07 | C06 | C17 | H3 | 179.9° | 180.0° |
| N23 | C22 | C21 | H5 | 179.9° | 180.0° |
| C22 | N23 | C24 | H7 | 179.5° | 180.0° |
| O38 | C04 | C02 | C01 | 127.4° | 110.3° |
| O38 | C04 | C02 | O03 | 13.9° | 9.6° |
| O38 | C04 | C02 | H12 | 109.8° | 129.6° |
| C04 | C02 | C01 | O03 | 115.7° | 120.0° |
| C04 | C02 | C01 | H12 | 122.3° | 120.0° |
| C04 | C02 | O03 | H12 | 121.8° | 120.0° |
| C04 | C02 | C01 | H9 | 180.0° | 175.6° |
| C04 | C02 | C01 | H10 | 60.0° | 55.6° |
| C04 | C02 | C01 | H11 | 60.0° | 64.4° |
| C04 | C02 | O03 | H29 | 6.3° | 60.0° |
| C24 | N23 | C22 | H6 | 180.0° | 180.0° |
| C01 | C02 | O03 | H12 | 120.5° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 119.9° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | O03 | H29 | 124.0° | 60.0° |
| O03 | C02 | C01 | H9 | 64.3° | 64.4° |
| O03 | C02 | C01 | H10 | 175.7° | 175.5° |
| O03 | C02 | C01 | H11 | 55.7° | 55.5° |
| H1 | C13 | C12 | H15 | 0.0° | 0.1° |
| H1 | C13 | C14 | H16 | 0.3° | 0.3° |
| H2 | C15 | C14 | H16 | 0.1° | 0.3° |
| H3 | C17 | C16 | H17 | 0.1° | 0.2° |
| H4 | C20 | C21 | H5 | 0.7° | 0.3° |
| H5 | C21 | C22 | H6 | 0.1° | 0.0° |
| H8 | C28 | C29 | H21 | 60.8° | 60.0° |
| H8 | C28 | C29 | H22 | 179.2° | 60.0° |
| H8 | C28 | C29 | H23 | 59.2° | 180.0° |
| H8 | C28 | N27 | H28 | 126.4° | 145.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 57.7° | 55.6° |
| H10 | C01 | C02 | H12 | 62.3° | 64.4° |
| H11 | C01 | C02 | H12 | 177.7° | 175.6° |
| H12 | C02 | O03 | H29 | 115.5° | 180.0° |
| H14 | C11 | C12 | H15 | 0.6° | 0.1° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
| H24 | C31 | C32 | H25 | 0.2° | 0.0° |
| H26 | C35 | C36 | H27 | 0.0° | 0.0° |
