O8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C25 | C18 | sing | 1.53Å | 1.52Å | |
| C27 | C32 | sing | 1.53Å | 1.52Å | |
| O | C19 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| N4 | C20 | sing | 1.46Å | 1.46Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C17 | O1 | doub | 1.22Å | 1.23Å | |
| C17 | C14 | sing | 1.48Å | 1.50Å | |
| C15 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O2 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | sing | 1.47Å | 1.48Å | |
| C6 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | N5 | sing | 1.38Å | 1.33Å | |
| N | C3 | sing | 1.40Å | 1.43Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 112.8° | 109.5° |
| C28 | C29 | C30 | 111.4° | 109.5° |
| C28 | C29 | H41 | 109.0° | 109.5° |
| C28 | C29 | H42 | 109.0° | 109.5° |
| C29 | C28 | H43 | 108.6° | 109.4° |
| C29 | C28 | H44 | 108.6° | 109.5° |
| C28 | C27 | C26 | 112.7° | 109.5° |
| C28 | C27 | C32 | 109.3° | 109.5° |
| C28 | C27 | H34 | 108.9° | 109.5° |
| C27 | C28 | H43 | 108.6° | 109.5° |
| C27 | C28 | H44 | 108.6° | 109.5° |
| C29 | C30 | C31 | 110.5° | 109.5° |
| C29 | C30 | H39 | 109.2° | 109.5° |
| C29 | C30 | H40 | 109.2° | 109.5° |
| C30 | C29 | H41 | 109.0° | 109.5° |
| C30 | C29 | H42 | 109.0° | 109.5° |
| C25 | C26 | C27 | 117.2° | 109.4° |
| C26 | C25 | C18 | 120.1° | 109.5° |
| C26 | C25 | H30 | 106.8° | 109.5° |
| C26 | C25 | H31 | 106.8° | 109.5° |
| C25 | C26 | H32 | 107.5° | 109.5° |
| C25 | C26 | H33 | 107.5° | 109.5° |
| C26 | C27 | C32 | 108.2° | 109.5° |
| C27 | C26 | H32 | 107.5° | 109.4° |
| C27 | C26 | H33 | 107.5° | 109.5° |
| C26 | C27 | H34 | 108.6° | 109.5° |
| C30 | C31 | C32 | 110.6° | 109.5° |
| C30 | C31 | H37 | 109.2° | 109.5° |
| C30 | C31 | H38 | 109.2° | 109.5° |
| C31 | C30 | H39 | 109.2° | 109.4° |
| C31 | C30 | H40 | 109.2° | 109.5° |
| C25 | C18 | C19 | 106.9° | 109.5° |
| C25 | C18 | N3 | 111.1° | 109.5° |
| C25 | C18 | H18 | 109.3° | 109.5° |
| C18 | C25 | H30 | 106.7° | 109.5° |
| C18 | C25 | H31 | 106.8° | 109.5° |
| C27 | C32 | C31 | 113.2° | 109.5° |
| C32 | C27 | H34 | 109.0° | 109.5° |
| C27 | C32 | H35 | 108.5° | 109.5° |
| C27 | C32 | H36 | 108.5° | 109.5° |
| O | C19 | C18 | 119.7° | 120.0° |
| O | C19 | N4 | 123.9° | 120.0° |
| C31 | C32 | H35 | 108.5° | 109.5° |
| C31 | C32 | H36 | 108.5° | 109.5° |
| C32 | C31 | H37 | 109.2° | 109.4° |
| C32 | C31 | H38 | 109.2° | 109.5° |
| C18 | C19 | N4 | 116.2° | 120.0° |
| C19 | C18 | N3 | 109.9° | 109.5° |
| C19 | C18 | H18 | 109.3° | 109.4° |
| C19 | N4 | C20 | 123.6° | 120.0° |
| C19 | N4 | H11 | 118.2° | 120.0° |
| C18 | N3 | C17 | 122.5° | 120.0° |
| C18 | N3 | H8 | 118.8° | 120.0° |
| N3 | C18 | H18 | 110.2° | 109.5° |
| N3 | C17 | O1 | 122.4° | 120.0° |
| N3 | C17 | C14 | 117.9° | 120.0° |
| C17 | N3 | H8 | 118.7° | 120.1° |
| C20 | C21 | C22 | 117.1° | 109.5° |
| C21 | C20 | N4 | 110.8° | 109.5° |
| C21 | C20 | H19 | 109.1° | 109.5° |
| C21 | C20 | H20 | 109.1° | 109.4° |
| C20 | C21 | H21 | 107.5° | 109.5° |
| C20 | C21 | H22 | 107.5° | 109.5° |
| C21 | C22 | C24 | 116.8° | 109.5° |
| C21 | C22 | C23 | 111.3° | 109.5° |
| C22 | C21 | H21 | 107.6° | 109.5° |
| C22 | C21 | H22 | 107.6° | 109.4° |
| C21 | C22 | H23 | 105.5° | 109.5° |
| C20 | N4 | H11 | 118.2° | 120.0° |
| N4 | C20 | H19 | 109.2° | 109.5° |
| N4 | C20 | H20 | 109.2° | 109.4° |
| C24 | C22 | C23 | 111.1° | 109.5° |
| C24 | C22 | H23 | 105.5° | 109.5° |
| C22 | C24 | H24 | 109.5° | 109.4° |
| C22 | C24 | H25 | 109.5° | 109.4° |
| C22 | C24 | H26 | 109.4° | 109.5° |
| C23 | C22 | H23 | 105.6° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.4° |
| C22 | C23 | H29 | 109.4° | 109.5° |
| O1 | C17 | C14 | 119.8° | 120.0° |
| C17 | C14 | C15 | 124.5° | 120.2° |
| C17 | C14 | C13 | 117.2° | 120.2° |
| C14 | C15 | C16 | 120.5° | 119.8° |
| C15 | C14 | C13 | 118.2° | 119.7° |
| C14 | C15 | H10 | 119.8° | 120.0° |
| C15 | C16 | C11 | 121.2° | 120.2° |
| C16 | C15 | H10 | 119.7° | 120.2° |
| C15 | C16 | H17 | 119.4° | 119.9° |
| C14 | C13 | C12 | 120.7° | 119.8° |
| C14 | C13 | H9 | 119.6° | 120.0° |
| C16 | C11 | C12 | 118.2° | 120.3° |
| C16 | C11 | C10 | 120.6° | 119.9° |
| C11 | C16 | H17 | 119.4° | 119.9° |
| C13 | C12 | C11 | 121.1° | 120.1° |
| C13 | C12 | H7 | 119.5° | 119.9° |
| C12 | C13 | H9 | 119.7° | 120.1° |
| C12 | C11 | C10 | 121.2° | 119.8° |
| C11 | C12 | H7 | 119.5° | 120.0° |
| C11 | C10 | N2 | 113.2° | 109.4° |
| C11 | C10 | H5 | 108.5° | 109.5° |
| C11 | C10 | H6 | 108.5° | 109.4° |
| C10 | N2 | C9 | 122.7° | 120.0° |
| C10 | N2 | H4 | 118.6° | 120.1° |
| N2 | C10 | H5 | 108.5° | 109.5° |
| N2 | C10 | H6 | 108.5° | 109.5° |
| N2 | C9 | O2 | 123.6° | 120.0° |
| N2 | C9 | C8 | 115.3° | 120.0° |
| C9 | N2 | H4 | 118.7° | 120.0° |
| O2 | C9 | C8 | 121.1° | 120.0° |
| C9 | C8 | C6 | 130.5° | 126.5° |
| C9 | C8 | C7 | 124.9° | 126.5° |
| C8 | C6 | N1 | 112.5° | 108.2° |
| C6 | C8 | C7 | 104.5° | 107.0° |
| C8 | C6 | H3 | 123.7° | 125.9° |
| C6 | N1 | N | 104.4° | 109.2° |
| N1 | C6 | H3 | 123.8° | 125.9° |
| C8 | C7 | N | 106.6° | 107.0° |
| C8 | C7 | N5 | 128.5° | 126.5° |
| N1 | N | C7 | 112.0° | 108.5° |
| N1 | N | C3 | 118.2° | 125.8° |
| N | C7 | N5 | 124.8° | 126.5° |
| C7 | N | C3 | 129.0° | 125.8° |
| C7 | N5 | H12 | 109.5° | 120.0° |
| C7 | N5 | H13 | 109.5° | 120.0° |
| N | C3 | C4 | 119.6° | 120.1° |
| N | C3 | C2 | 120.3° | 120.1° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C4 | C3 | C2 | 120.1° | 119.9° |
| C3 | C4 | H1 | 120.2° | 120.1° |
| C4 | C5 | C | 120.3° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C2 | C1 | 119.7° | 119.9° |
| C3 | C2 | H14 | 120.2° | 120.1° |
| C5 | C | C1 | 119.9° | 120.2° |
| C | C5 | H2 | 119.9° | 120.0° |
| C5 | C | H16 | 120.1° | 119.9° |
| C2 | C1 | C | 120.4° | 120.1° |
| C1 | C2 | H14 | 120.1° | 120.0° |
| C2 | C1 | H15 | 119.8° | 120.0° |
| C | C1 | H15 | 119.8° | 120.0° |
| C1 | C | H16 | 120.1° | 119.9° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | N5 | H13 | 109.5° | 119.9° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.4° | 109.5° |
| H37 | C31 | H38 | 109.4° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H43 | 120.5° | 120.0° |
| C29 | C28 | C27 | H44 | 120.5° | 120.0° |
| C28 | C29 | C30 | H41 | 120.3° | 120.0° |
| C28 | C29 | C30 | H42 | 120.3° | 120.0° |
| C29 | C28 | C27 | C26 | 173.2° | 180.0° |
| C28 | C29 | C30 | C31 | 56.5° | 60.0° |
| C29 | C28 | C27 | C32 | 52.8° | 60.0° |
| C29 | C28 | C27 | H34 | 66.2° | 60.0° |
| C28 | C29 | C30 | H39 | 63.7° | 179.9° |
| C28 | C29 | C30 | H40 | 176.6° | 60.0° |
| C28 | C29 | H41 | H42 | 119.2° | 120.0° |
| C29 | C28 | H43 | H44 | 118.5° | 120.0° |
| C27 | C28 | C29 | C30 | 55.5° | 60.0° |
| C28 | C27 | C26 | C25 | 99.7° | 65.0° |
| C28 | C27 | C26 | C32 | 121.0° | 120.0° |
| C28 | C27 | C26 | H34 | 120.8° | 120.0° |
| C28 | C27 | C32 | H34 | 119.0° | 120.0° |
| C28 | C27 | C32 | C31 | 53.4° | 60.0° |
| C28 | C27 | C26 | H32 | 139.2° | 175.0° |
| C28 | C27 | C26 | H33 | 21.4° | 55.0° |
| C28 | C27 | C32 | H35 | 174.0° | 180.0° |
| C28 | C27 | C32 | H36 | 67.1° | 60.0° |
| C27 | C28 | C29 | H41 | 175.8° | 60.0° |
| C27 | C28 | C29 | H42 | 64.8° | 180.0° |
| C27 | C28 | H43 | H44 | 118.5° | 120.0° |
| C29 | C30 | C31 | H39 | 120.2° | 120.0° |
| C29 | C30 | C31 | H40 | 120.1° | 120.0° |
| C29 | C30 | C31 | C32 | 56.5° | 60.0° |
| C29 | C30 | C31 | H37 | 176.7° | 60.0° |
| C29 | C30 | C31 | H38 | 63.7° | 180.0° |
| C29 | C30 | H39 | H40 | 119.6° | 120.0° |
| C30 | C29 | H41 | H42 | 119.1° | 120.0° |
| C30 | C29 | C28 | H43 | 176.0° | 60.0° |
| C30 | C29 | C28 | H44 | 65.0° | 180.0° |
| C25 | C26 | C27 | H32 | 121.1° | 120.0° |
| C25 | C26 | C27 | H33 | 121.1° | 120.0° |
| C26 | C25 | C18 | H30 | 121.5° | 120.0° |
| C26 | C25 | C18 | H31 | 121.5° | 120.0° |
| C25 | C26 | C27 | C32 | 139.3° | 175.0° |
| C26 | C25 | C18 | C19 | 145.3° | 175.0° |
| C26 | C25 | C18 | N3 | 94.8° | 65.0° |
| C26 | C25 | C18 | H18 | 27.1° | 55.0° |
| C26 | C25 | H30 | H31 | 115.2° | 120.0° |
| C25 | C26 | H32 | H33 | 116.5° | 120.0° |
| C25 | C26 | C27 | H34 | 21.1° | 55.0° |
| C27 | C26 | C25 | C18 | 48.3° | 180.0° |
| C26 | C27 | C32 | H34 | 117.9° | 120.0° |
| C26 | C27 | C32 | C31 | 176.6° | 180.0° |
| C27 | C26 | C25 | H30 | 73.2° | 60.0° |
| C27 | C26 | C25 | H31 | 169.8° | 60.0° |
| C27 | C26 | H32 | H33 | 116.5° | 120.0° |
| C26 | C27 | C32 | H35 | 62.9° | 60.0° |
| C26 | C27 | C32 | H36 | 56.0° | 59.9° |
| C26 | C27 | C28 | H43 | 66.3° | 60.0° |
| C26 | C27 | C28 | H44 | 52.7° | 60.0° |
| C30 | C31 | C32 | C27 | 56.4° | 60.0° |
| C30 | C31 | C32 | H37 | 120.2° | 120.0° |
| C30 | C31 | C32 | H38 | 120.2° | 120.0° |
| C30 | C31 | C32 | H35 | 176.9° | 180.0° |
| C30 | C31 | C32 | H36 | 64.2° | 60.0° |
| C30 | C31 | H37 | H38 | 119.5° | 120.0° |
| C31 | C30 | H39 | H40 | 119.5° | 120.0° |
| C31 | C30 | C29 | H41 | 176.7° | 60.0° |
| C31 | C30 | C29 | H42 | 63.8° | 180.0° |
| C25 | C18 | C19 | O | 6.2° | 120.0° |
| C25 | C18 | C19 | N3 | 120.7° | 120.0° |
| C25 | C18 | C19 | H18 | 118.2° | 120.0° |
| C25 | C18 | C19 | N4 | 178.9° | 60.0° |
| C25 | C18 | N3 | H18 | 121.3° | 120.0° |
| C25 | C18 | N3 | C17 | 104.7° | 85.0° |
| C25 | C18 | N3 | H8 | 75.4° | 95.0° |
| C18 | C25 | H30 | H31 | 115.2° | 120.0° |
| C18 | C25 | C26 | H32 | 72.8° | 60.0° |
| C18 | C25 | C26 | H33 | 169.4° | 60.1° |
| C27 | C32 | C31 | H35 | 120.6° | 120.0° |
| C27 | C32 | C31 | H36 | 120.6° | 120.0° |
| C32 | C27 | C26 | H32 | 18.2° | 55.0° |
| C32 | C27 | C26 | H33 | 99.6° | 65.0° |
| C27 | C32 | H35 | H36 | 118.3° | 120.0° |
| C27 | C32 | C31 | H37 | 176.5° | 60.0° |
| C27 | C32 | C31 | H38 | 63.8° | 180.0° |
| C32 | C27 | C28 | H43 | 173.3° | 60.0° |
| C32 | C27 | C28 | H44 | 67.7° | 180.0° |
| O | C19 | C18 | N4 | 174.9° | 179.9° |
| O | C19 | C18 | N3 | 114.5° | 0.0° |
| O | C19 | N4 | C20 | 7.4° | 0.1° |
| O | C19 | N4 | H11 | 172.7° | 180.0° |
| O | C19 | C18 | H18 | 124.4° | 120.0° |
| C31 | C32 | C27 | H34 | 65.5° | 60.0° |
| C31 | C32 | H35 | H36 | 118.3° | 120.0° |
| C32 | C31 | H37 | H38 | 119.5° | 120.0° |
| C32 | C31 | C30 | H39 | 63.7° | 180.0° |
| C32 | C31 | C30 | H40 | 176.6° | 60.0° |
| C19 | C18 | N3 | H18 | 120.6° | 120.0° |
| C19 | C18 | N3 | C17 | 137.3° | 155.0° |
| C18 | C19 | N4 | C20 | 178.0° | 180.0° |
| C19 | C18 | N3 | H8 | 42.7° | 25.0° |
| C18 | C19 | N4 | H11 | 1.9° | 0.1° |
| C19 | C18 | C25 | H30 | 23.8° | 65.0° |
| C19 | C18 | C25 | H31 | 93.2° | 55.0° |
| N4 | C19 | C18 | N3 | 60.4° | 180.0° |
| C19 | N4 | C20 | C21 | 86.9° | 180.0° |
| C19 | N4 | C20 | H11 | 180.0° | 179.9° |
| N4 | C19 | C18 | H18 | 60.7° | 59.9° |
| C19 | N4 | C20 | H19 | 152.9° | 59.9° |
| C19 | N4 | C20 | H20 | 33.3° | 60.1° |
| C18 | N3 | C17 | H8 | 180.0° | 180.0° |
| C18 | N3 | C17 | O1 | 0.9° | 0.0° |
| C18 | N3 | C17 | C14 | 177.8° | 180.0° |
| N3 | C18 | C25 | H30 | 143.8° | 55.0° |
| N3 | C18 | C25 | H31 | 26.8° | 175.0° |
| N3 | C17 | O1 | C14 | 178.7° | 179.9° |
| N3 | C17 | C14 | C15 | 19.4° | 0.1° |
| N3 | C17 | C14 | C13 | 164.7° | 180.0° |
| C17 | N3 | C18 | H18 | 16.7° | 35.0° |
| C20 | C21 | C22 | H21 | 121.1° | 120.1° |
| C20 | C21 | C22 | H22 | 121.1° | 120.0° |
| C21 | C20 | N4 | H19 | 120.2° | 120.1° |
| C21 | C20 | N4 | H20 | 120.2° | 119.9° |
| C20 | C21 | C22 | C24 | 5.3° | 65.0° |
| C20 | C21 | C22 | C23 | 123.8° | 175.0° |
| C21 | C20 | N4 | H11 | 93.1° | 0.1° |
| C21 | C20 | H19 | H20 | 119.4° | 120.0° |
| C20 | C21 | H21 | H22 | 116.5° | 120.0° |
| C20 | C21 | C22 | H23 | 122.1° | 55.0° |
| C22 | C21 | C20 | N4 | 170.5° | 180.0° |
| C21 | C22 | C24 | C23 | 129.1° | 120.0° |
| C21 | C22 | C24 | H23 | 116.8° | 120.0° |
| C21 | C22 | C23 | H23 | 114.1° | 120.0° |
| C22 | C21 | C20 | H19 | 50.2° | 60.0° |
| C22 | C21 | C20 | H20 | 69.3° | 60.0° |
| C22 | C21 | H21 | H22 | 116.6° | 120.0° |
| C21 | C22 | C24 | H24 | 180.0° | 180.0° |
| C21 | C22 | C24 | H25 | 60.0° | 60.0° |
| C21 | C22 | C24 | H26 | 60.0° | 60.0° |
| C21 | C22 | C23 | H27 | 180.0° | 60.0° |
| C21 | C22 | C23 | H28 | 60.0° | 180.0° |
| C21 | C22 | C23 | H29 | 60.0° | 60.0° |
| N4 | C20 | H19 | H20 | 119.4° | 120.0° |
| N4 | C20 | C21 | H21 | 49.4° | 59.9° |
| N4 | C20 | C21 | H22 | 68.4° | 60.1° |
| C24 | C22 | C23 | H23 | 113.9° | 120.0° |
| C24 | C22 | C21 | H21 | 126.4° | 55.0° |
| C24 | C22 | C21 | H22 | 115.8° | 175.0° |
| C22 | C24 | H24 | H25 | 120.0° | 120.0° |
| C22 | C24 | H24 | H26 | 120.0° | 120.0° |
| C22 | C24 | H25 | H26 | 120.0° | 120.0° |
| C24 | C22 | C23 | H27 | 48.0° | 180.0° |
| C24 | C22 | C23 | H28 | 72.0° | 60.0° |
| C24 | C22 | C23 | H29 | 168.0° | 59.9° |
| C23 | C22 | C21 | H21 | 2.7° | 65.0° |
| C23 | C22 | C21 | H22 | 115.2° | 55.0° |
| C23 | C22 | C24 | H24 | 50.8° | 60.0° |
| C23 | C22 | C24 | H25 | 170.8° | 180.0° |
| C23 | C22 | C24 | H26 | 69.2° | 60.0° |
| C22 | C23 | H27 | H28 | 120.0° | 119.9° |
| C22 | C23 | H27 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| O1 | C17 | C14 | C15 | 161.9° | 180.0° |
| O1 | C17 | C14 | C13 | 14.1° | 0.1° |
| O1 | C17 | N3 | H8 | 179.1° | 180.0° |
| C17 | C14 | C15 | C13 | 175.9° | 179.9° |
| C17 | C14 | C15 | C16 | 174.3° | 179.8° |
| C17 | C14 | C13 | C12 | 174.4° | 180.0° |
| C14 | C17 | N3 | H8 | 2.2° | 0.0° |
| C17 | C14 | C13 | H9 | 5.6° | 0.0° |
| C17 | C14 | C15 | H10 | 5.7° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 0.6° | 0.5° |
| C15 | C14 | C13 | C12 | 1.8° | 0.1° |
| C15 | C14 | C13 | H9 | 178.2° | 180.0° |
| C14 | C15 | C16 | H17 | 179.4° | 180.0° |
| C16 | C15 | C14 | C13 | 1.6° | 0.3° |
| C15 | C16 | C11 | H17 | 180.0° | 179.5° |
| C15 | C16 | C11 | C12 | 0.2° | 0.6° |
| C15 | C16 | C11 | C10 | 178.1° | 179.8° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.1° |
| C14 | C13 | C12 | H7 | 178.9° | 180.0° |
| C13 | C14 | C15 | H10 | 178.4° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.3° |
| C16 | C11 | C12 | C10 | 177.9° | 179.7° |
| C16 | C11 | C10 | N2 | 171.6° | 90.3° |
| C16 | C11 | C10 | H5 | 67.9° | 149.7° |
| C16 | C11 | C10 | H6 | 51.0° | 29.7° |
| C16 | C11 | C12 | H7 | 179.9° | 179.8° |
| C11 | C16 | C15 | H10 | 179.4° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 177.9° | 180.0° |
| C12 | C11 | C10 | N2 | 10.5° | 90.1° |
| C12 | C11 | C10 | H5 | 110.0° | 30.0° |
| C12 | C11 | C10 | H6 | 131.1° | 150.0° |
| C11 | C12 | C13 | H9 | 178.9° | 179.9° |
| C12 | C11 | C16 | H17 | 179.8° | 179.9° |
| C11 | C10 | N2 | H5 | 120.5° | 120.0° |
| C11 | C10 | N2 | H6 | 120.6° | 119.9° |
| C11 | C10 | N2 | C9 | 88.2° | 180.0° |
| C11 | C10 | N2 | H4 | 91.8° | 0.0° |
| C11 | C10 | H5 | H6 | 118.3° | 120.0° |
| C10 | C11 | C12 | H7 | 2.1° | 0.1° |
| C10 | C11 | C16 | H17 | 1.9° | 0.3° |
| C10 | N2 | C9 | H4 | 180.0° | 180.0° |
| C10 | N2 | C9 | O2 | 3.2° | 0.0° |
| C10 | N2 | C9 | C8 | 175.4° | 180.0° |
| N2 | C10 | H5 | H6 | 118.3° | 120.0° |
| N2 | C9 | O2 | C8 | 178.5° | 180.0° |
| N2 | C9 | C8 | C6 | 8.0° | 0.0° |
| N2 | C9 | C8 | C7 | 176.8° | 179.9° |
| C9 | N2 | C10 | H5 | 32.4° | 60.0° |
| C9 | N2 | C10 | H6 | 151.2° | 60.1° |
| O2 | C9 | C8 | C6 | 170.6° | 180.0° |
| O2 | C9 | C8 | C7 | 4.6° | 0.0° |
| O2 | C9 | N2 | H4 | 176.8° | 180.0° |
| C9 | C8 | C6 | C7 | 175.9° | 180.0° |
| C9 | C8 | C6 | N1 | 175.3° | 180.0° |
| C9 | C8 | C7 | N | 174.5° | 180.0° |
| C9 | C8 | C7 | N5 | 3.2° | 0.1° |
| C9 | C8 | C6 | H3 | 4.7° | 0.3° |
| C8 | C9 | N2 | H4 | 4.6° | 0.0° |
| C8 | C6 | N1 | H3 | 180.0° | 179.7° |
| C8 | C6 | N1 | N | 0.8° | 0.0° |
| C6 | C8 | C7 | N | 1.7° | 0.0° |
| C6 | C8 | C7 | N5 | 179.4° | 180.0° |
| N1 | C6 | C8 | C7 | 0.6° | 0.0° |
| C6 | N1 | N | C7 | 2.0° | 0.0° |
| C6 | N1 | N | C3 | 168.5° | 180.0° |
| C8 | C7 | N | N1 | 2.4° | 0.0° |
| C8 | C7 | N | N5 | 177.8° | 180.0° |
| C8 | C7 | N | C3 | 166.8° | 180.0° |
| C7 | C8 | C6 | H3 | 179.4° | 179.7° |
| C8 | C7 | N5 | H12 | 180.0° | 180.0° |
| C8 | C7 | N5 | H13 | 60.0° | 0.0° |
| N1 | N | C7 | C3 | 169.2° | 180.0° |
| N1 | N | C7 | N5 | 179.9° | 180.0° |
| N1 | N | C3 | C4 | 70.2° | 35.0° |
| N1 | N | C3 | C2 | 110.7° | 145.0° |
| N | N1 | C6 | H3 | 179.2° | 179.7° |
| C7 | N | C3 | C4 | 98.4° | 145.0° |
| C7 | N | C3 | C2 | 80.7° | 35.0° |
| N | C7 | N5 | H12 | 2.7° | 0.0° |
| N | C7 | N5 | H13 | 117.3° | 179.9° |
| N5 | C7 | N | C3 | 10.9° | 0.0° |
| C7 | N5 | H12 | H13 | 120.0° | 179.9° |
| N | C3 | C4 | C2 | 179.1° | 180.0° |
| N | C3 | C4 | C5 | 178.6° | 180.0° |
| N | C3 | C2 | C1 | 178.7° | 180.0° |
| N | C3 | C4 | H1 | 1.4° | 0.3° |
| N | C3 | C2 | H14 | 1.3° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C4 | C3 | C2 | H14 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C | H2 | 180.0° | 179.9° |
| C4 | C5 | C | C1 | 0.4° | 0.1° |
| C4 | C5 | C | H16 | 179.6° | 180.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 179.5° | 179.7° |
| C3 | C2 | C1 | H15 | 179.9° | 180.0° |
| C5 | C | C1 | C2 | 0.5° | 0.1° |
| C5 | C | C1 | H16 | 180.0° | 180.0° |
| C | C5 | C4 | H1 | 179.9° | 179.7° |
| C5 | C | C1 | H15 | 179.5° | 180.0° |
| C2 | C1 | C | H15 | 180.0° | 180.0° |
| C2 | C1 | C | H16 | 179.5° | 180.0° |
| C1 | C | C5 | H2 | 179.6° | 180.0° |
| C | C1 | C2 | H14 | 179.9° | 180.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.4° |
| H2 | C5 | C | H16 | 0.4° | 0.1° |
| H4 | N2 | C10 | H5 | 147.6° | 120.0° |
| H4 | N2 | C10 | H6 | 28.7° | 120.0° |
| H7 | C12 | C13 | H9 | 1.1° | 0.1° |
| H8 | N3 | C18 | H18 | 163.3° | 145.0° |
| H10 | C15 | C16 | H17 | 0.6° | 0.2° |
| H11 | N4 | C20 | H19 | 27.1° | 120.0° |
| H11 | N4 | C20 | H20 | 146.7° | 120.0° |
| H14 | C2 | C1 | H15 | 0.1° | 0.1° |
| H15 | C1 | C | H16 | 0.5° | 0.0° |
| H18 | C18 | C25 | H30 | 94.4° | 175.1° |
| H18 | C18 | C25 | H31 | 148.6° | 65.0° |
| H19 | C20 | C21 | H21 | 70.9° | NaN° |
| H19 | C20 | C21 | H22 | 171.3° | 60.0° |
| H20 | C20 | C21 | H21 | 169.6° | 60.0° |
| H20 | C20 | C21 | H22 | 51.8° | 180.0° |
| H21 | C21 | C22 | H23 | 116.8° | 175.0° |
| H22 | C21 | C22 | H23 | 1.0° | 65.0° |
| H23 | C22 | C24 | H24 | 63.2° | 60.0° |
| H23 | C22 | C24 | H25 | 56.8° | 60.0° |
| H23 | C22 | C24 | H26 | 176.8° | 180.0° |
| H23 | C22 | C23 | H27 | 65.9° | 59.9° |
| H23 | C22 | C23 | H28 | 174.1° | 60.0° |
| H23 | C22 | C23 | H29 | 54.1° | 180.0° |
| H24 | C24 | H25 | H26 | 120.0° | 120.1° |
| H27 | C23 | H28 | H29 | 120.0° | 120.1° |
| H30 | C25 | C26 | H32 | 165.8° | 179.9° |
| H30 | C25 | C26 | H33 | 47.9° | 60.0° |
| H31 | C25 | C26 | H32 | 48.7° | 60.0° |
| H31 | C25 | C26 | H33 | 69.1° | 179.9° |
| H32 | C26 | C27 | H34 | 100.0° | 65.0° |
| H33 | C26 | C27 | H34 | 142.2° | 175.0° |
| H34 | C27 | C32 | H35 | 55.1° | 60.0° |
| H34 | C27 | C32 | H36 | 173.9° | 180.0° |
| H34 | C27 | C28 | H43 | 54.3° | 180.0° |
| H34 | C27 | C28 | H44 | 173.3° | 60.0° |
| H35 | C32 | C31 | H37 | 62.9° | 60.0° |
| H35 | C32 | C31 | H38 | 56.7° | 60.0° |
| H36 | C32 | C31 | H37 | 56.0° | 180.0° |
| H36 | C32 | C31 | H38 | 175.6° | 60.0° |
| H37 | C31 | C30 | H39 | 56.5° | 60.0° |
| H37 | C31 | C30 | H40 | 63.2° | 179.9° |
| H38 | C31 | C30 | H39 | 176.1° | 60.0° |
| H38 | C31 | C30 | H40 | 56.4° | 60.1° |
| H39 | C30 | C29 | H41 | 56.6° | 59.9° |
| H39 | C30 | C29 | H42 | 176.0° | 60.1° |
| H40 | C30 | C29 | H41 | 63.1° | 180.0° |
| H40 | C30 | C29 | H42 | 56.3° | 60.0° |
| H41 | C29 | C28 | H43 | 63.7° | 180.0° |
| H41 | C29 | C28 | H44 | 55.3° | 60.0° |
| H42 | C29 | C28 | H43 | 55.7° | 60.0° |
| H42 | C29 | C28 | H44 | 174.8° | 60.0° |
