A1DI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.54Å | 1.53Å | |
| C14 | N4 | sing | 1.48Å | 1.47Å | |
| C18 | N6 | sing | 1.47Å | 1.48Å | |
| C13 | N5 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.54Å | 1.53Å | |
| C20 | N6 | sing | 1.35Å | 1.34Å | |
| C20 | O1 | doub | 1.21Å | 1.23Å | |
| N5 | C16 | sing | 1.47Å | 1.47Å | |
| N4 | C12 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.39Å | 1.33Å | |
| N6 | C17 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C2 | sing | 1.53Å | 1.54Å | |
| N1 | C7 | sing | 1.39Å | 1.40Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C7 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C29 | O2 | sing | 1.43Å | 1.44Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| N3 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| O2 | C30 | sing | 1.43Å | 1.44Å | |
| C31 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| F1 | C11 | sing | 1.40Å | 1.33Å | |
| C27 | O3 | sing | 1.43Å | 1.43Å | |
| C27 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C23 | sing | 1.51Å | 1.54Å | |
| C11 | F3 | sing | 1.40Å | 1.33Å | |
| C11 | F2 | sing | 1.40Å | 1.33Å | |
| C1 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N5 | 113.2° | 109.3° |
| C19 | C18 | N6 | 112.6° | 108.5° |
| C18 | C19 | H31 | 108.5° | 109.5° |
| C18 | C19 | H32 | 108.5° | 109.5° |
| C19 | C18 | H33 | 108.7° | 109.6° |
| C19 | C18 | H34 | 108.7° | 109.6° |
| C19 | N5 | C13 | 107.5° | 111.0° |
| C19 | N5 | C16 | 110.3° | 111.2° |
| N5 | C19 | H31 | 108.5° | 109.4° |
| N5 | C19 | H32 | 108.6° | 109.5° |
| C22 | C21 | C20 | 119.9° | 109.5° |
| C22 | C21 | H39 | 106.8° | 109.5° |
| C22 | C21 | H40 | 106.8° | 109.4° |
| C21 | C22 | H41 | 109.5° | 109.5° |
| C21 | C22 | H42 | 109.5° | 109.4° |
| C21 | C22 | H43 | 109.4° | 109.5° |
| C21 | C20 | N6 | 120.7° | 119.9° |
| C21 | C20 | O1 | 118.9° | 120.0° |
| C20 | C21 | H39 | 106.8° | 109.5° |
| C20 | C21 | H40 | 106.8° | 109.5° |
| C13 | C14 | N4 | 90.3° | 87.9° |
| C14 | C13 | N5 | 110.1° | 114.2° |
| C14 | C13 | C12 | 87.2° | 83.6° |
| C13 | C14 | H27 | 114.0° | 113.4° |
| C13 | C14 | H28 | 114.0° | 113.5° |
| C14 | C13 | H29 | 113.7° | 114.2° |
| C14 | N4 | C12 | 91.4° | 87.9° |
| C14 | N4 | C9 | 131.7° | 111.0° |
| N4 | C14 | H27 | 114.0° | 113.5° |
| N4 | C14 | H28 | 114.0° | 113.5° |
| C18 | N6 | C20 | 120.8° | 120.8° |
| C18 | N6 | C17 | 118.8° | 118.3° |
| N6 | C18 | H33 | 108.7° | 109.7° |
| N6 | C18 | H34 | 108.7° | 109.7° |
| N5 | C13 | C12 | 114.8° | 114.1° |
| C13 | N5 | C16 | 108.6° | 111.0° |
| N5 | C13 | H29 | 114.5° | 113.2° |
| C13 | C12 | N4 | 90.0° | 87.9° |
| C13 | C12 | C15 | 114.4° | 113.5° |
| C13 | C12 | H23 | 112.7° | 113.6° |
| C12 | C13 | H29 | 113.6° | 114.3° |
| N6 | C20 | O1 | 120.3° | 120.0° |
| C20 | N6 | C17 | 120.4° | 120.9° |
| N5 | C16 | C17 | 109.8° | 109.3° |
| N5 | C16 | H35 | 109.4° | 109.5° |
| N5 | C16 | H36 | 109.4° | 109.5° |
| C12 | N4 | C9 | 130.6° | 111.0° |
| N4 | C12 | C15 | 111.4° | 113.5° |
| N4 | C12 | H23 | 113.7° | 113.5° |
| N4 | C9 | C10 | 121.5° | 120.5° |
| N4 | C9 | N3 | 118.8° | 120.5° |
| N6 | C17 | C16 | 109.6° | 108.5° |
| N6 | C17 | H37 | 109.5° | 109.7° |
| N6 | C17 | H38 | 109.5° | 109.8° |
| C6 | C5 | N1 | 106.2° | 109.5° |
| C5 | C6 | C2 | 115.9° | 109.3° |
| C5 | C6 | H14 | 107.9° | 109.5° |
| C5 | C6 | H15 | 107.9° | 109.5° |
| C6 | C5 | H16 | 110.3° | 109.5° |
| C6 | C5 | H17 | 110.3° | 109.5° |
| C5 | N1 | C7 | 121.6° | 111.0° |
| C5 | N1 | C4 | 117.2° | 111.2° |
| N1 | C5 | H16 | 110.3° | 109.4° |
| N1 | C5 | H17 | 110.3° | 109.5° |
| C17 | C16 | H35 | 109.4° | 109.5° |
| C17 | C16 | H36 | 109.4° | 109.5° |
| C16 | C17 | H37 | 109.4° | 109.6° |
| C16 | C17 | H38 | 109.4° | 109.6° |
| C15 | C12 | H23 | 112.8° | 112.7° |
| C12 | C15 | H24 | 109.5° | 109.5° |
| C12 | C15 | H25 | 109.5° | 109.5° |
| C12 | C15 | H26 | 109.5° | 109.4° |
| C9 | C10 | C7 | 118.5° | 118.2° |
| C10 | C9 | N3 | 119.6° | 119.0° |
| C9 | C10 | H22 | 120.7° | 120.9° |
| C10 | C7 | N1 | 120.7° | 120.4° |
| C10 | C7 | N2 | 119.4° | 119.1° |
| C7 | C10 | H22 | 120.8° | 120.9° |
| C9 | N3 | C8 | 120.6° | 120.9° |
| C6 | C2 | C3 | 112.0° | 109.1° |
| C6 | C2 | C1 | 114.0° | 109.5° |
| C6 | C2 | H13 | 105.9° | 109.5° |
| C2 | C6 | H14 | 107.8° | 109.5° |
| C2 | C6 | H15 | 107.8° | 109.5° |
| C7 | N1 | C4 | 120.7° | 111.0° |
| N1 | C7 | N2 | 119.8° | 120.5° |
| N1 | C4 | C3 | 106.5° | 109.5° |
| N1 | C4 | H20 | 110.2° | 109.5° |
| N1 | C4 | H21 | 110.2° | 109.5° |
| C7 | N2 | C8 | 121.0° | 120.9° |
| O2 | C29 | C27 | 86.9° | 88.5° |
| C29 | O2 | C30 | 91.6° | 88.3° |
| O2 | C29 | H1 | 114.8° | 113.4° |
| O2 | C29 | H2 | 114.8° | 113.4° |
| C29 | C27 | O3 | 116.9° | 114.6° |
| C29 | C27 | C30 | 84.8° | 81.3° |
| C29 | C27 | C23 | 114.8° | 114.6° |
| C27 | C29 | H1 | 114.8° | 113.4° |
| C27 | C29 | H2 | 114.8° | 113.4° |
| N3 | C8 | N2 | 120.8° | 121.9° |
| N3 | C8 | C11 | 119.8° | 119.1° |
| O2 | C30 | C27 | 86.7° | 88.4° |
| O2 | C30 | H3 | 114.8° | 113.3° |
| O2 | C30 | H4 | 114.8° | 113.4° |
| C31 | O3 | C27 | 120.2° | 114.0° |
| O3 | C31 | H5 | 109.5° | 109.5° |
| O3 | C31 | H6 | 109.4° | 109.5° |
| O3 | C31 | H7 | 109.4° | 109.5° |
| C4 | C3 | C2 | 114.8° | 109.3° |
| C4 | C3 | H18 | 108.1° | 109.5° |
| C4 | C3 | H19 | 108.1° | 109.6° |
| C3 | C4 | H20 | 110.2° | 109.5° |
| C3 | C4 | H21 | 110.2° | 109.5° |
| N2 | C8 | C11 | 119.4° | 119.0° |
| C8 | C11 | F1 | 110.5° | 109.5° |
| C8 | C11 | F3 | 110.1° | 109.5° |
| C8 | C11 | F2 | 108.1° | 109.4° |
| C3 | C2 | C1 | 112.4° | 109.5° |
| C3 | C2 | H13 | 105.9° | 109.5° |
| C2 | C3 | H18 | 108.1° | 109.5° |
| C2 | C3 | H19 | 108.1° | 109.5° |
| C2 | C1 | C23 | 120.7° | 120.4° |
| C2 | C1 | C26 | 119.8° | 120.4° |
| C1 | C2 | H13 | 105.9° | 109.6° |
| F1 | C11 | F3 | 109.6° | 109.5° |
| F1 | C11 | F2 | 108.9° | 109.5° |
| O3 | C27 | C30 | 107.6° | 114.6° |
| O3 | C27 | C23 | 117.3° | 113.5° |
| C30 | C27 | C23 | 110.1° | 114.6° |
| C27 | C30 | H3 | 114.8° | 113.4° |
| C27 | C30 | H4 | 114.8° | 113.5° |
| C27 | C23 | C1 | 126.7° | 119.6° |
| C27 | C23 | N7 | 113.8° | 119.6° |
| F3 | C11 | F2 | 109.5° | 109.5° |
| C23 | C1 | C26 | 119.5° | 119.2° |
| C1 | C23 | N7 | 119.4° | 120.8° |
| C1 | C26 | C28 | 125.2° | 120.8° |
| C1 | C26 | C25 | 118.6° | 118.4° |
| C23 | N7 | C24 | 123.5° | 121.7° |
| C28 | C26 | C25 | 116.3° | 120.8° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.5° | 109.5° |
| C26 | C28 | H12 | 109.5° | 109.5° |
| C26 | C25 | C24 | 120.9° | 119.2° |
| C26 | C25 | H9 | 119.5° | 120.4° |
| N7 | C24 | C25 | 118.2° | 120.7° |
| N7 | C24 | H8 | 120.9° | 119.6° |
| C25 | C24 | H8 | 120.9° | 119.7° |
| C24 | C25 | H9 | 119.6° | 120.4° |
| H1 | C29 | H2 | 109.5° | 112.7° |
| H3 | C30 | H4 | 109.5° | 112.7° |
| H5 | C31 | H6 | 109.5° | 109.5° |
| H5 | C31 | H7 | 109.5° | 109.5° |
| H6 | C31 | H7 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.4° | 109.4° |
| H10 | C28 | H12 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.4° |
| H14 | C6 | H15 | 109.4° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.4° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 112.9° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.7° |
| H35 | C16 | H36 | 109.5° | 109.5° |
| H37 | C17 | H38 | 109.5° | 109.6° |
| H39 | C21 | H40 | 109.4° | 109.5° |
| H41 | C22 | H42 | 109.4° | 109.4° |
| H41 | C22 | H43 | 109.5° | 109.5° |
| H42 | C22 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N5 | H31 | 120.6° | 120.0° |
| C18 | C19 | N5 | H32 | 120.5° | 120.0° |
| C19 | C18 | N6 | H33 | 120.5° | 119.7° |
| C19 | C18 | N6 | H34 | 120.5° | 119.7° |
| C18 | C19 | N5 | C13 | 174.5° | 172.8° |
| C19 | C18 | N6 | C20 | 143.5° | 128.9° |
| C18 | C19 | N5 | C16 | 56.2° | 63.1° |
| C19 | C18 | N6 | C17 | 38.0° | 51.2° |
| C18 | C19 | H31 | H32 | 118.3° | 120.1° |
| C19 | C18 | H33 | H34 | 118.5° | 120.4° |
| C19 | N5 | C13 | C14 | 69.6° | 53.7° |
| N5 | C19 | C18 | N6 | 41.7° | 53.8° |
| C19 | N5 | C13 | C16 | 119.3° | 124.3° |
| C19 | N5 | C13 | C12 | 166.0° | 147.6° |
| C19 | N5 | C16 | C17 | 64.2° | 63.1° |
| C19 | N5 | C13 | H29 | 60.0° | 79.3° |
| N5 | C19 | H31 | H32 | 118.3° | 120.0° |
| N5 | C19 | C18 | H33 | 162.2° | 173.6° |
| N5 | C19 | C18 | H34 | 78.8° | 65.9° |
| C19 | N5 | C16 | H35 | 175.8° | 177.0° |
| C19 | N5 | C16 | H36 | 55.9° | 56.9° |
| C22 | C21 | C20 | H39 | 121.5° | 120.0° |
| C22 | C21 | C20 | H40 | 121.5° | 119.9° |
| C22 | C21 | C20 | N6 | 128.2° | 180.0° |
| C22 | C21 | C20 | O1 | 52.2° | 0.0° |
| C22 | C21 | H39 | H40 | 115.3° | 119.9° |
| C21 | C22 | H41 | H42 | 120.0° | 119.9° |
| C21 | C22 | H41 | H43 | 120.0° | 120.0° |
| C21 | C22 | H42 | H43 | 120.0° | 120.0° |
| C21 | C20 | N6 | C18 | 1.5° | 180.0° |
| C21 | C20 | N6 | O1 | 179.6° | 180.0° |
| C21 | C20 | N6 | C17 | 180.0° | 0.0° |
| C20 | C21 | H39 | H40 | 115.3° | 120.1° |
| C20 | C21 | C22 | H41 | 180.0° | 59.9° |
| C20 | C21 | C22 | H42 | 60.0° | 60.0° |
| C20 | C21 | C22 | H43 | 60.0° | 180.0° |
| C13 | C14 | N4 | H27 | 116.6° | 114.7° |
| C13 | C14 | N4 | H28 | 116.6° | 114.7° |
| C14 | C13 | N5 | C12 | 96.4° | 93.8° |
| C14 | C13 | N5 | H29 | 129.6° | 133.0° |
| C14 | C13 | C12 | H29 | 114.7° | 113.7° |
| C14 | C13 | N5 | C16 | 171.1° | 178.0° |
| C13 | C14 | N4 | C12 | 7.9° | 27.0° |
| C13 | C14 | N4 | C9 | 161.3° | 138.7° |
| C14 | C13 | C12 | C15 | 106.1° | 88.7° |
| C14 | C13 | C12 | H23 | 123.4° | 140.8° |
| C13 | C14 | H27 | H28 | 129.1° | 130.9° |
| N4 | C14 | C13 | N5 | 123.0° | 139.7° |
| C14 | N4 | C12 | C9 | 153.9° | 111.7° |
| C14 | N4 | C12 | C15 | 108.5° | 87.7° |
| C14 | N4 | C9 | C10 | 6.9° | 152.9° |
| C14 | N4 | C9 | N3 | 172.4° | 27.0° |
| C14 | N4 | C12 | H23 | 122.8° | 141.9° |
| N4 | C14 | H27 | H28 | 129.1° | 130.9° |
| N4 | C14 | C13 | H29 | 107.0° | 87.8° |
| C18 | N6 | C20 | C17 | 178.5° | 180.0° |
| C18 | N6 | C20 | O1 | 178.9° | 0.0° |
| C18 | N6 | C17 | C16 | 45.6° | 51.2° |
| N6 | C18 | C19 | H31 | 162.3° | 66.1° |
| N6 | C18 | C19 | H32 | 78.8° | 173.8° |
| N6 | C18 | H33 | H34 | 118.6° | 120.5° |
| C18 | N6 | C17 | H37 | 165.6° | 68.5° |
| C18 | N6 | C17 | H38 | 74.4° | 171.0° |
| N5 | C13 | C12 | H29 | 134.4° | 132.6° |
| N5 | C13 | C12 | N4 | 118.5° | 139.7° |
| C13 | N5 | C16 | C17 | 178.3° | 172.8° |
| N5 | C13 | C12 | C15 | 4.8° | 24.9° |
| N5 | C13 | C12 | H23 | 125.7° | 105.5° |
| N5 | C13 | C14 | H27 | 6.3° | 105.6° |
| N5 | C13 | C14 | H28 | 120.4° | 24.9° |
| C13 | N5 | C19 | H31 | 65.0° | 67.3° |
| C13 | N5 | C19 | H32 | 53.9° | 52.8° |
| C13 | N5 | C16 | H35 | 58.3° | 52.8° |
| C13 | N5 | C16 | H36 | 61.6° | 67.3° |
| C12 | C13 | N5 | C16 | 74.7° | 88.2° |
| C13 | C12 | N4 | C15 | 116.3° | 114.8° |
| C13 | C12 | N4 | H23 | 114.9° | 114.9° |
| C13 | C12 | N4 | C9 | 161.7° | 138.7° |
| C13 | C12 | C15 | H23 | 130.5° | 130.9° |
| C13 | C12 | C15 | H24 | 180.0° | 161.0° |
| C13 | C12 | C15 | H25 | 60.0° | 79.0° |
| C13 | C12 | C15 | H26 | 60.0° | 41.0° |
| C12 | C13 | C14 | H27 | 109.1° | 140.8° |
| C12 | C13 | C14 | H28 | 124.2° | 88.7° |
| C20 | N6 | C17 | C16 | 135.9° | 128.8° |
| C20 | N6 | C18 | H33 | 23.0° | 9.1° |
| C20 | N6 | C18 | H34 | 96.0° | 111.4° |
| C20 | N6 | C17 | H37 | 15.9° | 111.5° |
| C20 | N6 | C17 | H38 | 104.1° | 9.0° |
| N6 | C20 | C21 | H39 | 6.7° | 60.0° |
| N6 | C20 | C21 | H40 | 110.3° | 60.0° |
| O1 | C20 | N6 | C17 | 0.4° | 180.0° |
| O1 | C20 | C21 | H39 | 173.7° | 120.0° |
| O1 | C20 | C21 | H40 | 69.3° | 120.0° |
| N5 | C16 | C17 | N6 | 57.3° | 53.9° |
| N5 | C16 | C17 | H35 | 120.0° | 119.9° |
| N5 | C16 | C17 | H36 | 120.0° | 120.0° |
| C16 | N5 | C13 | H29 | 59.3° | 45.0° |
| C16 | N5 | C19 | H31 | 176.8° | 56.9° |
| C16 | N5 | C19 | H32 | 64.3° | 176.9° |
| N5 | C16 | H35 | H36 | 119.8° | 120.1° |
| N5 | C16 | C17 | H37 | 177.3° | 65.9° |
| N5 | C16 | C17 | H38 | 62.7° | 173.8° |
| N4 | C12 | C15 | H23 | 129.2° | 130.8° |
| C12 | N4 | C9 | C10 | 150.7° | 111.1° |
| C12 | N4 | C9 | N3 | 28.5° | 69.0° |
| N4 | C12 | C15 | H24 | 79.7° | 62.6° |
| N4 | C12 | C15 | H25 | 160.3° | 177.4° |
| N4 | C12 | C15 | H26 | 40.3° | 57.3° |
| C12 | N4 | C14 | H27 | 108.7° | 141.7° |
| C12 | N4 | C14 | H28 | 124.5° | 87.7° |
| N4 | C12 | C13 | H29 | 107.1° | 87.7° |
| C9 | N4 | C12 | C15 | 45.4° | 24.0° |
| N4 | C9 | C10 | N3 | 179.2° | 180.0° |
| N4 | C9 | C10 | C7 | 180.0° | 180.0° |
| N4 | C9 | N3 | C8 | 179.5° | 179.8° |
| N4 | C9 | C10 | H22 | 0.0° | 0.0° |
| C9 | N4 | C12 | H23 | 83.4° | 106.4° |
| C9 | N4 | C14 | H27 | 44.7° | 106.6° |
| C9 | N4 | C14 | H28 | 82.1° | 24.0° |
| N6 | C17 | C16 | H37 | 120.0° | 119.7° |
| N6 | C17 | C16 | H38 | 120.0° | 119.9° |
| C17 | N6 | C18 | H33 | 158.5° | 170.9° |
| C17 | N6 | C18 | H34 | 82.5° | 68.5° |
| N6 | C17 | C16 | H35 | 177.3° | 173.8° |
| N6 | C17 | C16 | H36 | 62.8° | 66.1° |
| N6 | C17 | H37 | H38 | 120.0° | 120.6° |
| C6 | C5 | N1 | H16 | 119.5° | 120.0° |
| C6 | C5 | N1 | H17 | 119.5° | 120.1° |
| C5 | C6 | C2 | H14 | 121.0° | 120.0° |
| C5 | C6 | C2 | H15 | 121.0° | 120.0° |
| C6 | C5 | N1 | C7 | 109.4° | 62.4° |
| C6 | C5 | N1 | C4 | 62.2° | 61.7° |
| C5 | C6 | C2 | C3 | 43.2° | 57.6° |
| C5 | C6 | C2 | C1 | 172.2° | 177.5° |
| C5 | C6 | C2 | H13 | 71.8° | 62.3° |
| C5 | C6 | H14 | H15 | 117.1° | 120.1° |
| C6 | C5 | H16 | H17 | 121.5° | 120.0° |
| C5 | N1 | C7 | C10 | 4.3° | 179.7° |
| N1 | C5 | C6 | C2 | 49.4° | 59.2° |
| C5 | N1 | C7 | C4 | 171.3° | 124.2° |
| C5 | N1 | C7 | N2 | 177.4° | 0.1° |
| C5 | N1 | C4 | C3 | 63.5° | 61.8° |
| N1 | C5 | C6 | H14 | 71.5° | 179.1° |
| N1 | C5 | C6 | H15 | 170.3° | 60.8° |
| N1 | C5 | H16 | H17 | 121.5° | 120.0° |
| C5 | N1 | C4 | H20 | 56.0° | 178.2° |
| C5 | N1 | C4 | H21 | 177.0° | 58.3° |
| C17 | C16 | H35 | H36 | 119.9° | 120.1° |
| C16 | C17 | H37 | H38 | 119.9° | 120.3° |
| C12 | C15 | H24 | H25 | 120.0° | 120.0° |
| C12 | C15 | H24 | H26 | 120.0° | 120.0° |
| C12 | C15 | H25 | H26 | 120.0° | 120.0° |
| C15 | C12 | C13 | H29 | 139.2° | 157.5° |
| C9 | C10 | C7 | H22 | 180.0° | 180.0° |
| C9 | C10 | C7 | N1 | 179.6° | 180.0° |
| C9 | C10 | C7 | N2 | 1.2° | 0.3° |
| C10 | C9 | N3 | C8 | 0.2° | 0.2° |
| C7 | C10 | C9 | N3 | 0.8° | 0.0° |
| C10 | C7 | N1 | N2 | 178.3° | 179.8° |
| C10 | C7 | N1 | C4 | 167.1° | 56.1° |
| C10 | C7 | N2 | C8 | 1.2° | 0.2° |
| C9 | N3 | C8 | N2 | 0.2° | 0.3° |
| C9 | N3 | C8 | C11 | 179.7° | 179.8° |
| N3 | C9 | C10 | H22 | 179.2° | 180.0° |
| C6 | C2 | C3 | C4 | 43.8° | 57.6° |
| C6 | C2 | C3 | C1 | 129.9° | 119.9° |
| C6 | C2 | C3 | H13 | 115.0° | 119.9° |
| C6 | C2 | C1 | H13 | 116.0° | 120.2° |
| C6 | C2 | C1 | C23 | 120.7° | 110.4° |
| C6 | C2 | C1 | C26 | 59.4° | 69.4° |
| C2 | C6 | H14 | H15 | 117.1° | 120.1° |
| C2 | C6 | C5 | H16 | 70.1° | 60.8° |
| C2 | C6 | C5 | H17 | 168.9° | 179.2° |
| C6 | C2 | C3 | H18 | 164.6° | 62.3° |
| C6 | C2 | C3 | H19 | 77.0° | 177.6° |
| C7 | N1 | C4 | C3 | 108.2° | 62.4° |
| N1 | C7 | N2 | C8 | 179.5° | 180.0° |
| C7 | N1 | C5 | H16 | 131.1° | 177.6° |
| C7 | N1 | C5 | H17 | 10.1° | 57.7° |
| C7 | N1 | C4 | H20 | 132.3° | 57.7° |
| C7 | N1 | C4 | H21 | 11.3° | 177.6° |
| N1 | C7 | C10 | H22 | 0.4° | 0.0° |
| C4 | N1 | C7 | N2 | 11.2° | 124.2° |
| N1 | C4 | C3 | H20 | 119.5° | 120.0° |
| N1 | C4 | C3 | H21 | 119.5° | 120.0° |
| N1 | C4 | C3 | C2 | 51.1° | 59.2° |
| C4 | N1 | C5 | H16 | 57.3° | 58.2° |
| C4 | N1 | C5 | H17 | 178.3° | 178.2° |
| N1 | C4 | C3 | H18 | 171.9° | 60.7° |
| N1 | C4 | C3 | H19 | 69.6° | 179.1° |
| N1 | C4 | H20 | H21 | 121.4° | 119.9° |
| C7 | N2 | C8 | N3 | 0.7° | 0.0° |
| C7 | N2 | C8 | C11 | 179.8° | 180.0° |
| N2 | C7 | C10 | H22 | 178.7° | 179.7° |
| O2 | C29 | C27 | H1 | 115.9° | 114.9° |
| O2 | C29 | C27 | H2 | 116.0° | 114.9° |
| O2 | C29 | C27 | O3 | 129.9° | 86.6° |
| O2 | C29 | C27 | C30 | 22.9° | 26.5° |
| O2 | C29 | C27 | C23 | 86.9° | 139.6° |
| O2 | C29 | H1 | H2 | 130.8° | 130.5° |
| C29 | O2 | C30 | H3 | 140.1° | 86.8° |
| C29 | O2 | C30 | H4 | 91.6° | 143.1° |
| C29 | C27 | O3 | C31 | 52.1° | 50.3° |
| C29 | C27 | O3 | C30 | 93.1° | 91.5° |
| C29 | C27 | O3 | C23 | 142.3° | 134.3° |
| C29 | C27 | C30 | C23 | 114.6° | 113.1° |
| C29 | C27 | C23 | C1 | 81.1° | 175.0° |
| C29 | C27 | C23 | N7 | 95.9° | 4.8° |
| C27 | C29 | H1 | H2 | 130.7° | 130.5° |
| C29 | C27 | C30 | H3 | 138.7° | 88.4° |
| C29 | C27 | C30 | H4 | 93.0° | 141.4° |
| N3 | C8 | N2 | C11 | 179.5° | 179.9° |
| N3 | C8 | C11 | F1 | 98.7° | 44.9° |
| N3 | C8 | C11 | F3 | 22.6° | 165.0° |
| N3 | C8 | C11 | F2 | 142.2° | 75.0° |
| O2 | C30 | C27 | O3 | 139.4° | 86.6° |
| O2 | C30 | C27 | H3 | 115.9° | 114.8° |
| O2 | C30 | C27 | H4 | 115.9° | 114.9° |
| O2 | C30 | C27 | C23 | 91.7° | 139.6° |
| C30 | O2 | C29 | H1 | 91.6° | 143.0° |
| C30 | O2 | C29 | H2 | 140.2° | 86.8° |
| O2 | C30 | H3 | H4 | 130.8° | 130.5° |
| C31 | O3 | C27 | C30 | 145.2° | 41.1° |
| C31 | O3 | C27 | C23 | 90.2° | 175.4° |
| O3 | C31 | H5 | H6 | 120.0° | 120.0° |
| O3 | C31 | H5 | H7 | 120.0° | 120.0° |
| O3 | C31 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | C2 | H18 | 120.8° | 120.0° |
| C4 | C3 | C2 | H19 | 120.8° | 120.0° |
| C4 | C3 | C2 | C1 | 173.6° | 177.5° |
| C4 | C3 | C2 | H13 | 71.2° | 62.3° |
| C4 | C3 | H18 | H19 | 117.6° | 120.2° |
| C3 | C4 | H20 | H21 | 121.4° | 120.0° |
| N2 | C8 | C11 | F1 | 81.9° | 135.0° |
| N2 | C8 | C11 | F3 | 156.8° | 14.9° |
| N2 | C8 | C11 | F2 | 37.3° | 105.0° |
| C8 | C11 | F1 | F3 | 121.6° | 120.0° |
| C8 | C11 | F1 | F2 | 118.6° | 119.9° |
| C8 | C11 | F3 | F2 | 118.7° | 119.9° |
| C3 | C2 | C1 | H13 | 115.2° | 120.2° |
| C3 | C2 | C1 | C23 | 110.5° | 129.9° |
| C3 | C2 | C1 | C26 | 69.4° | 50.3° |
| C3 | C2 | C6 | H14 | 77.8° | 177.6° |
| C3 | C2 | C6 | H15 | 164.1° | 62.4° |
| C2 | C3 | H18 | H19 | 117.6° | 120.0° |
| C2 | C3 | C4 | H20 | 68.4° | 179.2° |
| C2 | C3 | C4 | H21 | 170.7° | 60.8° |
| C2 | C1 | C23 | C27 | 3.1° | 0.1° |
| C2 | C1 | C23 | C26 | 179.9° | 179.8° |
| C2 | C1 | C23 | N7 | 179.8° | 179.8° |
| C2 | C1 | C26 | C28 | 0.0° | 0.0° |
| C2 | C1 | C26 | C25 | 180.0° | 179.7° |
| C1 | C2 | C6 | H14 | 51.2° | 62.5° |
| C1 | C2 | C6 | H15 | 66.9° | 57.6° |
| C1 | C2 | C3 | H18 | 65.6° | 57.6° |
| C1 | C2 | C3 | H19 | 52.8° | 62.5° |
| F1 | C11 | F3 | F2 | 119.5° | 120.0° |
| O3 | C27 | C30 | C23 | 128.9° | 133.8° |
| O3 | C27 | C23 | C1 | 62.0° | 50.7° |
| O3 | C27 | C23 | N7 | 121.1° | 129.5° |
| O3 | C27 | C29 | H1 | 14.0° | 28.3° |
| O3 | C27 | C29 | H2 | 114.1° | 158.5° |
| O3 | C27 | C30 | H3 | 104.7° | 158.5° |
| O3 | C27 | C30 | H4 | 23.5° | 28.2° |
| C27 | O3 | C31 | H5 | 180.0° | 60.0° |
| C27 | O3 | C31 | H6 | 60.0° | 60.0° |
| C27 | O3 | C31 | H7 | 60.0° | 180.0° |
| C30 | C27 | C23 | C1 | 174.7° | 83.6° |
| C30 | C27 | C23 | N7 | 2.2° | 96.3° |
| C30 | C27 | C29 | H1 | 93.1° | 141.4° |
| C30 | C27 | C29 | H2 | 138.8° | 88.4° |
| C27 | C30 | H3 | H4 | 130.8° | 130.7° |
| C27 | C23 | C1 | N7 | 176.8° | 179.8° |
| C27 | C23 | C1 | C26 | 177.0° | 179.7° |
| C27 | C23 | N7 | C24 | 177.4° | 180.0° |
| C23 | C27 | C29 | H1 | 157.2° | 105.5° |
| C23 | C27 | C29 | H2 | 29.1° | 24.6° |
| C23 | C27 | C30 | H3 | 24.2° | 24.7° |
| C23 | C27 | C30 | H4 | 152.4° | 105.5° |
| C23 | C1 | C26 | C28 | 179.9° | 179.8° |
| C23 | C1 | C26 | C25 | 0.1° | 0.5° |
| C1 | C23 | N7 | C24 | 0.2° | 0.2° |
| C23 | C1 | C2 | H13 | 4.7° | 9.7° |
| C26 | C1 | C23 | N7 | 0.2° | 0.4° |
| C1 | C26 | C28 | C25 | 180.0° | 179.7° |
| C1 | C26 | C25 | C24 | 0.1° | 0.2° |
| C1 | C26 | C25 | H9 | 179.9° | 179.7° |
| C1 | C26 | C28 | H10 | 90.0° | 92.1° |
| C1 | C26 | C28 | H11 | 150.0° | 27.9° |
| C1 | C26 | C28 | H12 | 30.0° | 147.9° |
| C26 | C1 | C2 | H13 | 175.4° | 170.5° |
| C23 | N7 | C24 | C25 | 0.0° | 0.1° |
| C23 | N7 | C24 | H8 | 180.0° | 180.0° |
| C28 | C26 | C25 | C24 | 179.9° | 179.9° |
| C28 | C26 | C25 | H9 | 0.1° | 0.0° |
| C26 | C28 | H10 | H11 | 120.0° | 120.0° |
| C26 | C28 | H10 | H12 | 120.0° | 120.0° |
| C26 | C28 | H11 | H12 | 120.0° | 120.0° |
| C26 | C25 | C24 | N7 | 0.1° | 0.0° |
| C26 | C25 | C24 | H9 | 180.0° | 180.0° |
| C26 | C25 | C24 | H8 | 179.8° | 180.0° |
| C25 | C26 | C28 | H10 | 90.0° | 87.6° |
| C25 | C26 | C28 | H11 | 30.0° | 152.4° |
| C25 | C26 | C28 | H12 | 150.0° | 32.4° |
| N7 | C24 | C25 | H8 | 180.0° | 180.0° |
| N7 | C24 | C25 | H9 | 179.9° | 180.0° |
| H5 | C31 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C25 | H9 | 0.1° | 0.1° |
| H10 | C28 | H11 | H12 | 120.0° | 120.0° |
| H13 | C2 | C6 | H14 | 167.2° | 57.7° |
| H13 | C2 | C6 | H15 | 49.1° | 177.7° |
| H13 | C2 | C3 | H18 | 49.6° | 177.8° |
| H13 | C2 | C3 | H19 | 168.0° | 57.7° |
| H14 | C6 | C5 | H16 | 168.9° | 59.2° |
| H14 | C6 | C5 | H17 | 47.9° | 60.8° |
| H15 | C6 | C5 | H16 | 50.8° | 179.2° |
| H15 | C6 | C5 | H17 | 70.2° | 59.2° |
| H18 | C3 | C4 | H20 | 52.4° | 59.3° |
| H18 | C3 | C4 | H21 | 68.5° | 179.2° |
| H19 | C3 | C4 | H20 | 170.8° | 60.8° |
| H19 | C3 | C4 | H21 | 49.9° | 59.1° |
| H23 | C12 | C15 | H24 | 49.5° | 68.1° |
| H23 | C12 | C15 | H25 | 70.5° | 51.9° |
| H23 | C12 | C15 | H26 | 169.5° | 171.9° |
| H23 | C12 | C13 | H29 | 8.7° | 27.1° |
| H24 | C15 | H25 | H26 | 119.9° | 120.0° |
| H27 | C14 | C13 | H29 | 136.4° | 26.9° |
| H28 | C14 | C13 | H29 | 9.7° | 157.5° |
| H31 | C19 | C18 | H33 | 77.2° | 53.6° |
| H31 | C19 | C18 | H34 | 41.8° | 174.1° |
| H32 | C19 | C18 | H33 | 41.6° | 66.5° |
| H32 | C19 | C18 | H34 | 160.7° | 54.0° |
| H35 | C16 | C17 | H37 | 62.7° | 54.0° |
| H35 | C16 | C17 | H38 | 57.3° | 66.3° |
| H36 | C16 | C17 | H37 | 57.3° | 174.1° |
| H36 | C16 | C17 | H38 | 177.2° | 53.8° |
| H39 | C21 | C22 | H41 | 58.5° | 180.0° |
| H39 | C21 | C22 | H42 | 61.5° | 60.0° |
| H39 | C21 | C22 | H43 | 178.5° | 60.0° |
| H40 | C21 | C22 | H41 | 58.5° | 60.1° |
| H40 | C21 | C22 | H42 | 178.5° | 180.0° |
| H40 | C21 | C22 | H43 | 61.5° | 60.0° |
| H41 | C22 | H42 | H43 | 120.0° | 120.1° |
