ZWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C27 | sing | 1.43Å | 1.43Å | |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C28 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N8 | sing | 1.47Å | 1.52Å | |
| N8 | C21 | sing | 1.47Å | 1.49Å | |
| N8 | C22 | sing | 1.47Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C12 | sing | 1.53Å | 1.53Å | |
| C23 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| O2 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C13 | O1 | sing | 1.43Å | 1.43Å | |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C14 | N7 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N7 | C2 | sing | 1.38Å | 1.36Å | |
| C6 | N3 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N1 | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | N2 | doub | 1.34Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | N6 | sing | 1.39Å | 1.33Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O3 | C26 | 111.0° | 114.1° |
| O3 | C27 | C28 | 111.4° | 109.4° |
| O3 | C27 | H40 | 109.0° | 109.5° |
| O3 | C27 | H39 | 109.0° | 109.5° |
| O3 | C26 | C25 | 111.4° | 109.4° |
| O3 | C26 | H38 | 109.0° | 109.4° |
| O3 | C26 | H37 | 109.0° | 109.5° |
| C27 | C28 | C24 | 113.4° | 109.2° |
| C28 | C27 | H40 | 109.0° | 109.4° |
| C28 | C27 | H39 | 109.0° | 109.5° |
| C27 | C28 | H41 | 108.5° | 109.5° |
| C27 | C28 | H42 | 108.5° | 109.5° |
| C26 | C25 | C24 | 113.2° | 109.2° |
| C26 | C25 | H35 | 108.6° | 109.5° |
| C26 | C25 | H36 | 108.6° | 109.6° |
| C25 | C26 | H38 | 109.0° | 109.5° |
| C25 | C26 | H37 | 109.0° | 109.5° |
| C28 | C24 | C25 | 110.2° | 109.0° |
| C28 | C24 | N8 | 113.1° | 109.6° |
| C28 | C24 | H34 | 106.1° | 109.6° |
| C24 | C28 | H41 | 108.5° | 109.5° |
| C24 | C28 | H42 | 108.5° | 109.5° |
| C25 | C24 | N8 | 114.5° | 109.6° |
| C25 | C24 | H34 | 106.1° | 109.5° |
| C24 | C25 | H35 | 108.5° | 109.5° |
| C24 | C25 | H36 | 108.5° | 109.5° |
| C24 | N8 | C21 | 116.2° | 111.0° |
| C24 | N8 | C22 | 115.6° | 111.1° |
| N8 | C24 | H34 | 106.3° | 109.5° |
| C21 | N8 | C22 | 112.7° | 111.2° |
| N8 | C21 | C20 | 113.7° | 109.5° |
| N8 | C21 | H28 | 108.4° | 109.5° |
| N8 | C21 | H29 | 108.4° | 109.4° |
| N8 | C22 | C23 | 113.4° | 109.6° |
| N8 | C22 | H30 | 108.5° | 109.4° |
| N8 | C22 | H31 | 108.5° | 109.4° |
| C21 | C20 | C12 | 110.6° | 109.3° |
| C21 | C20 | H26 | 109.2° | 109.5° |
| C21 | C20 | H27 | 109.2° | 109.5° |
| C20 | C21 | H28 | 108.4° | 109.5° |
| C20 | C21 | H29 | 108.4° | 109.5° |
| C22 | C23 | C12 | 110.4° | 109.3° |
| C23 | C22 | H30 | 108.5° | 109.5° |
| C23 | C22 | H31 | 108.5° | 109.4° |
| C22 | C23 | H33 | 109.2° | 109.5° |
| C22 | C23 | H32 | 109.2° | 109.5° |
| C20 | C12 | C23 | 108.4° | 109.2° |
| C20 | C12 | C10 | 115.0° | 109.5° |
| C20 | C12 | H6 | 106.2° | 109.5° |
| C12 | C20 | H26 | 109.2° | 109.5° |
| C12 | C20 | H27 | 109.2° | 109.5° |
| C23 | C12 | C10 | 114.2° | 109.5° |
| C23 | C12 | H6 | 106.2° | 109.5° |
| C12 | C23 | H33 | 109.2° | 109.6° |
| C12 | C23 | H32 | 109.2° | 109.4° |
| C12 | C10 | C9 | 122.5° | 120.4° |
| C12 | C10 | C11 | 120.4° | 120.4° |
| C10 | C12 | H6 | 106.2° | 109.6° |
| C9 | C10 | C11 | 117.1° | 119.2° |
| C10 | C9 | C8 | 119.3° | 118.3° |
| C10 | C9 | H4 | 120.4° | 120.9° |
| C10 | C11 | N5 | 124.5° | 120.9° |
| C10 | C11 | H5 | 117.7° | 119.6° |
| C9 | C8 | O1 | 126.2° | 120.5° |
| C9 | C8 | C7 | 119.4° | 119.1° |
| C8 | C9 | H4 | 120.3° | 120.8° |
| C11 | N5 | C7 | 118.5° | 121.8° |
| N5 | C11 | H5 | 117.8° | 119.6° |
| O2 | C19 | C18 | 111.2° | 109.5° |
| O2 | C19 | H24 | 109.0° | 109.5° |
| O2 | C19 | H23 | 109.0° | 109.5° |
| C19 | O2 | H25 | 109.5° | 114.0° |
| C19 | C18 | C14 | 114.4° | 109.5° |
| C19 | C18 | H21 | 108.2° | 109.4° |
| C19 | C18 | H22 | 108.2° | 109.5° |
| C18 | C19 | H24 | 109.1° | 109.4° |
| C18 | C19 | H23 | 109.0° | 109.5° |
| C13 | O1 | C8 | 118.6° | 117.0° |
| O1 | C13 | H11 | 109.5° | 109.5° |
| O1 | C13 | H12 | 109.5° | 109.5° |
| O1 | C13 | H10 | 109.5° | 109.5° |
| O1 | C8 | C7 | 114.4° | 120.4° |
| C8 | C7 | N5 | 121.1° | 120.6° |
| C8 | C7 | C6 | 124.0° | 119.7° |
| N5 | C7 | C6 | 114.9° | 119.7° |
| C18 | C14 | N7 | 110.9° | 109.5° |
| C18 | C14 | C15 | 112.5° | 109.5° |
| C18 | C14 | H13 | 107.1° | 109.5° |
| C14 | C18 | H21 | 108.2° | 109.5° |
| C14 | C18 | H22 | 108.2° | 109.5° |
| C7 | C6 | N3 | 108.9° | 109.5° |
| C7 | C6 | H2 | 109.6° | 109.5° |
| C7 | C6 | H3 | 109.6° | 109.5° |
| N7 | C14 | C15 | 110.8° | 109.5° |
| C14 | N7 | C2 | 126.0° | 120.0° |
| C14 | N7 | H9 | 105.2° | 120.0° |
| N7 | C14 | H13 | 108.0° | 109.4° |
| C14 | C15 | C16 | 115.1° | 109.5° |
| C15 | C14 | H13 | 107.2° | 109.5° |
| C14 | C15 | H14 | 108.0° | 109.4° |
| C14 | C15 | H15 | 108.1° | 109.5° |
| N7 | C2 | C3 | 118.5° | 120.7° |
| N7 | C2 | N1 | 118.6° | 120.7° |
| C2 | N7 | H9 | 105.2° | 120.0° |
| C6 | N3 | C3 | 129.5° | 126.0° |
| C6 | N3 | N4 | 118.9° | 126.0° |
| N3 | C6 | H2 | 109.6° | 109.5° |
| N3 | C6 | H3 | 109.6° | 109.5° |
| C3 | C2 | N1 | 122.9° | 118.6° |
| C2 | C3 | N3 | 139.2° | 134.7° |
| C2 | C3 | C4 | 113.7° | 118.5° |
| C2 | N1 | C1 | 117.2° | 121.2° |
| C3 | N3 | N4 | 111.5° | 108.0° |
| N3 | C3 | C4 | 107.1° | 106.7° |
| N3 | N4 | C5 | 106.2° | 109.6° |
| C3 | C4 | C5 | 103.6° | 106.9° |
| C3 | C4 | N2 | 124.7° | 118.8° |
| C15 | C16 | C17 | 112.6° | 109.5° |
| C16 | C15 | H14 | 108.1° | 109.5° |
| C16 | C15 | H15 | 108.0° | 109.5° |
| C15 | C16 | H17 | 108.7° | 109.4° |
| C15 | C16 | H16 | 108.7° | 109.4° |
| N1 | C1 | N2 | 125.7° | 122.3° |
| N1 | C1 | N6 | 117.2° | 118.8° |
| N4 | C5 | C4 | 111.6° | 108.7° |
| N4 | C5 | H1 | 124.2° | 125.6° |
| C17 | C16 | H17 | 108.7° | 109.5° |
| C17 | C16 | H16 | 108.7° | 109.5° |
| C16 | C17 | H18 | 109.5° | 109.4° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C5 | C4 | N2 | 131.7° | 134.2° |
| C4 | C5 | H1 | 124.2° | 125.6° |
| C4 | N2 | C1 | 115.8° | 120.5° |
| N2 | C1 | N6 | 117.1° | 118.8° |
| C1 | N6 | H7 | 109.5° | 120.0° |
| C1 | N6 | H8 | 109.4° | 120.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H7 | N6 | H8 | 109.5° | 120.0° |
| H11 | C13 | H12 | 109.5° | 109.4° |
| H11 | C13 | H10 | 109.5° | 109.5° |
| H12 | C13 | H10 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H17 | C16 | H16 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C17 | H19 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H30 | C22 | H31 | 109.4° | 109.4° |
| H33 | C23 | H32 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.4° | 109.5° |
| H38 | C26 | H37 | 109.5° | 109.6° |
| H40 | C27 | H39 | 109.5° | 109.5° |
| H41 | C28 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C27 | C28 | H40 | 120.3° | 120.0° |
| O3 | C27 | C28 | H39 | 120.3° | 120.0° |
| C27 | O3 | C26 | C25 | 62.3° | 61.2° |
| O3 | C27 | C28 | C24 | 53.1° | 57.6° |
| C27 | O3 | C26 | H38 | 177.4° | 178.9° |
| C27 | O3 | C26 | H37 | 58.0° | 58.8° |
| O3 | C27 | H40 | H39 | 119.1° | 120.0° |
| O3 | C27 | C28 | H41 | 173.7° | 62.3° |
| O3 | C27 | C28 | H42 | 67.4° | 177.5° |
| C26 | O3 | C27 | C28 | 61.8° | 61.2° |
| O3 | C26 | C25 | H38 | 120.3° | 119.9° |
| O3 | C26 | C25 | H37 | 120.3° | 119.9° |
| O3 | C26 | C25 | C24 | 54.0° | 57.6° |
| O3 | C26 | C25 | H35 | 66.5° | 177.6° |
| O3 | C26 | C25 | H36 | 174.6° | 62.3° |
| O3 | C26 | H38 | H37 | 119.1° | 120.0° |
| C26 | O3 | C27 | H40 | 58.5° | 58.8° |
| C26 | O3 | C27 | H39 | 177.9° | 178.8° |
| C27 | C28 | C24 | H41 | 120.6° | 119.9° |
| C27 | C28 | C24 | H42 | 120.6° | 120.0° |
| C27 | C28 | C24 | C25 | 43.9° | 56.9° |
| C27 | C28 | C24 | N8 | 173.4° | 176.8° |
| C27 | C28 | C24 | H34 | 70.5° | 63.0° |
| C28 | C27 | H40 | H39 | 119.1° | 120.0° |
| C27 | C28 | H41 | H42 | 118.2° | 120.2° |
| C26 | C25 | C24 | C28 | 44.2° | 57.0° |
| C26 | C25 | C24 | H35 | 120.6° | 119.9° |
| C26 | C25 | C24 | H36 | 120.6° | 120.0° |
| C26 | C25 | C24 | N8 | 173.0° | 176.9° |
| C26 | C25 | C24 | H34 | 70.1° | 62.9° |
| C26 | C25 | H35 | H36 | 118.3° | 120.2° |
| C25 | C26 | H38 | H37 | 119.1° | 120.1° |
| C28 | C24 | C25 | N8 | 128.8° | 119.9° |
| C28 | C24 | C25 | H34 | 114.3° | 119.9° |
| C28 | C24 | N8 | H34 | 116.0° | 120.2° |
| C28 | C24 | N8 | C21 | 52.6° | 60.2° |
| C28 | C24 | N8 | C22 | 171.9° | 175.5° |
| C28 | C24 | C25 | H35 | 76.3° | 176.9° |
| C28 | C24 | C25 | H36 | 164.8° | 63.1° |
| C24 | C28 | C27 | H40 | 67.2° | 62.4° |
| C24 | C28 | C27 | H39 | 173.4° | 177.6° |
| C24 | C28 | H41 | H42 | 118.2° | 120.2° |
| C25 | C24 | N8 | H34 | 116.8° | 120.2° |
| C25 | C24 | N8 | C21 | 179.8° | 179.8° |
| C25 | C24 | N8 | C22 | 44.6° | 55.9° |
| C24 | C25 | H35 | H36 | 118.3° | 120.1° |
| C24 | C25 | C26 | H38 | 174.4° | 177.5° |
| C24 | C25 | C26 | H37 | 66.3° | 62.3° |
| C25 | C24 | C28 | H41 | 164.5° | 63.0° |
| C25 | C24 | C28 | H42 | 76.7° | 176.9° |
| C24 | N8 | C21 | C22 | 136.8° | 124.2° |
| C24 | N8 | C21 | C20 | 174.6° | 174.1° |
| C24 | N8 | C22 | C23 | 173.8° | 174.2° |
| C24 | N8 | C21 | H28 | 64.7° | 54.1° |
| C24 | N8 | C21 | H29 | 54.0° | 65.9° |
| C24 | N8 | C22 | H30 | 53.2° | 54.1° |
| C24 | N8 | C22 | H31 | 65.6° | 65.8° |
| N8 | C24 | C25 | H35 | 52.4° | 63.2° |
| N8 | C24 | C25 | H36 | 66.4° | 56.9° |
| N8 | C24 | C28 | H41 | 66.0° | 56.9° |
| N8 | C24 | C28 | H42 | 52.8° | 63.2° |
| N8 | C21 | C20 | H28 | 120.6° | 120.0° |
| N8 | C21 | C20 | H29 | 120.6° | 120.0° |
| C21 | N8 | C22 | C23 | 49.2° | 61.7° |
| N8 | C21 | C20 | C12 | 54.0° | 59.2° |
| N8 | C21 | C20 | H26 | 174.1° | 60.8° |
| N8 | C21 | C20 | H27 | 66.1° | 179.1° |
| N8 | C21 | H28 | H29 | 118.1° | 120.0° |
| C21 | N8 | C22 | H30 | 169.8° | 178.2° |
| C21 | N8 | C22 | H31 | 71.4° | 58.3° |
| C21 | N8 | C24 | H34 | 63.4° | 60.0° |
| C22 | N8 | C21 | C20 | 48.5° | 61.7° |
| N8 | C22 | C23 | H30 | 120.6° | 120.1° |
| N8 | C22 | C23 | H31 | 120.6° | 120.0° |
| N8 | C22 | C23 | C12 | 55.4° | 59.0° |
| C22 | N8 | C21 | H28 | 72.1° | 178.3° |
| C22 | N8 | C21 | H29 | 169.2° | 58.3° |
| N8 | C22 | H30 | H31 | 118.2° | 119.9° |
| N8 | C22 | C23 | H33 | 64.7° | 179.1° |
| N8 | C22 | C23 | H32 | 175.6° | 60.8° |
| C22 | N8 | C24 | H34 | 72.1° | 64.3° |
| C21 | C20 | C12 | H26 | 120.2° | 120.0° |
| C21 | C20 | C12 | H27 | 120.2° | 119.9° |
| C21 | C20 | C12 | C23 | 58.5° | 57.6° |
| C21 | C20 | C12 | C10 | 172.3° | 177.6° |
| C21 | C20 | C12 | H6 | 55.2° | 62.3° |
| C21 | C20 | H26 | H27 | 119.5° | 120.1° |
| C20 | C21 | H28 | H29 | 118.1° | 120.0° |
| C22 | C23 | C12 | C20 | 59.3° | 57.5° |
| C22 | C23 | C12 | H33 | 120.1° | 120.0° |
| C22 | C23 | C12 | H32 | 120.2° | 119.9° |
| C22 | C23 | C12 | C10 | 171.1° | 177.5° |
| C22 | C23 | C12 | H6 | 54.5° | 62.4° |
| C23 | C22 | H30 | H31 | 118.2° | 119.9° |
| C22 | C23 | H33 | H32 | 119.5° | 120.1° |
| C20 | C12 | C23 | C10 | 129.6° | 119.9° |
| C20 | C12 | C23 | H6 | 113.7° | 119.9° |
| C20 | C12 | C10 | H6 | 117.1° | 120.1° |
| C20 | C12 | C10 | C9 | 52.9° | 120.2° |
| C20 | C12 | C10 | C11 | 127.8° | 59.8° |
| C12 | C20 | H26 | H27 | 119.5° | 120.1° |
| C12 | C20 | C21 | H28 | 66.7° | 179.2° |
| C12 | C20 | C21 | H29 | 174.6° | 60.8° |
| C20 | C12 | C23 | H33 | 60.9° | 177.6° |
| C20 | C12 | C23 | H32 | 179.4° | 62.4° |
| C23 | C12 | C10 | H6 | 116.6° | 120.1° |
| C23 | C12 | C10 | C9 | 73.4° | 120.1° |
| C23 | C12 | C10 | C11 | 106.0° | 59.9° |
| C23 | C12 | C20 | H26 | 178.7° | 62.4° |
| C23 | C12 | C20 | H27 | 61.6° | 177.6° |
| C12 | C23 | C22 | H30 | 176.0° | 179.1° |
| C12 | C23 | C22 | H31 | 65.2° | 60.9° |
| C12 | C23 | H33 | H32 | 119.6° | 120.0° |
| C12 | C10 | C9 | C11 | 179.4° | 180.0° |
| C12 | C10 | C9 | C8 | 179.8° | 179.9° |
| C12 | C10 | C11 | N5 | 180.0° | 179.7° |
| C12 | C10 | C9 | H4 | 0.2° | 0.1° |
| C12 | C10 | C11 | H5 | 0.0° | 0.0° |
| C10 | C12 | C20 | H26 | 52.1° | 57.6° |
| C10 | C12 | C20 | H27 | 67.5° | 62.5° |
| C10 | C12 | C23 | H33 | 68.7° | 62.5° |
| C10 | C12 | C23 | H32 | 51.0° | 57.6° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | N5 | 0.6° | 0.3° |
| C10 | C9 | C8 | O1 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C10 | C11 | H5 | 179.4° | 180.0° |
| C9 | C10 | C12 | H6 | 169.9° | 0.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.1° |
| C10 | C11 | N5 | H5 | 180.0° | 179.7° |
| C10 | C11 | N5 | C7 | 0.9° | 0.5° |
| C11 | C10 | C9 | H4 | 179.6° | 179.9° |
| C11 | C10 | C12 | H6 | 10.7° | 180.0° |
| C9 | C8 | O1 | C13 | 14.7° | 0.0° |
| C9 | C8 | O1 | C7 | 179.3° | 180.0° |
| C9 | C8 | C7 | N5 | 0.9° | 0.3° |
| C9 | C8 | C7 | C6 | 179.9° | 180.0° |
| C11 | N5 | C7 | C8 | 1.1° | 0.5° |
| C11 | N5 | C7 | C6 | 179.8° | 179.7° |
| O2 | C19 | C18 | H24 | 120.2° | 120.0° |
| O2 | C19 | C18 | H23 | 120.2° | 120.0° |
| O2 | C19 | C18 | C14 | 70.2° | 180.0° |
| O2 | C19 | C18 | H21 | 169.1° | 60.0° |
| O2 | C19 | C18 | H22 | 50.5° | 60.0° |
| O2 | C19 | H24 | H23 | 119.2° | 120.0° |
| C19 | C18 | C14 | H21 | 120.7° | 119.9° |
| C19 | C18 | C14 | H22 | 120.7° | 120.0° |
| C19 | C18 | C14 | N7 | 69.4° | 65.0° |
| C19 | C18 | C14 | C15 | 165.8° | 175.0° |
| C19 | C18 | C14 | H13 | 48.2° | 54.9° |
| C19 | C18 | H21 | H22 | 117.7° | 120.0° |
| C18 | C19 | H24 | H23 | 119.2° | 120.0° |
| C18 | C19 | O2 | H25 | 180.0° | 180.0° |
| C13 | O1 | C8 | C7 | 166.0° | 180.0° |
| O1 | C13 | H11 | H12 | 120.0° | 120.0° |
| O1 | C13 | H11 | H10 | 120.0° | 120.0° |
| O1 | C13 | H12 | H10 | 120.0° | 120.0° |
| O1 | C8 | C7 | N5 | 179.7° | 179.8° |
| O1 | C8 | C7 | C6 | 0.6° | 0.0° |
| O1 | C8 | C9 | H4 | 0.2° | 0.1° |
| C8 | O1 | C13 | H11 | 180.0° | 60.0° |
| C8 | O1 | C13 | H12 | 60.0° | 179.9° |
| C8 | O1 | C13 | H10 | 60.0° | 60.0° |
| C8 | C7 | N5 | C6 | 179.2° | 179.8° |
| C8 | C7 | C6 | N3 | 130.7° | 90.0° |
| C7 | C8 | C9 | H4 | 179.4° | 179.9° |
| C8 | C7 | C6 | H2 | 109.3° | 150.0° |
| C8 | C7 | C6 | H3 | 10.8° | 30.0° |
| N5 | C7 | C6 | N3 | 50.1° | 89.8° |
| N5 | C7 | C6 | H2 | 69.8° | 30.2° |
| N5 | C7 | C6 | H3 | 170.0° | 150.2° |
| C7 | N5 | C11 | H5 | 179.1° | 179.8° |
| C18 | C14 | N7 | C15 | 125.8° | 120.0° |
| C18 | C14 | N7 | H13 | 117.1° | 120.0° |
| C18 | C14 | C15 | H13 | 117.5° | 120.0° |
| C18 | C14 | N7 | C2 | 151.0° | 155.0° |
| C18 | C14 | C15 | C16 | 72.2° | 175.0° |
| C18 | C14 | N7 | H9 | 28.8° | 24.9° |
| C18 | C14 | C15 | H14 | 48.6° | 65.0° |
| C18 | C14 | C15 | H15 | 167.0° | 55.0° |
| C14 | C18 | H21 | H22 | 117.8° | 120.0° |
| C14 | C18 | C19 | H24 | 50.0° | 60.0° |
| C14 | C18 | C19 | H23 | 169.5° | 60.0° |
| C7 | C6 | N3 | H2 | 120.0° | 120.0° |
| C7 | C6 | N3 | H3 | 119.9° | 120.0° |
| C7 | C6 | N3 | C3 | 79.1° | 84.9° |
| C7 | C6 | N3 | N4 | 96.7° | 95.1° |
| C7 | C6 | H2 | H3 | 120.3° | 120.0° |
| N7 | C14 | C15 | H13 | 117.6° | 119.9° |
| C14 | N7 | C2 | H9 | 122.2° | 179.9° |
| C14 | N7 | C2 | C3 | 172.4° | 174.5° |
| C14 | N7 | C2 | N1 | 8.2° | 5.5° |
| N7 | C14 | C15 | C16 | 52.6° | 65.0° |
| N7 | C14 | C15 | H14 | 173.5° | 55.1° |
| N7 | C14 | C15 | H15 | 68.2° | 175.0° |
| N7 | C14 | C18 | H21 | 51.3° | 175.0° |
| N7 | C14 | C18 | H22 | 169.9° | 55.0° |
| C15 | C14 | N7 | C2 | 83.2° | 85.0° |
| C14 | C15 | C16 | H14 | 120.8° | 120.0° |
| C14 | C15 | C16 | H15 | 120.8° | 120.0° |
| C14 | C15 | C16 | C17 | 173.4° | 180.0° |
| C15 | C14 | N7 | H9 | 154.5° | 95.1° |
| C14 | C15 | H14 | H15 | 117.5° | 119.9° |
| C14 | C15 | C16 | H17 | 66.1° | 60.0° |
| C14 | C15 | C16 | H16 | 52.9° | 60.0° |
| C15 | C14 | C18 | H21 | 73.5° | 55.0° |
| C15 | C14 | C18 | H22 | 45.1° | 65.0° |
| N7 | C2 | C3 | N1 | 179.4° | 180.0° |
| N7 | C2 | C3 | N3 | 2.2° | 0.0° |
| N7 | C2 | C3 | C4 | 179.6° | 180.0° |
| N7 | C2 | N1 | C1 | 179.6° | 180.0° |
| C2 | N7 | C14 | H13 | 33.9° | 35.0° |
| C6 | N3 | C3 | C2 | 4.3° | 0.0° |
| C6 | N3 | C3 | N4 | 176.1° | 180.0° |
| C6 | N3 | C3 | C4 | 177.4° | 180.0° |
| C6 | N3 | N4 | C5 | 177.8° | 180.0° |
| N3 | C6 | H2 | H3 | 120.2° | 120.0° |
| C2 | C3 | N3 | C4 | 178.3° | 180.0° |
| C2 | C3 | N3 | N4 | 179.6° | 180.0° |
| C3 | C2 | N1 | C1 | 0.2° | 0.0° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C2 | C3 | C4 | N2 | 0.3° | 0.0° |
| C3 | C2 | N7 | H9 | 65.4° | 5.6° |
| N1 | C2 | C3 | N3 | 178.4° | 180.0° |
| N1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C1 | N2 | 0.2° | 0.0° |
| C2 | N1 | C1 | N6 | 179.1° | 180.0° |
| N1 | C2 | N7 | H9 | 114.0° | 174.4° |
| C3 | N3 | N4 | C5 | 1.3° | 0.0° |
| N3 | C3 | C4 | C5 | 0.7° | 0.0° |
| N3 | C3 | C4 | N2 | 178.5° | 180.0° |
| C3 | N3 | C6 | H2 | 160.9° | 35.0° |
| C3 | N3 | C6 | H3 | 40.8° | 155.0° |
| N4 | N3 | C3 | C4 | 1.3° | 0.0° |
| N3 | N4 | C5 | C4 | 0.8° | 0.0° |
| N3 | N4 | C5 | H1 | 179.2° | 180.0° |
| N4 | N3 | C6 | H2 | 23.2° | 145.0° |
| N4 | N3 | C6 | H3 | 143.4° | 25.0° |
| C3 | C4 | C5 | N4 | 0.0° | 0.0° |
| C3 | C4 | C5 | N2 | 179.1° | 180.0° |
| C3 | C4 | N2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 120.5° | 120.0° |
| C15 | C16 | C17 | H16 | 120.5° | 120.0° |
| C16 | C15 | C14 | H13 | 170.2° | 55.0° |
| C16 | C15 | H14 | H15 | 117.4° | 120.0° |
| C15 | C16 | H17 | H16 | 118.6° | 119.9° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C15 | C16 | C17 | H20 | 60.0° | 60.0° |
| C15 | C16 | C17 | H19 | 60.0° | 60.0° |
| N1 | C1 | N2 | C4 | 0.7° | 0.0° |
| N1 | C1 | N2 | N6 | 179.3° | 180.0° |
| N1 | C1 | N6 | H7 | 0.0° | 0.0° |
| N1 | C1 | N6 | H8 | 120.0° | 180.0° |
| N4 | C5 | C4 | H1 | 180.0° | 180.0° |
| N4 | C5 | C4 | N2 | 179.2° | 180.0° |
| C17 | C16 | C15 | H14 | 52.6° | 60.0° |
| C17 | C16 | C15 | H15 | 65.8° | 60.0° |
| C17 | C16 | H17 | H16 | 118.5° | 120.1° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H20 | H19 | 120.0° | 120.0° |
| C5 | C4 | N2 | C1 | 179.7° | 180.0° |
| C4 | N2 | C1 | N6 | 178.6° | 180.0° |
| N2 | C4 | C5 | H1 | 0.9° | 0.0° |
| N2 | C1 | N6 | H7 | 179.4° | 180.0° |
| N2 | C1 | N6 | H8 | 59.4° | 0.0° |
| C1 | N6 | H7 | H8 | 120.0° | 179.9° |
| H6 | C12 | C20 | H26 | 65.0° | 177.8° |
| H6 | C12 | C20 | H27 | 175.3° | 57.7° |
| H6 | C12 | C23 | H33 | 174.6° | 57.7° |
| H6 | C12 | C23 | H32 | 65.7° | 177.8° |
| H9 | N7 | C14 | H13 | 88.4° | 144.9° |
| H11 | C13 | H12 | H10 | 120.0° | 120.0° |
| H13 | C14 | C15 | H14 | 68.9° | 175.0° |
| H13 | C14 | C15 | H15 | 49.4° | 65.0° |
| H13 | C14 | C18 | H21 | 169.0° | 65.0° |
| H13 | C14 | C18 | H22 | 72.5° | 174.9° |
| H14 | C15 | C16 | H17 | 173.1° | 179.9° |
| H14 | C15 | C16 | H16 | 67.9° | 60.0° |
| H15 | C15 | C16 | H17 | 54.7° | 60.0° |
| H15 | C15 | C16 | H16 | 173.8° | 180.0° |
| H17 | C16 | C17 | H18 | 59.5° | 60.0° |
| H17 | C16 | C17 | H20 | 179.5° | 180.0° |
| H17 | C16 | C17 | H19 | 60.5° | 60.0° |
| H16 | C16 | C17 | H18 | 59.6° | 60.0° |
| H16 | C16 | C17 | H20 | 60.5° | 59.9° |
| H16 | C16 | C17 | H19 | 179.5° | 180.0° |
| H18 | C17 | H20 | H19 | 120.0° | 120.1° |
| H21 | C18 | C19 | H24 | 70.7° | 179.9° |
| H21 | C18 | C19 | H23 | 48.8° | 60.0° |
| H22 | C18 | C19 | H24 | 170.7° | 60.1° |
| H22 | C18 | C19 | H23 | 69.7° | 180.0° |
| H24 | C19 | O2 | H25 | 59.8° | 60.0° |
| H23 | C19 | O2 | H25 | 59.7° | 60.0° |
| H26 | C20 | C21 | H28 | 53.5° | 59.2° |
| H26 | C20 | C21 | H29 | 65.2° | 179.2° |
| H27 | C20 | C21 | H28 | 173.2° | 60.9° |
| H27 | C20 | C21 | H29 | 54.5° | 59.1° |
| H30 | C22 | C23 | H33 | 55.8° | 60.8° |
| H30 | C22 | C23 | H32 | 63.8° | 59.3° |
| H31 | C22 | C23 | H33 | 174.7° | 59.2° |
| H31 | C22 | C23 | H32 | 55.0° | 179.3° |
| H34 | C24 | C25 | H35 | 169.3° | 57.0° |
| H34 | C24 | C25 | H36 | 50.5° | 177.1° |
| H34 | C24 | C28 | H41 | 50.1° | 177.2° |
| H34 | C24 | C28 | H42 | 169.0° | 57.0° |
| H35 | C25 | C26 | H38 | 53.8° | 62.5° |
| H35 | C25 | C26 | H37 | 173.2° | 57.6° |
| H36 | C25 | C26 | H38 | 65.1° | 57.6° |
| H36 | C25 | C26 | H37 | 54.3° | 177.7° |
| H40 | C27 | C28 | H41 | 53.4° | 177.7° |
| H40 | C27 | C28 | H42 | 172.3° | 57.5° |
| H39 | C27 | C28 | H41 | 66.0° | 57.7° |
| H39 | C27 | C28 | H42 | 52.9° | 62.5° |
