O98
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C27 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C25 | C18 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| O | C19 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| N4 | C20 | sing | 1.46Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C17 | O1 | doub | 1.22Å | 1.23Å | |
| C17 | C14 | sing | 1.48Å | 1.50Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.47Å | |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | 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 | 1.47Å | |
| 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 | 1.34Å | |
| N | C3 | sing | 1.40Å | 1.43Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | 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 | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | 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) |
| C31 | C32 | C27 | 113.3° | 109.5° |
| C32 | C31 | C30 | 111.2° | 109.5° |
| C31 | C32 | H35 | 108.5° | 109.5° |
| C31 | C32 | H36 | 108.5° | 109.5° |
| C32 | C31 | H37 | 109.0° | 109.4° |
| C32 | C31 | H38 | 109.0° | 109.5° |
| C32 | C27 | C26 | 111.2° | 109.5° |
| C32 | C27 | C28 | 110.4° | 109.5° |
| C32 | C27 | H34 | 109.0° | 109.5° |
| C27 | C32 | H35 | 108.5° | 109.5° |
| C27 | C32 | H36 | 108.5° | 109.5° |
| C31 | C30 | C29 | 110.5° | 109.5° |
| C30 | C31 | H37 | 109.0° | 109.5° |
| C30 | C31 | H38 | 109.0° | 109.5° |
| C31 | C30 | H39 | 109.2° | 109.5° |
| C31 | C30 | H40 | 109.2° | 109.5° |
| C25 | C26 | C27 | 117.1° | 109.5° |
| C26 | C25 | C18 | 122.6° | 109.5° |
| C26 | C25 | H30 | 106.1° | 109.5° |
| C26 | C25 | H31 | 106.1° | 109.4° |
| C25 | C26 | H32 | 107.5° | 109.5° |
| C25 | C26 | H33 | 107.6° | 109.5° |
| C26 | C27 | C28 | 108.4° | 109.5° |
| C27 | C26 | H32 | 107.6° | 109.5° |
| C27 | C26 | H33 | 107.5° | 109.4° |
| C26 | C27 | H34 | 108.8° | 109.4° |
| C30 | C29 | C28 | 110.9° | 109.5° |
| C29 | C30 | H39 | 109.2° | 109.4° |
| C29 | C30 | H40 | 109.2° | 109.5° |
| C30 | C29 | H41 | 109.1° | 109.5° |
| C30 | C29 | H42 | 109.1° | 109.5° |
| C25 | C18 | C19 | 106.3° | 109.5° |
| C25 | C18 | N3 | 111.1° | 109.5° |
| C25 | C18 | H18 | 109.0° | 109.5° |
| C18 | C25 | H30 | 106.1° | 109.5° |
| C18 | C25 | H31 | 106.1° | 109.5° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C28 | C27 | H34 | 109.1° | 109.5° |
| C27 | C28 | H43 | 108.3° | 109.5° |
| C27 | C28 | H44 | 108.3° | 109.5° |
| O | C19 | C18 | 119.3° | 120.0° |
| O | C19 | N4 | 123.6° | 120.0° |
| C28 | C29 | H41 | 109.1° | 109.5° |
| C28 | C29 | H42 | 109.1° | 109.4° |
| C29 | C28 | H43 | 108.3° | 109.5° |
| C29 | C28 | H44 | 108.3° | 109.4° |
| C18 | C19 | N4 | 117.0° | 120.0° |
| C19 | C18 | N3 | 111.5° | 109.5° |
| C19 | C18 | H18 | 109.0° | 109.5° |
| C19 | N4 | C20 | 123.7° | 120.0° |
| C19 | N4 | H11 | 118.1° | 120.0° |
| C22 | C21 | C20 | 112.9° | 109.5° |
| C22 | C21 | H25 | 108.6° | 109.4° |
| C22 | C21 | H26 | 108.6° | 109.4° |
| C21 | C22 | H27 | 109.5° | 109.4° |
| C21 | C22 | H28 | 109.4° | 109.5° |
| C21 | C22 | H29 | 109.4° | 109.5° |
| C18 | N3 | C17 | 123.5° | 120.1° |
| C18 | N3 | H8 | 118.2° | 119.9° |
| N3 | C18 | H18 | 109.9° | 109.4° |
| N3 | C17 | O1 | 122.7° | 120.0° |
| N3 | C17 | C14 | 117.3° | 120.0° |
| C17 | N3 | H8 | 118.3° | 120.0° |
| N4 | C20 | C21 | 110.9° | 109.5° |
| N4 | C20 | C23 | 111.2° | 109.5° |
| C20 | N4 | H11 | 118.2° | 120.0° |
| N4 | C20 | H19 | 110.3° | 109.5° |
| C21 | C20 | C23 | 105.4° | 109.5° |
| C21 | C20 | H19 | 109.4° | 109.5° |
| C20 | C21 | H25 | 108.6° | 109.5° |
| C20 | C21 | H26 | 108.6° | 109.5° |
| C20 | C23 | C24 | 115.3° | 109.5° |
| C23 | C20 | H19 | 109.5° | 109.5° |
| C20 | C23 | H20 | 108.0° | 109.5° |
| C20 | C23 | H21 | 108.0° | 109.5° |
| O1 | C17 | C14 | 120.0° | 120.0° |
| C17 | C14 | C13 | 124.4° | 120.1° |
| C17 | C14 | C15 | 117.2° | 120.1° |
| C14 | C13 | C12 | 120.5° | 119.9° |
| C13 | C14 | C15 | 118.3° | 119.7° |
| C14 | C13 | H9 | 119.7° | 120.1° |
| C13 | C12 | C11 | 121.2° | 120.1° |
| C13 | C12 | H7 | 119.4° | 119.9° |
| C12 | C13 | H9 | 119.8° | 120.1° |
| C24 | C23 | H20 | 108.0° | 109.5° |
| C24 | C23 | H21 | 108.0° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.4° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C14 | C15 | C16 | 120.7° | 119.8° |
| C14 | C15 | H10 | 119.6° | 120.1° |
| C12 | C11 | C16 | 118.3° | 120.2° |
| C12 | C11 | C10 | 119.9° | 119.8° |
| C11 | C12 | H7 | 119.4° | 120.0° |
| C15 | C16 | C11 | 121.0° | 120.2° |
| C16 | C15 | H10 | 119.7° | 120.0° |
| C15 | C16 | H17 | 119.5° | 119.9° |
| C16 | C11 | C10 | 121.7° | 119.9° |
| C11 | C16 | H17 | 119.5° | 119.9° |
| C11 | C10 | N2 | 114.3° | 109.5° |
| C11 | C10 | H5 | 108.3° | 109.4° |
| C11 | C10 | H6 | 108.2° | 109.5° |
| C10 | N2 | C9 | 122.6° | 120.0° |
| C10 | N2 | H4 | 118.7° | 120.0° |
| N2 | C10 | H5 | 108.3° | 109.5° |
| N2 | C10 | H6 | 108.3° | 109.5° |
| N2 | C9 | O2 | 123.3° | 120.0° |
| N2 | C9 | C8 | 116.0° | 120.0° |
| C9 | N2 | H4 | 118.7° | 120.0° |
| O2 | C9 | C8 | 120.6° | 120.0° |
| C9 | C8 | C6 | 130.2° | 126.5° |
| C9 | C8 | C7 | 125.1° | 126.5° |
| C8 | C6 | N1 | 112.5° | 108.2° |
| C6 | C8 | C7 | 104.4° | 107.0° |
| C8 | C6 | H3 | 123.8° | 125.9° |
| C6 | N1 | N | 104.5° | 109.2° |
| N1 | C6 | H3 | 123.7° | 125.8° |
| C8 | C7 | N | 106.6° | 107.1° |
| C8 | C7 | N5 | 129.2° | 126.5° |
| N1 | N | C7 | 112.0° | 108.5° |
| N1 | N | C3 | 118.4° | 125.7° |
| N | C7 | N5 | 124.2° | 126.4° |
| C7 | N | C3 | 129.3° | 125.8° |
| C7 | N5 | H12 | 109.5° | 120.1° |
| C7 | N5 | H13 | 109.5° | 120.0° |
| N | C3 | C4 | 119.7° | 120.1° |
| N | C3 | C2 | 120.2° | 120.1° |
| C4 | C3 | C2 | 120.1° | 119.8° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C3 | C2 | H14 | 120.2° | 120.0° |
| C4 | C5 | C | 120.3° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C2 | C1 | C | 120.4° | 120.0° |
| C1 | C2 | H14 | 120.2° | 120.0° |
| C2 | C1 | H15 | 119.8° | 120.0° |
| C5 | C | C1 | 119.9° | 120.2° |
| C | C5 | H2 | 119.9° | 120.0° |
| C5 | C | H16 | 120.0° | 119.9° |
| C | C1 | H15 | 119.8° | 119.9° |
| C1 | C | H16 | 120.0° | 119.9° |
| H5 | C10 | H6 | 109.4° | 109.4° |
| H12 | N5 | H13 | 109.4° | 120.0° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H24 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H27 | C22 | H29 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.4° | 109.4° |
| H32 | C26 | H33 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.4° | 109.5° |
| H37 | C31 | H38 | 109.5° | 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) |
| C31 | C32 | C27 | H35 | 120.6° | 120.0° |
| C31 | C32 | C27 | H36 | 120.6° | 120.0° |
| C32 | C31 | C30 | H37 | 120.3° | 119.9° |
| C32 | C31 | C30 | H38 | 120.3° | 120.0° |
| C31 | C32 | C27 | C26 | 169.7° | 180.0° |
| C32 | C31 | C30 | C29 | 58.1° | 60.0° |
| C31 | C32 | C27 | C28 | 49.3° | 60.0° |
| C31 | C32 | C27 | H34 | 70.5° | 60.0° |
| C31 | C32 | H35 | H36 | 118.3° | 120.0° |
| C32 | C31 | H37 | H38 | 119.2° | 120.0° |
| C32 | C31 | C30 | H39 | 62.0° | 60.0° |
| C32 | C31 | C30 | H40 | 178.3° | 180.0° |
| C27 | C32 | C31 | C30 | 54.8° | 60.0° |
| C32 | C27 | C26 | C25 | 109.4° | 65.0° |
| C32 | C27 | C26 | C28 | 121.6° | 120.0° |
| C32 | C27 | C26 | H34 | 120.0° | 120.0° |
| C32 | C27 | C28 | H34 | 119.7° | 120.0° |
| C32 | C27 | C28 | C29 | 49.3° | 60.0° |
| C32 | C27 | C26 | H32 | 129.5° | 175.0° |
| C32 | C27 | C26 | H33 | 11.7° | 55.1° |
| C27 | C32 | H35 | H36 | 118.3° | 120.0° |
| C27 | C32 | C31 | H37 | 175.0° | 180.0° |
| C27 | C32 | C31 | H38 | 65.5° | 60.0° |
| C32 | C27 | C28 | H43 | 169.9° | 180.0° |
| C32 | C27 | C28 | H44 | 71.4° | 60.0° |
| C31 | C30 | C29 | H39 | 120.1° | 120.0° |
| C31 | C30 | C29 | H40 | 120.2° | 120.0° |
| C31 | C30 | C29 | C28 | 57.4° | 60.0° |
| C30 | C31 | C32 | H35 | 175.3° | 60.0° |
| C30 | C31 | C32 | H36 | 65.8° | 180.0° |
| C30 | C31 | H37 | H38 | 119.2° | 120.0° |
| C31 | C30 | H39 | H40 | 119.5° | 120.0° |
| C31 | C30 | C29 | H41 | 177.6° | 180.0° |
| C31 | C30 | C29 | H42 | 62.8° | 60.0° |
| C25 | C26 | C27 | H32 | 121.1° | 120.1° |
| C25 | C26 | C27 | H33 | 121.1° | 120.0° |
| C26 | C25 | C18 | H30 | 121.8° | 120.0° |
| C26 | C25 | C18 | H31 | 121.8° | 120.0° |
| C25 | C26 | C27 | C28 | 129.0° | 175.0° |
| C26 | C25 | C18 | C19 | 135.9° | 175.0° |
| C26 | C25 | C18 | N3 | 102.6° | 65.0° |
| C26 | C25 | C18 | H18 | 18.6° | 55.0° |
| C26 | C25 | H30 | H31 | 114.1° | 119.9° |
| C25 | C26 | H32 | H33 | 116.6° | 120.0° |
| C25 | C26 | C27 | H34 | 10.6° | 55.0° |
| C27 | C26 | C25 | C18 | 36.4° | 180.0° |
| C26 | C27 | C28 | H34 | 118.2° | 120.0° |
| C26 | C27 | C28 | C29 | 171.3° | 180.0° |
| C27 | C26 | C25 | H30 | 85.5° | 59.9° |
| C27 | C26 | C25 | H31 | 158.2° | 60.0° |
| C27 | C26 | H32 | H33 | 116.5° | 119.9° |
| C26 | C27 | C32 | H35 | 69.7° | 60.0° |
| C26 | C27 | C32 | H36 | 49.1° | 59.9° |
| C26 | C27 | C28 | H43 | 68.0° | 60.0° |
| C26 | C27 | C28 | H44 | 50.7° | 60.0° |
| C30 | C29 | C28 | C27 | 54.2° | 60.0° |
| C30 | C29 | C28 | H41 | 120.2° | 120.1° |
| C30 | C29 | C28 | H42 | 120.2° | 120.0° |
| C29 | C30 | C31 | H37 | 178.4° | 180.0° |
| C29 | C30 | C31 | H38 | 62.2° | 60.0° |
| C29 | C30 | H39 | H40 | 119.6° | 120.0° |
| C30 | C29 | H41 | H42 | 119.4° | 120.0° |
| C30 | C29 | C28 | H43 | 174.9° | 180.0° |
| C30 | C29 | C28 | H44 | 66.5° | 60.0° |
| C25 | C18 | C19 | O | 11.0° | 120.0° |
| C25 | C18 | C19 | N3 | 121.2° | 120.0° |
| C25 | C18 | C19 | H18 | 117.4° | 120.1° |
| C25 | C18 | C19 | N4 | 169.0° | 60.0° |
| C25 | C18 | N3 | H18 | 120.7° | 120.0° |
| C25 | C18 | N3 | C17 | 104.6° | 155.0° |
| C25 | C18 | N3 | H8 | 75.4° | 25.0° |
| C18 | C25 | H30 | H31 | 114.1° | 120.0° |
| C18 | C25 | C26 | H32 | 84.7° | 60.0° |
| C18 | C25 | C26 | H33 | 157.5° | 60.0° |
| C27 | C28 | C29 | H43 | 120.7° | 120.1° |
| C27 | C28 | C29 | H44 | 120.7° | 120.0° |
| C28 | C27 | C26 | H32 | 7.9° | 54.9° |
| C28 | C27 | C26 | H33 | 109.9° | 65.0° |
| C28 | C27 | C32 | H35 | 169.9° | 60.0° |
| C28 | C27 | C32 | H36 | 71.3° | 180.0° |
| C27 | C28 | C29 | H41 | 174.4° | 180.0° |
| C27 | C28 | C29 | H42 | 66.1° | 60.0° |
| C27 | C28 | H43 | H44 | 117.9° | 120.0° |
| O | C19 | C18 | N4 | 180.0° | 180.0° |
| O | C19 | C18 | N3 | 110.1° | 0.0° |
| O | C19 | N4 | C20 | 4.9° | 0.0° |
| O | C19 | N4 | H11 | 175.1° | 180.0° |
| O | C19 | C18 | H18 | 128.4° | 120.0° |
| C29 | C28 | C27 | H34 | 70.4° | 60.0° |
| C28 | C29 | C30 | H39 | 62.7° | 60.1° |
| C28 | C29 | C30 | H40 | 177.6° | 180.0° |
| C28 | C29 | H41 | H42 | 119.3° | 120.0° |
| C29 | C28 | H43 | H44 | 117.9° | 119.9° |
| C19 | C18 | N3 | H18 | 121.0° | 120.0° |
| C19 | C18 | N3 | C17 | 137.1° | 85.0° |
| C18 | C19 | N4 | C20 | 175.1° | 180.0° |
| C19 | C18 | N3 | H8 | 42.9° | 95.0° |
| C18 | C19 | N4 | H11 | 5.0° | 0.1° |
| C19 | C18 | C25 | H30 | 14.1° | 65.0° |
| C19 | C18 | C25 | H31 | 102.2° | 55.0° |
| N4 | C19 | C18 | N3 | 69.8° | 179.9° |
| C19 | N4 | C20 | H11 | 180.0° | 179.9° |
| C19 | N4 | C20 | C21 | 114.3° | 85.0° |
| C19 | N4 | C20 | C23 | 128.7° | 155.0° |
| N4 | C19 | C18 | H18 | 51.7° | 60.0° |
| C19 | N4 | C20 | H19 | 7.1° | 35.0° |
| C22 | C21 | C20 | N4 | 70.6° | 65.0° |
| C22 | C21 | C20 | H25 | 120.5° | 120.0° |
| C22 | C21 | C20 | H26 | 120.5° | 120.0° |
| C22 | C21 | C20 | C23 | 168.9° | 175.0° |
| C22 | C21 | C20 | H19 | 51.3° | 55.0° |
| C22 | C21 | H25 | H26 | 118.5° | 119.9° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| C21 | C22 | H27 | H29 | 120.0° | 120.0° |
| C21 | C22 | H28 | H29 | 120.0° | 120.1° |
| C18 | N3 | C17 | H8 | 180.0° | 180.0° |
| C18 | N3 | C17 | O1 | 1.9° | 0.1° |
| C18 | N3 | C17 | C14 | 179.9° | 180.0° |
| N3 | C18 | C25 | H30 | 135.6° | 55.0° |
| N3 | C18 | C25 | H31 | 19.2° | 175.0° |
| N3 | C17 | O1 | C14 | 178.2° | 179.9° |
| N3 | C17 | C14 | C13 | 23.4° | 180.0° |
| N3 | C17 | C14 | C15 | 160.9° | 0.0° |
| C17 | N3 | C18 | H18 | 16.2° | 35.0° |
| N4 | C20 | C21 | C23 | 120.5° | 120.0° |
| N4 | C20 | C21 | H19 | 121.9° | 120.0° |
| N4 | C20 | C23 | H19 | 122.1° | 120.0° |
| N4 | C20 | C23 | C24 | 42.5° | 65.0° |
| N4 | C20 | C23 | H20 | 78.3° | 55.0° |
| N4 | C20 | C23 | H21 | 163.4° | 175.0° |
| N4 | C20 | C21 | H25 | 49.9° | 175.0° |
| N4 | C20 | C21 | H26 | 168.8° | 55.0° |
| C21 | C20 | C23 | H19 | 117.6° | 120.0° |
| C21 | C20 | C23 | C24 | 162.8° | 175.0° |
| C21 | C20 | N4 | H11 | 65.7° | 94.9° |
| C21 | C20 | C23 | H20 | 42.0° | 65.0° |
| C21 | C20 | C23 | H21 | 76.3° | 55.0° |
| C20 | C21 | H25 | H26 | 118.4° | 120.1° |
| C20 | C21 | C22 | H27 | 180.0° | 60.0° |
| C20 | C21 | C22 | H28 | 60.0° | 59.9° |
| C20 | C21 | C22 | H29 | 60.0° | 180.0° |
| C20 | C23 | C24 | H20 | 120.8° | 120.0° |
| C20 | C23 | C24 | H21 | 120.9° | 120.0° |
| C23 | C20 | N4 | H11 | 51.3° | 25.1° |
| C20 | C23 | H20 | H21 | 117.4° | 120.0° |
| C20 | C23 | C24 | H22 | 180.0° | 60.0° |
| C20 | C23 | C24 | H23 | 60.0° | 180.0° |
| C20 | C23 | C24 | H24 | 60.0° | 60.0° |
| C23 | C20 | C21 | H25 | 70.6° | 55.0° |
| C23 | C20 | C21 | H26 | 48.4° | 65.0° |
| O1 | C17 | C14 | C13 | 154.8° | 0.0° |
| O1 | C17 | C14 | C15 | 20.9° | 180.0° |
| O1 | C17 | N3 | H8 | 178.1° | 180.0° |
| C17 | C14 | C13 | C15 | 175.7° | 180.0° |
| C17 | C14 | C13 | C12 | 175.2° | 180.0° |
| C17 | C14 | C15 | C16 | 175.6° | 179.9° |
| C14 | C17 | N3 | H8 | 0.1° | 0.0° |
| C17 | C14 | C13 | H9 | 4.8° | 0.0° |
| C17 | C14 | C15 | H10 | 4.4° | 0.0° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | C15 | H10 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.7° | 0.0° |
| C13 | C12 | C11 | C10 | 178.4° | 179.8° |
| C24 | C23 | C20 | H19 | 79.6° | 55.0° |
| C24 | C23 | H20 | H21 | 117.4° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H24 | 120.0° | 120.0° |
| C23 | C24 | H23 | H24 | 120.0° | 120.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.2° | 0.1° |
| C15 | C14 | C13 | H9 | 179.5° | 180.0° |
| C14 | C15 | C16 | H17 | 179.8° | 179.8° |
| C12 | C11 | C16 | C15 | 0.8° | 0.0° |
| C12 | C11 | C16 | C10 | 179.1° | 179.7° |
| C12 | C11 | C10 | N2 | 164.7° | 89.7° |
| C12 | C11 | C10 | H5 | 74.5° | 150.3° |
| C12 | C11 | C10 | H6 | 44.0° | 30.3° |
| C11 | C12 | C13 | H9 | 179.9° | 180.0° |
| C12 | C11 | C16 | H17 | 179.2° | 179.7° |
| C15 | C16 | C11 | H17 | 180.0° | 179.7° |
| C15 | C16 | C11 | C10 | 178.4° | 179.7° |
| C16 | C11 | C10 | N2 | 14.4° | 90.0° |
| C16 | C11 | C10 | H5 | 106.3° | 30.0° |
| C16 | C11 | C10 | H6 | 135.1° | 149.9° |
| C16 | C11 | C12 | H7 | 179.3° | 180.0° |
| C11 | C16 | C15 | H10 | 179.8° | 180.0° |
| C11 | C10 | N2 | H5 | 120.7° | 120.0° |
| C11 | C10 | N2 | H6 | 120.7° | 120.0° |
| C11 | C10 | N2 | C9 | 86.9° | 180.0° |
| C11 | C10 | N2 | H4 | 93.1° | 0.0° |
| C11 | C10 | H5 | H6 | 117.8° | 120.0° |
| C10 | C11 | C12 | H7 | 1.6° | 0.3° |
| C10 | C11 | C16 | H17 | 1.7° | 0.0° |
| C10 | N2 | C9 | H4 | 180.0° | 180.0° |
| C10 | N2 | C9 | O2 | 1.1° | 0.0° |
| C10 | N2 | C9 | C8 | 175.1° | 180.0° |
| N2 | C10 | H5 | H6 | 117.8° | 120.0° |
| N2 | C9 | O2 | C8 | 176.1° | 180.0° |
| N2 | C9 | C8 | C6 | 9.0° | 0.0° |
| N2 | C9 | C8 | C7 | 177.5° | 180.0° |
| C9 | N2 | C10 | H5 | 33.8° | 60.0° |
| C9 | N2 | C10 | H6 | 152.4° | 60.0° |
| O2 | C9 | C8 | C6 | 167.3° | 180.0° |
| O2 | C9 | C8 | C7 | 6.2° | 0.0° |
| O2 | C9 | N2 | H4 | 178.8° | 180.0° |
| C9 | C8 | C6 | C7 | 174.5° | 180.0° |
| C9 | C8 | C6 | N1 | 173.7° | 180.0° |
| C9 | C8 | C7 | N | 173.5° | 180.0° |
| C9 | C8 | C7 | N5 | 5.8° | 0.1° |
| C9 | C8 | C6 | H3 | 6.3° | 0.3° |
| C8 | C9 | N2 | H4 | 5.0° | 0.0° |
| C8 | C6 | N1 | H3 | 180.0° | 179.7° |
| C8 | C6 | N1 | N | 0.1° | 0.0° |
| C6 | C8 | C7 | N | 1.4° | 0.0° |
| C6 | C8 | C7 | N5 | 179.3° | 180.0° |
| N1 | C6 | C8 | C7 | 0.8° | 0.0° |
| C6 | N1 | N | C7 | 1.0° | 0.1° |
| C6 | N1 | N | C3 | 172.9° | 180.0° |
| C8 | C7 | N | N1 | 1.5° | 0.0° |
| C8 | C7 | N | N5 | 179.4° | 179.9° |
| C8 | C7 | N | C3 | 171.5° | 180.0° |
| C7 | C8 | C6 | H3 | 179.1° | 179.7° |
| C8 | C7 | N5 | H12 | 180.0° | 179.9° |
| C8 | C7 | N5 | H13 | 60.0° | 0.0° |
| N1 | N | C7 | C3 | 173.0° | 179.9° |
| N1 | N | C7 | N5 | 179.1° | 180.0° |
| N1 | N | C3 | C4 | 65.4° | 35.0° |
| N1 | N | C3 | C2 | 115.8° | 145.0° |
| N | N1 | C6 | H3 | 180.0° | 179.7° |
| C7 | N | C3 | C4 | 107.3° | 145.0° |
| C7 | N | C3 | C2 | 71.5° | 34.9° |
| N | C7 | N5 | H12 | 0.7° | 0.0° |
| N | C7 | N5 | H13 | 119.2° | 180.0° |
| N5 | C7 | N | C3 | 7.9° | 0.1° |
| C7 | N5 | H12 | H13 | 120.0° | 180.0° |
| N | C3 | C4 | C2 | 178.8° | 179.9° |
| N | C3 | C4 | C5 | 178.8° | 180.0° |
| N | C3 | C2 | C1 | 178.4° | 180.0° |
| N | C3 | C4 | H1 | 1.2° | 0.4° |
| N | C3 | C2 | H14 | 1.6° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C4 | C5 | C | 0.3° | 0.3° |
| C3 | C4 | C5 | H2 | 179.6° | 179.7° |
| C4 | C3 | C2 | H14 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.4° | 0.4° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | H15 | 179.6° | 180.0° |
| C4 | C5 | C | H2 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 0.3° | 0.6° |
| C4 | C5 | C | H16 | 179.7° | 180.0° |
| C2 | C1 | C | C5 | 0.1° | 0.7° |
| C2 | C1 | C | H15 | 180.0° | 179.6° |
| C2 | C1 | C | H16 | 179.9° | 180.0° |
| C5 | C | C1 | H16 | 180.0° | 179.4° |
| C | C5 | C4 | H1 | 179.7° | 180.0° |
| C5 | C | C1 | H15 | 179.9° | 179.7° |
| C1 | C | C5 | H2 | 179.7° | 179.4° |
| C | C1 | C2 | H14 | 179.6° | 179.7° |
| H1 | C4 | C5 | H2 | 0.4° | 0.1° |
| H2 | C5 | C | H16 | 0.3° | 0.0° |
| H4 | N2 | C10 | H5 | 146.2° | 120.0° |
| H4 | N2 | C10 | H6 | 27.6° | 120.0° |
| H7 | C12 | C13 | H9 | 0.1° | 0.0° |
| H8 | N3 | C18 | H18 | 163.9° | 145.1° |
| H10 | C15 | C16 | H17 | 0.2° | 0.3° |
| H11 | N4 | C20 | H19 | 172.9° | 145.1° |
| H14 | C2 | C1 | H15 | 0.4° | 0.1° |
| H15 | C1 | C | H16 | 0.1° | 0.4° |
| H18 | C18 | C25 | H30 | 103.2° | 175.0° |
| H18 | C18 | C25 | H31 | 140.4° | 65.0° |
| H19 | C20 | C23 | H20 | 159.6° | 175.1° |
| H19 | C20 | C23 | H21 | 41.3° | 65.0° |
| H19 | C20 | C21 | H25 | 171.7° | 65.0° |
| H19 | C20 | C21 | H26 | 69.3° | 175.0° |
| H20 | C23 | C24 | H22 | 59.2° | 60.1° |
| H20 | C23 | C24 | H23 | 179.2° | 59.9° |
| H20 | C23 | C24 | H24 | 60.8° | 180.0° |
| H21 | C23 | C24 | H22 | 59.1° | 180.0° |
| H21 | C23 | C24 | H23 | 60.9° | 60.0° |
| H21 | C23 | C24 | H24 | 179.1° | 60.0° |
| H22 | C24 | H23 | H24 | 120.0° | 120.0° |
| H25 | C21 | C22 | H27 | 59.5° | 180.0° |
| H25 | C21 | C22 | H28 | 60.5° | 60.1° |
| H25 | C21 | C22 | H29 | 179.5° | 60.0° |
| H26 | C21 | C22 | H27 | 59.5° | 60.0° |
| H26 | C21 | C22 | H28 | 179.5° | 180.0° |
| H26 | C21 | C22 | H29 | 60.5° | 59.9° |
| H27 | C22 | H28 | H29 | 120.0° | 120.0° |
| H30 | C25 | C26 | H32 | 153.4° | 180.0° |
| H30 | C25 | C26 | H33 | 35.6° | 60.1° |
| H31 | C25 | C26 | H32 | 37.1° | 60.1° |
| H31 | C25 | C26 | H33 | 80.7° | 180.0° |
| H32 | C26 | C27 | H34 | 110.5° | 65.1° |
| H33 | C26 | C27 | H34 | 131.7° | 175.0° |
| H34 | C27 | C32 | H35 | 50.1° | 180.0° |
| H34 | C27 | C32 | H36 | 169.0° | 60.0° |
| H34 | C27 | C28 | H43 | 50.2° | 60.0° |
| H34 | C27 | C28 | H44 | 168.9° | 180.0° |
| H35 | C32 | C31 | H37 | 64.4° | 60.0° |
| H35 | C32 | C31 | H38 | 55.1° | 180.0° |
| H36 | C32 | C31 | H37 | 54.4° | 60.0° |
| H36 | C32 | C31 | H38 | 173.9° | 60.0° |
| H37 | C31 | C30 | H39 | 58.2° | 60.0° |
| H37 | C31 | C30 | H40 | 61.5° | 60.1° |
| H38 | C31 | C30 | H39 | 177.7° | 180.0° |
| H38 | C31 | C30 | H40 | 58.0° | 60.0° |
| H39 | C30 | C29 | H41 | 57.5° | 60.0° |
| H39 | C30 | C29 | H42 | 177.1° | 180.0° |
| H40 | C30 | C29 | H41 | 62.2° | 60.0° |
| H40 | C30 | C29 | H42 | 57.4° | 60.0° |
| H41 | C29 | C28 | H43 | 64.9° | 59.9° |
| H41 | C29 | C28 | H44 | 53.7° | 60.0° |
| H42 | C29 | C28 | H43 | 54.6° | 60.1° |
| H42 | C29 | C28 | H44 | 173.3° | 180.0° |
