A1I07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| O32 | C21 | sing | 1.36Å | 1.36Å | |
| CL31 | C20 | sing | 1.74Å | 1.72Å | |
| C29 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C12 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C33 | C22 | sing | 1.51Å | 1.58Å | |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C30 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | N34 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C11 | O10 | sing | 1.43Å | 1.47Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| N34 | C39 | sing | 1.47Å | 1.48Å | |
| C39 | C38 | sing | 1.53Å | 1.56Å | |
| C23 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| O10 | C4 | sing | 1.35Å | 1.34Å | |
| C13 | O14 | doub | 1.21Å | 1.25Å | |
| C13 | O15 | sing | 1.34Å | 1.25Å | |
| C18 | C9 | sing | 1.48Å | 1.44Å | |
| C36 | N37 | sing | 1.47Å | 1.50Å | |
| N37 | C38 | sing | 1.47Å | 1.52Å | |
| N37 | C40 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C5 | sing | 1.46Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C8 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C8 | S7 | sing | 1.75Å | 1.71Å | Aromatic |
| C6 | S7 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | N3 | doub | 1.34Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.31Å | 1.34Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C35 | H6 | sing | 1.09Å | 1.10Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C40 | H11 | sing | 1.09Å | 1.10Å | |
| C40 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| O15 | H30 | sing | 0.97Å | 0.95Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 118.4° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H5 | 119.9° | 120.0° |
| C28 | C27 | H34 | 120.8° | 120.1° |
| C27 | C26 | C25 | 122.0° | 120.0° |
| C27 | C26 | H4 | 119.0° | 120.0° |
| C26 | C27 | H34 | 120.8° | 120.0° |
| C28 | C29 | C24 | 120.9° | 120.0° |
| C29 | C28 | H5 | 120.0° | 120.0° |
| C28 | C29 | H35 | 119.6° | 120.0° |
| C26 | C25 | C24 | 118.1° | 120.0° |
| C25 | C26 | H4 | 119.0° | 120.0° |
| C26 | C25 | H33 | 121.0° | 120.0° |
| O32 | C21 | C20 | 119.1° | 119.9° |
| O32 | C21 | C22 | 120.3° | 120.0° |
| C21 | O32 | H22 | 109.5° | 114.1° |
| CL31 | C20 | C21 | 117.4° | 120.0° |
| CL31 | C20 | C19 | 121.0° | 120.0° |
| C29 | C24 | C25 | 120.5° | 120.0° |
| C29 | C24 | C12 | 120.7° | 120.0° |
| C24 | C29 | H35 | 119.5° | 120.0° |
| C25 | C24 | C12 | 118.8° | 120.0° |
| C24 | C25 | H33 | 120.9° | 119.9° |
| C24 | C12 | C11 | 115.2° | 109.5° |
| C24 | C12 | H31 | 108.0° | 109.5° |
| C24 | C12 | H32 | 108.1° | 109.5° |
| C20 | C21 | C22 | 120.6° | 120.1° |
| C21 | C20 | C19 | 121.5° | 120.0° |
| C21 | C22 | C33 | 119.2° | 119.9° |
| C21 | C22 | C23 | 116.7° | 120.1° |
| C20 | C19 | C30 | 117.9° | 120.0° |
| C20 | C19 | C18 | 121.1° | 119.9° |
| C12 | C11 | O10 | 105.2° | 109.5° |
| C12 | C11 | C13 | 112.8° | 109.5° |
| C12 | C11 | H29 | 108.6° | 109.4° |
| C11 | C12 | H31 | 108.0° | 109.5° |
| C11 | C12 | H32 | 108.0° | 109.5° |
| C22 | C33 | N34 | 112.5° | 109.4° |
| C33 | C22 | C23 | 124.1° | 119.9° |
| C22 | C33 | H19 | 108.7° | 109.5° |
| C22 | C33 | H20 | 108.7° | 109.5° |
| C33 | N34 | C35 | 101.7° | 111.0° |
| C33 | N34 | C39 | 117.3° | 111.0° |
| N34 | C33 | H19 | 108.7° | 109.5° |
| N34 | C33 | H20 | 108.7° | 109.5° |
| C22 | C23 | C18 | 124.0° | 119.9° |
| C22 | C23 | H21 | 118.0° | 120.0° |
| C30 | C19 | C18 | 120.8° | 120.1° |
| C19 | C30 | H23 | 109.5° | 109.5° |
| C19 | C30 | H24 | 109.4° | 109.5° |
| C19 | C30 | H25 | 109.4° | 109.5° |
| C19 | C18 | C23 | 116.0° | 119.9° |
| C19 | C18 | C9 | 123.1° | 120.0° |
| N34 | C35 | C36 | 111.8° | 109.3° |
| C35 | N34 | C39 | 110.1° | 110.9° |
| N34 | C35 | H6 | 108.9° | 109.5° |
| N34 | C35 | H7 | 108.9° | 109.5° |
| C35 | C36 | N37 | 110.6° | 109.4° |
| C36 | C35 | H6 | 108.9° | 109.5° |
| C36 | C35 | H7 | 108.9° | 109.5° |
| C35 | C36 | H8 | 109.2° | 109.5° |
| C35 | C36 | H9 | 109.2° | 109.5° |
| O10 | C11 | C13 | 111.6° | 109.5° |
| C11 | O10 | C4 | 116.4° | 117.0° |
| O10 | C11 | H29 | 109.6° | 109.5° |
| C11 | C13 | O14 | 119.5° | 119.9° |
| C11 | C13 | O15 | 118.2° | 120.0° |
| C13 | C11 | H29 | 109.0° | 109.5° |
| N34 | C39 | C38 | 105.9° | 109.4° |
| N34 | C39 | H16 | 110.4° | 109.5° |
| N34 | C39 | H17 | 110.4° | 109.5° |
| C39 | C38 | N37 | 113.0° | 109.4° |
| C39 | C38 | H14 | 108.6° | 109.5° |
| C39 | C38 | H15 | 108.6° | 109.4° |
| C38 | C39 | H16 | 110.3° | 109.4° |
| C38 | C39 | H17 | 110.4° | 109.5° |
| C23 | C18 | C9 | 120.7° | 120.1° |
| C18 | C23 | H21 | 118.0° | 120.0° |
| O10 | C4 | C5 | 117.1° | 120.5° |
| O10 | C4 | N1 | 121.6° | 120.5° |
| O14 | C13 | O15 | 120.9° | 120.0° |
| C13 | O15 | H30 | 109.5° | 117.0° |
| C18 | C9 | C5 | 128.6° | 122.8° |
| C18 | C9 | C8 | 118.9° | 122.8° |
| C36 | N37 | C38 | 113.5° | 110.9° |
| C36 | N37 | C40 | 106.5° | 111.0° |
| N37 | C36 | H8 | 109.2° | 109.5° |
| N37 | C36 | H9 | 109.2° | 109.5° |
| C38 | N37 | C40 | 114.6° | 111.0° |
| N37 | C38 | H14 | 108.6° | 109.5° |
| N37 | C38 | H15 | 108.6° | 109.5° |
| N37 | C40 | H11 | 109.5° | 109.5° |
| N37 | C40 | H12 | 109.5° | 109.5° |
| N37 | C40 | H13 | 109.5° | 109.5° |
| C5 | C4 | N1 | 121.3° | 119.0° |
| C4 | C5 | C9 | 131.0° | 130.3° |
| C4 | C5 | C6 | 114.5° | 117.7° |
| C4 | N1 | C2 | 121.7° | 121.2° |
| C5 | C9 | C8 | 112.4° | 114.4° |
| C9 | C5 | C6 | 114.0° | 112.0° |
| C9 | C8 | C16 | 128.3° | 124.3° |
| C9 | C8 | S7 | 109.3° | 111.4° |
| C5 | C6 | S7 | 108.2° | 109.9° |
| C5 | C6 | N3 | 121.4° | 119.0° |
| N1 | C2 | N3 | 118.7° | 122.1° |
| N1 | C2 | H28 | 120.7° | 119.0° |
| C8 | C16 | C17 | 107.9° | 109.5° |
| C16 | C8 | S7 | 122.4° | 124.3° |
| C8 | C16 | H26 | 109.9° | 109.5° |
| C8 | C16 | H27 | 109.8° | 109.5° |
| C16 | C17 | H1 | 109.5° | 109.5° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C17 | C16 | H26 | 109.9° | 109.5° |
| C17 | C16 | H27 | 109.9° | 109.5° |
| C8 | S7 | C6 | 95.8° | 92.4° |
| S7 | C6 | N3 | 130.2° | 131.1° |
| C6 | N3 | C2 | 122.2° | 121.0° |
| N3 | C2 | H28 | 120.6° | 118.9° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H6 | C35 | H7 | 109.5° | 109.5° |
| H8 | C36 | H9 | 109.5° | 109.5° |
| H11 | C40 | H12 | 109.5° | 109.5° |
| H11 | C40 | H13 | 109.4° | 109.4° |
| H12 | C40 | H13 | 109.4° | 109.5° |
| H14 | C38 | H15 | 109.5° | 109.5° |
| H16 | C39 | H17 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H31 | C12 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H34 | 180.0° | 179.7° |
| C27 | C28 | C29 | H5 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 1.7° | 0.3° |
| C27 | C28 | C29 | C24 | 2.7° | NaN° |
| C28 | C27 | C26 | H4 | 178.4° | 179.8° |
| C27 | C28 | C29 | H35 | 177.3° | 179.9° |
| C26 | C27 | C28 | C29 | 1.2° | 0.3° |
| C27 | C26 | C25 | H4 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 2.9° | 0.0° |
| C26 | C27 | C28 | H5 | 178.8° | 179.7° |
| C27 | C26 | C25 | H33 | 177.1° | 180.0° |
| C28 | C29 | C24 | H35 | 180.0° | 179.9° |
| C28 | C29 | C24 | C25 | 1.5° | 0.2° |
| C28 | C29 | C24 | C12 | 178.7° | 179.9° |
| C29 | C28 | C27 | H34 | 178.8° | 180.0° |
| C26 | C25 | C24 | C29 | 1.3° | 0.2° |
| C26 | C25 | C24 | H33 | 180.0° | 180.0° |
| C26 | C25 | C24 | C12 | 178.6° | 180.0° |
| C25 | C26 | C27 | H34 | 178.3° | 180.0° |
| O32 | C21 | C20 | CL31 | 0.2° | 0.3° |
| O32 | C21 | C20 | C22 | 178.6° | 180.0° |
| O32 | C21 | C20 | C19 | 178.9° | 180.0° |
| O32 | C21 | C22 | C33 | 0.8° | 0.0° |
| O32 | C21 | C22 | C23 | 179.2° | 180.0° |
| CL31 | C20 | C21 | C19 | 178.8° | 179.7° |
| CL31 | C20 | C21 | C22 | 178.4° | 179.7° |
| CL31 | C20 | C19 | C30 | 2.7° | 0.3° |
| CL31 | C20 | C19 | C18 | 178.4° | 179.7° |
| C29 | C24 | C25 | C12 | 179.9° | 179.8° |
| C29 | C24 | C12 | C11 | 105.2° | 93.6° |
| C24 | C29 | C28 | H5 | 177.2° | 179.9° |
| C29 | C24 | C12 | H31 | 15.7° | 26.4° |
| C29 | C24 | C12 | H32 | 134.0° | 146.3° |
| C29 | C24 | C25 | H33 | 178.7° | 179.7° |
| C25 | C24 | C12 | C11 | 74.7° | 86.6° |
| C24 | C25 | C26 | H4 | 177.1° | 180.0° |
| C25 | C24 | C12 | H31 | 164.4° | 153.4° |
| C25 | C24 | C12 | H32 | 46.1° | 33.5° |
| C25 | C24 | C29 | H35 | 178.5° | 179.7° |
| C24 | C12 | C11 | H31 | 120.9° | 120.0° |
| C24 | C12 | C11 | H32 | 120.9° | 120.0° |
| C24 | C12 | C11 | O10 | 70.6° | 65.6° |
| C24 | C12 | C11 | C13 | 167.6° | 174.3° |
| C24 | C12 | C11 | H29 | 46.7° | 54.3° |
| C24 | C12 | H31 | H32 | 117.4° | 120.0° |
| C12 | C24 | C25 | H33 | 1.4° | 0.1° |
| C12 | C24 | C29 | H35 | 1.3° | 0.1° |
| C20 | C21 | C22 | C33 | 177.8° | 179.9° |
| C20 | C21 | C22 | C23 | 2.2° | 0.0° |
| C21 | C20 | C19 | C30 | 178.6° | 180.0° |
| C21 | C20 | C19 | C18 | 2.9° | 0.0° |
| C20 | C21 | O32 | H22 | 180.0° | 90.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C33 | C23 | 179.9° | 180.0° |
| C21 | C22 | C33 | N34 | 179.5° | 74.4° |
| C21 | C22 | C23 | C18 | 1.0° | 0.0° |
| C21 | C22 | C33 | H19 | 59.0° | 165.6° |
| C21 | C22 | C33 | H20 | 60.1° | 45.6° |
| C21 | C22 | C23 | H21 | 179.0° | 180.0° |
| C22 | C21 | O32 | H22 | 1.4° | 90.0° |
| C20 | C19 | C30 | C18 | 175.7° | 180.0° |
| C20 | C19 | C18 | C23 | 3.9° | 0.0° |
| C20 | C19 | C18 | C9 | 179.1° | 180.0° |
| C20 | C19 | C30 | H23 | 92.0° | 93.4° |
| C20 | C19 | C30 | H24 | 148.0° | 146.7° |
| C20 | C19 | C30 | H25 | 28.0° | 26.7° |
| C12 | C11 | O10 | C13 | 122.6° | 120.0° |
| C12 | C11 | O10 | H29 | 116.6° | 119.9° |
| C12 | C11 | C13 | H29 | 120.7° | 120.0° |
| C12 | C11 | O10 | C4 | 165.9° | 155.2° |
| C12 | C11 | C13 | O14 | 88.0° | 115.0° |
| C12 | C11 | C13 | O15 | 105.5° | 65.0° |
| C11 | C12 | H31 | H32 | 117.4° | 120.0° |
| C22 | C33 | N34 | H19 | 120.4° | 120.0° |
| C22 | C33 | N34 | H20 | 120.5° | 120.0° |
| C22 | C33 | N34 | C35 | 88.9° | 164.0° |
| C22 | C33 | N34 | C39 | 151.0° | 72.2° |
| C33 | C22 | C23 | C18 | 178.9° | 179.9° |
| C22 | C33 | H19 | H20 | 118.6° | 120.0° |
| C33 | C22 | C23 | H21 | 1.1° | 0.0° |
| N34 | C33 | C22 | C23 | 0.5° | 105.6° |
| C33 | N34 | C35 | C39 | 125.0° | 123.9° |
| C33 | N34 | C35 | C36 | 170.7° | 176.8° |
| C33 | N34 | C39 | C38 | 179.9° | 176.8° |
| C33 | N34 | C35 | H6 | 69.0° | 56.8° |
| C33 | N34 | C35 | H7 | 50.3° | 63.2° |
| C33 | N34 | C39 | H16 | 60.6° | 63.3° |
| C33 | N34 | C39 | H17 | 60.5° | 56.8° |
| N34 | C33 | H19 | H20 | 118.6° | 120.0° |
| C22 | C23 | C18 | C19 | 2.0° | 0.0° |
| C22 | C23 | C18 | H21 | 180.0° | 180.0° |
| C22 | C23 | C18 | C9 | 177.3° | 180.0° |
| C23 | C22 | C33 | H19 | 120.9° | 14.3° |
| C23 | C22 | C33 | H20 | 120.0° | 134.4° |
| C30 | C19 | C18 | C23 | 179.4° | 180.0° |
| C30 | C19 | C18 | C9 | 5.4° | 0.0° |
| C19 | C30 | H23 | H24 | 120.0° | 120.0° |
| C19 | C30 | H23 | H25 | 120.0° | 120.1° |
| C19 | C30 | H24 | H25 | 120.0° | 120.0° |
| C19 | C18 | C23 | C9 | 175.3° | 180.0° |
| C19 | C18 | C9 | C5 | 109.5° | 93.6° |
| C19 | C18 | C9 | C8 | 74.3° | 86.4° |
| C19 | C18 | C23 | H21 | 178.0° | 180.0° |
| C18 | C19 | C30 | H23 | 92.3° | 86.7° |
| C18 | C19 | C30 | H24 | 27.7° | 33.3° |
| C18 | C19 | C30 | H25 | 147.7° | 153.3° |
| N34 | C35 | C36 | H6 | 120.3° | 120.0° |
| N34 | C35 | C36 | H7 | 120.3° | 120.0° |
| C35 | N34 | C39 | C38 | 64.4° | 59.3° |
| N34 | C35 | C36 | N37 | 52.5° | 58.4° |
| N34 | C35 | H6 | H7 | 119.0° | 120.1° |
| N34 | C35 | C36 | H8 | 172.6° | 178.4° |
| N34 | C35 | C36 | H9 | 67.7° | 61.6° |
| C35 | N34 | C39 | H16 | 176.2° | 60.6° |
| C35 | N34 | C39 | H17 | 55.0° | 179.4° |
| C35 | N34 | C33 | H19 | 150.6° | 76.1° |
| C35 | N34 | C33 | H20 | 31.5° | 43.9° |
| C36 | C35 | N34 | C39 | 64.3° | 59.3° |
| C35 | C36 | N37 | H8 | 120.2° | 120.0° |
| C35 | C36 | N37 | H9 | 120.1° | 120.0° |
| C35 | C36 | N37 | C38 | 45.5° | 59.3° |
| C35 | C36 | N37 | C40 | 172.6° | 176.8° |
| C36 | C35 | H6 | H7 | 118.9° | 120.1° |
| C35 | C36 | H8 | H9 | 119.5° | 120.0° |
| O10 | C11 | C13 | H29 | 121.1° | 120.0° |
| O10 | C11 | C13 | O14 | 153.9° | 5.0° |
| O10 | C11 | C13 | O15 | 12.6° | 175.0° |
| C11 | O10 | C4 | C5 | 176.4° | 175.7° |
| C11 | O10 | C4 | N1 | 2.8° | 4.2° |
| O10 | C11 | C12 | H31 | 50.3° | 54.4° |
| O10 | C11 | C12 | H32 | 168.6° | 174.3° |
| C13 | C11 | O10 | C4 | 71.5° | 84.8° |
| C11 | C13 | O14 | O15 | 166.2° | 180.0° |
| C11 | C13 | O15 | H30 | 166.3° | 180.0° |
| C13 | C11 | C12 | H31 | 71.6° | 65.7° |
| C13 | C11 | C12 | H32 | 46.7° | 54.3° |
| N34 | C39 | C38 | H16 | 119.4° | 119.9° |
| N34 | C39 | C38 | H17 | 119.5° | 120.1° |
| N34 | C39 | C38 | N37 | 57.8° | 58.3° |
| C39 | N34 | C35 | H6 | 56.0° | 179.3° |
| C39 | N34 | C35 | H7 | 175.3° | 60.6° |
| N34 | C39 | C38 | H14 | 62.8° | 178.4° |
| N34 | C39 | C38 | H15 | 178.3° | 61.6° |
| N34 | C39 | H16 | H17 | 121.7° | 120.1° |
| C39 | N34 | C33 | H19 | 30.6° | 47.7° |
| C39 | N34 | C33 | H20 | 88.5° | 167.7° |
| C39 | C38 | N37 | C36 | 50.1° | 59.3° |
| C39 | C38 | N37 | H14 | 120.5° | 120.0° |
| C39 | C38 | N37 | H15 | 120.5° | 119.9° |
| C39 | C38 | N37 | C40 | 172.9° | 176.8° |
| C39 | C38 | H14 | H15 | 118.4° | 120.0° |
| C38 | C39 | H16 | H17 | 121.6° | 120.0° |
| C23 | C18 | C9 | C5 | 75.5° | 86.3° |
| C23 | C18 | C9 | C8 | 100.7° | 93.6° |
| O10 | C4 | C5 | N1 | 179.2° | 180.0° |
| O10 | C4 | C5 | C9 | 3.6° | 0.1° |
| O10 | C4 | C5 | C6 | 175.3° | 180.0° |
| O10 | C4 | N1 | C2 | 177.2° | 180.0° |
| C4 | O10 | C11 | H29 | 49.3° | 35.2° |
| O14 | C13 | C11 | H29 | 32.8° | 125.0° |
| O14 | C13 | O15 | H30 | 0.0° | 0.1° |
| O15 | C13 | C11 | H29 | 133.8° | 55.0° |
| C18 | C9 | C5 | C4 | 7.8° | 0.1° |
| C18 | C9 | C5 | C8 | 176.4° | 179.9° |
| C18 | C9 | C5 | C6 | 179.5° | 180.0° |
| C18 | C9 | C8 | C16 | 0.0° | 0.0° |
| C18 | C9 | C8 | S7 | 177.3° | 180.0° |
| C9 | C18 | C23 | H21 | 2.7° | 0.0° |
| C36 | N37 | C38 | C40 | 122.7° | 123.9° |
| N37 | C36 | C35 | H6 | 67.9° | 178.4° |
| N37 | C36 | C35 | H7 | 172.8° | 61.5° |
| N37 | C36 | H8 | H9 | 119.5° | 120.1° |
| C36 | N37 | C40 | H11 | 180.0° | 60.0° |
| C36 | N37 | C40 | H12 | 60.0° | 180.0° |
| C36 | N37 | C40 | H13 | 60.0° | 60.0° |
| C36 | N37 | C38 | H14 | 70.4° | 179.3° |
| C36 | N37 | C38 | H15 | 170.7° | 60.6° |
| C38 | N37 | C36 | H8 | 165.7° | 179.3° |
| C38 | N37 | C36 | H9 | 74.6° | 60.7° |
| C38 | N37 | C40 | H11 | 53.5° | 63.9° |
| C38 | N37 | C40 | H12 | 173.6° | 56.1° |
| C38 | N37 | C40 | H13 | 66.5° | 176.2° |
| N37 | C38 | H14 | H15 | 118.4° | 120.1° |
| N37 | C38 | C39 | H16 | 177.2° | 61.6° |
| N37 | C38 | C39 | H17 | 61.7° | 178.4° |
| C40 | N37 | C36 | H8 | 67.2° | 56.8° |
| C40 | N37 | C36 | H9 | 52.5° | 63.2° |
| N37 | C40 | H11 | H12 | 120.0° | 120.0° |
| N37 | C40 | H11 | H13 | 120.0° | 120.0° |
| N37 | C40 | H12 | H13 | 120.0° | 120.0° |
| C40 | N37 | C38 | H14 | 52.3° | 56.8° |
| C40 | N37 | C38 | H15 | 66.6° | 63.3° |
| C4 | C5 | C9 | C6 | 171.7° | 179.9° |
| C4 | C5 | C9 | C8 | 175.8° | 180.0° |
| C5 | C4 | N1 | C2 | 3.6° | 0.1° |
| C4 | C5 | C6 | S7 | 178.7° | 180.0° |
| C4 | C5 | C6 | N3 | 5.8° | 0.0° |
| N1 | C4 | C5 | C9 | 177.2° | 180.0° |
| N1 | C4 | C5 | C6 | 5.5° | 0.1° |
| C4 | N1 | C2 | N3 | 1.5° | 0.1° |
| C4 | N1 | C2 | H28 | 178.5° | 180.0° |
| C5 | C9 | C8 | C16 | 176.8° | 180.0° |
| C5 | C9 | C8 | S7 | 0.5° | 0.0° |
| C9 | C5 | C6 | S7 | 5.6° | 0.0° |
| C9 | C5 | C6 | N3 | 179.0° | 180.0° |
| C8 | C9 | C5 | C6 | 4.0° | 0.0° |
| C9 | C8 | C16 | S7 | 177.0° | 180.0° |
| C9 | C8 | C16 | C17 | 138.9° | 90.0° |
| C9 | C8 | S7 | C6 | 2.4° | 0.0° |
| C9 | C8 | C16 | H26 | 101.4° | 150.0° |
| C9 | C8 | C16 | H27 | 19.1° | 30.0° |
| C5 | C6 | S7 | C8 | 4.5° | 0.0° |
| C5 | C6 | S7 | N3 | 174.9° | 180.0° |
| C5 | C6 | N3 | C2 | 4.2° | 0.0° |
| N1 | C2 | N3 | C6 | 1.8° | 0.1° |
| N1 | C2 | N3 | H28 | 180.0° | 179.9° |
| C8 | C16 | C17 | H26 | 119.7° | 120.0° |
| C8 | C16 | C17 | H27 | 119.7° | 120.0° |
| C16 | C8 | S7 | C6 | 179.9° | 180.0° |
| C8 | C16 | C17 | H1 | 180.0° | 60.0° |
| C8 | C16 | C17 | H2 | 60.0° | 180.0° |
| C8 | C16 | C17 | H3 | 60.0° | 60.0° |
| C8 | C16 | H26 | H27 | 120.7° | 120.0° |
| C17 | C16 | C8 | S7 | 38.1° | 90.0° |
| C16 | C17 | H1 | H2 | 120.0° | 120.0° |
| C16 | C17 | H1 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C16 | H26 | H27 | 120.8° | 120.0° |
| C8 | S7 | C6 | N3 | 179.4° | 180.0° |
| S7 | C8 | C16 | H26 | 81.6° | 30.0° |
| S7 | C8 | C16 | H27 | 157.9° | 150.0° |
| S7 | C6 | N3 | C2 | 178.5° | 180.0° |
| C6 | N3 | C2 | H28 | 178.2° | 180.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | C16 | H26 | 60.3° | 60.0° |
| H1 | C17 | C16 | H27 | 60.3° | NaN° |
| H2 | C17 | C16 | H26 | 179.8° | 60.0° |
| H2 | C17 | C16 | H27 | 59.7° | 60.0° |
| H3 | C17 | C16 | H26 | 59.8° | 180.0° |
| H3 | C17 | C16 | H27 | 179.7° | 60.0° |
| H4 | C26 | C25 | H33 | 2.9° | 0.0° |
| H4 | C26 | C27 | H34 | 1.6° | 0.0° |
| H5 | C28 | C27 | H34 | 1.2° | 0.1° |
| H5 | C28 | C29 | H35 | 2.8° | 0.0° |
| H6 | C35 | C36 | H8 | 52.3° | 61.7° |
| H6 | C35 | C36 | H9 | 172.0° | 58.4° |
| H7 | C35 | C36 | H8 | 67.0° | 58.4° |
| H7 | C35 | C36 | H9 | 52.7° | 178.4° |
| H11 | C40 | H12 | H13 | 119.9° | 119.9° |
| H14 | C38 | C39 | H16 | 56.7° | 58.4° |
| H14 | C38 | C39 | H17 | 177.8° | 61.6° |
| H15 | C38 | C39 | H16 | 62.3° | 178.5° |
| H15 | C38 | C39 | H17 | 58.8° | 58.4° |
| H23 | C30 | H24 | H25 | 120.0° | 119.9° |
| H29 | C11 | C12 | H31 | 167.5° | 174.3° |
| H29 | C11 | C12 | H32 | 74.2° | 65.7° |
