0UV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C15 | C2 | sing | 1.51Å | 1.54Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C26 | N4 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C21 | C16 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N4 | C30 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.51Å | 1.54Å | |
| C16 | N1 | sing | 1.46Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.39Å | 1.34Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.36Å | 1.33Å | |
| O2 | C22 | doub | 1.21Å | 1.23Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C22 | N5 | sing | 1.35Å | 1.34Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.39Å | 1.35Å | |
| O3 | C31 | sing | 1.43Å | 1.44Å | |
| C7 | N2 | sing | 1.36Å | 1.33Å | |
| C7 | N3 | doub | 1.33Å | 1.33Å | |
| N5 | C23 | sing | 1.47Å | 1.48Å | |
| N3 | C8 | sing | 1.34Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C8 | O1 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.48Å | 1.52Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C9 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| C1 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C10 | H42 | sing | 1.08Å | 1.08Å | |
| C11 | H43 | sing | 1.08Å | 1.08Å | |
| C13 | H44 | sing | 1.08Å | 1.08Å | |
| C14 | H45 | sing | 1.08Å | 1.08Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 114.1° | 109.5° |
| C20 | C21 | C16 | 111.3° | 109.5° |
| C21 | C20 | H10 | 108.3° | 109.5° |
| C21 | C20 | H11 | 108.3° | 109.5° |
| C20 | C21 | H12 | 109.0° | 109.5° |
| C20 | C21 | H13 | 109.0° | 109.5° |
| C20 | C19 | C18 | 112.5° | 109.5° |
| C20 | C19 | C22 | 111.1° | 109.5° |
| C20 | C19 | H9 | 107.8° | 109.5° |
| C19 | C20 | H10 | 108.3° | 109.5° |
| C19 | C20 | H11 | 108.3° | 109.5° |
| C2 | C15 | N4 | 111.5° | 109.5° |
| C15 | C2 | C3 | 120.7° | 119.9° |
| C15 | C2 | C1 | 119.9° | 119.8° |
| C2 | C15 | H20 | 109.0° | 109.5° |
| C2 | C15 | H21 | 108.9° | 109.5° |
| C15 | N4 | C26 | 108.7° | 111.0° |
| C15 | N4 | C30 | 111.0° | 111.0° |
| N4 | C15 | H20 | 108.9° | 109.5° |
| N4 | C15 | H21 | 109.0° | 109.5° |
| N4 | C26 | C27 | 111.3° | 109.5° |
| C26 | N4 | C30 | 110.0° | 111.2° |
| N4 | C26 | H27 | 109.0° | 109.5° |
| N4 | C26 | H28 | 109.0° | 109.5° |
| C26 | C27 | C28 | 110.9° | 109.3° |
| C27 | C26 | H27 | 109.0° | 109.5° |
| C27 | C26 | H28 | 109.0° | 109.5° |
| C26 | C27 | H29 | 109.1° | 109.5° |
| C26 | C27 | H30 | 109.1° | 109.5° |
| C21 | C16 | N1 | 112.3° | 109.4° |
| C21 | C16 | C17 | 107.3° | 109.5° |
| C16 | C21 | H12 | 109.0° | 109.4° |
| C16 | C21 | H13 | 109.0° | 109.5° |
| C21 | C16 | H18 | 109.3° | 109.5° |
| C3 | C2 | C1 | 119.5° | 120.3° |
| C2 | C3 | C4 | 120.3° | 119.9° |
| C2 | C3 | H19 | 119.8° | 120.1° |
| C2 | C1 | C6 | 119.9° | 120.2° |
| C2 | C1 | H39 | 120.0° | 119.9° |
| C3 | C4 | N1 | 133.5° | 133.0° |
| C3 | C4 | C5 | 120.1° | 119.8° |
| C4 | C3 | H19 | 119.8° | 120.0° |
| N4 | C30 | C29 | 110.1° | 109.5° |
| N4 | C30 | H23 | 109.3° | 109.5° |
| N4 | C30 | H24 | 109.3° | 109.5° |
| C27 | C28 | C29 | 109.1° | 109.1° |
| C27 | C28 | C31 | 111.3° | 109.5° |
| C28 | C27 | H29 | 109.1° | 109.5° |
| C28 | C27 | H30 | 109.1° | 109.5° |
| C27 | C28 | H31 | 108.0° | 109.5° |
| C18 | C19 | C22 | 109.6° | 109.5° |
| C19 | C18 | C17 | 112.5° | 109.5° |
| C18 | C19 | H9 | 107.9° | 109.5° |
| C19 | C18 | H14 | 108.7° | 109.5° |
| C19 | C18 | H15 | 108.7° | 109.4° |
| C19 | C22 | O2 | 120.6° | 120.0° |
| C19 | C22 | N5 | 115.5° | 120.0° |
| C22 | C19 | H9 | 107.8° | 109.5° |
| N1 | C16 | C17 | 109.2° | 109.5° |
| C16 | N1 | C4 | 125.3° | 125.9° |
| C16 | N1 | C7 | 126.2° | 125.9° |
| N1 | C16 | H18 | 109.7° | 109.5° |
| C16 | C17 | C18 | 110.6° | 109.4° |
| C16 | C17 | H16 | 109.2° | 109.4° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C17 | C16 | H18 | 109.1° | 109.5° |
| C1 | C6 | C5 | 120.8° | 119.9° |
| C6 | C1 | H39 | 120.0° | 119.9° |
| C1 | C6 | H40 | 119.6° | 120.0° |
| N1 | C4 | C5 | 106.4° | 107.2° |
| C4 | N1 | C7 | 108.5° | 108.2° |
| C4 | C5 | C6 | 119.4° | 119.8° |
| C4 | C5 | N2 | 108.1° | 107.2° |
| N1 | C7 | N2 | 109.9° | 109.2° |
| N1 | C7 | N3 | 125.4° | 125.4° |
| O2 | C22 | N5 | 123.8° | 120.0° |
| C17 | C18 | H14 | 108.7° | 109.5° |
| C17 | C18 | H15 | 108.7° | 109.5° |
| C18 | C17 | H16 | 109.2° | 109.5° |
| C18 | C17 | H17 | 109.2° | 109.5° |
| C30 | C29 | C28 | 110.2° | 109.3° |
| C29 | C30 | H23 | 109.3° | 109.5° |
| C29 | C30 | H24 | 109.3° | 109.4° |
| C30 | C29 | H25 | 109.3° | 109.6° |
| C30 | C29 | H26 | 109.3° | 109.6° |
| C22 | N5 | C23 | 122.2° | 120.0° |
| C22 | N5 | H8 | 118.9° | 120.0° |
| C29 | C28 | C31 | 112.3° | 109.5° |
| C28 | C29 | H25 | 109.3° | 109.5° |
| C28 | C29 | H26 | 109.3° | 109.5° |
| C29 | C28 | H31 | 108.0° | 109.5° |
| C28 | C31 | O3 | 107.3° | 109.5° |
| C28 | C31 | C32 | 110.1° | 109.5° |
| C28 | C31 | C33 | 109.9° | 109.5° |
| C31 | C28 | H31 | 108.0° | 109.6° |
| C6 | C5 | N2 | 132.5° | 133.0° |
| C5 | C6 | H40 | 119.6° | 120.1° |
| C5 | N2 | C7 | 107.1° | 108.3° |
| C5 | N2 | H22 | 126.4° | 125.8° |
| O3 | C31 | C32 | 110.4° | 109.5° |
| O3 | C31 | C33 | 109.4° | 109.5° |
| C31 | O3 | H38 | 109.5° | 114.0° |
| N2 | C7 | N3 | 124.6° | 125.4° |
| C7 | N2 | H22 | 126.5° | 125.9° |
| C7 | N3 | C8 | 118.9° | 120.0° |
| N5 | C23 | C24 | 109.1° | 109.5° |
| N5 | C23 | C25 | 109.9° | 109.5° |
| N5 | C23 | H4 | 109.4° | 109.5° |
| C23 | N5 | H8 | 118.9° | 120.0° |
| N3 | C8 | O1 | 124.5° | 120.0° |
| N3 | C8 | C9 | 115.0° | 120.0° |
| C32 | C31 | C33 | 109.7° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.4° |
| C31 | C32 | H33 | 109.4° | 109.5° |
| C31 | C32 | H34 | 109.5° | 109.5° |
| C31 | C33 | H35 | 109.5° | 109.4° |
| C31 | C33 | H36 | 109.5° | 109.4° |
| C31 | C33 | H37 | 109.5° | 109.5° |
| C24 | C23 | C25 | 110.8° | 109.5° |
| C23 | C24 | H1 | 109.5° | 109.4° |
| C23 | C24 | H2 | 109.4° | 109.5° |
| C23 | C24 | H3 | 109.5° | 109.4° |
| C24 | C23 | H4 | 108.8° | 109.5° |
| O1 | C8 | C9 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.6° | 120.1° |
| C8 | C9 | C14 | 119.0° | 120.1° |
| C9 | C10 | C11 | 119.5° | 119.9° |
| C10 | C9 | C14 | 120.3° | 119.8° |
| C9 | C10 | H42 | 120.2° | 120.1° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | H42 | 120.3° | 120.1° |
| C10 | C11 | H43 | 120.0° | 119.9° |
| C25 | C23 | H4 | 108.9° | 109.5° |
| C23 | C25 | H5 | 109.5° | 109.5° |
| C23 | C25 | H6 | 109.4° | 109.5° |
| C23 | C25 | H7 | 109.4° | 109.5° |
| C9 | C14 | C13 | 120.0° | 119.9° |
| C9 | C14 | H45 | 120.0° | 120.1° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C11 | C12 | F1 | 120.3° | 119.9° |
| C12 | C11 | H43 | 120.0° | 119.9° |
| C14 | C13 | C12 | 119.8° | 120.1° |
| C14 | C13 | H44 | 120.1° | 119.9° |
| C13 | C14 | H45 | 120.0° | 120.1° |
| C13 | C12 | F1 | 119.2° | 119.9° |
| C12 | C13 | H44 | 120.1° | 120.0° |
| H1 | C24 | H2 | 109.5° | 109.5° |
| H1 | C24 | H3 | 109.5° | 109.4° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.5° |
| H5 | C25 | H7 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.4° | 109.4° |
| H12 | C21 | H13 | 109.4° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H32 | C32 | H34 | 109.4° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H35 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H10 | 120.7° | 120.0° |
| C21 | C20 | C19 | H11 | 120.7° | 120.0° |
| C20 | C21 | C16 | H12 | 120.3° | 120.0° |
| C20 | C21 | C16 | H13 | 120.3° | 120.1° |
| C21 | C20 | C19 | C18 | 43.6° | 60.0° |
| C21 | C20 | C19 | C22 | 79.7° | 180.0° |
| C20 | C21 | C16 | N1 | 179.1° | 60.0° |
| C20 | C21 | C16 | C17 | 61.0° | 60.0° |
| C21 | C20 | C19 | H9 | 162.4° | 60.0° |
| C21 | C20 | H10 | H11 | 117.9° | 120.0° |
| C20 | C21 | H12 | H13 | 119.1° | 120.0° |
| C20 | C21 | C16 | H18 | 57.1° | 180.0° |
| C19 | C20 | C21 | C16 | 52.0° | 60.0° |
| C20 | C19 | C18 | C22 | 124.1° | 120.0° |
| C20 | C19 | C18 | H9 | 118.7° | 120.0° |
| C20 | C19 | C22 | H9 | 117.9° | 120.0° |
| C20 | C19 | C22 | O2 | 3.2° | 125.1° |
| C20 | C19 | C18 | C17 | 46.1° | 60.0° |
| C20 | C19 | C22 | N5 | 178.2° | 54.9° |
| C19 | C20 | H10 | H11 | 117.9° | 120.0° |
| C19 | C20 | C21 | H12 | 172.3° | 60.0° |
| C19 | C20 | C21 | H13 | 68.3° | 180.0° |
| C20 | C19 | C18 | H14 | 166.6° | 60.0° |
| C20 | C19 | C18 | H15 | 74.3° | 180.0° |
| C2 | C15 | N4 | H20 | 120.3° | 120.0° |
| C2 | C15 | N4 | H21 | 120.3° | 120.0° |
| C2 | C15 | N4 | C26 | 178.3° | 65.8° |
| C15 | C2 | C3 | C1 | 179.5° | 180.0° |
| C15 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C15 | N4 | C30 | 57.2° | 170.0° |
| C15 | C2 | C1 | C6 | 179.6° | 180.0° |
| C15 | C2 | C3 | H19 | 0.2° | 0.1° |
| C2 | C15 | H20 | H21 | 119.1° | 120.0° |
| C15 | C2 | C1 | H39 | 0.4° | 0.0° |
| C15 | N4 | C26 | C30 | 121.7° | 124.1° |
| C15 | N4 | C26 | C27 | 179.2° | 174.1° |
| N4 | C15 | C2 | C3 | 100.9° | 90.0° |
| N4 | C15 | C2 | C1 | 79.6° | 90.0° |
| C15 | N4 | C30 | C29 | 178.6° | 174.1° |
| N4 | C15 | H20 | H21 | 119.1° | 120.0° |
| C15 | N4 | C30 | H23 | 61.3° | 65.8° |
| C15 | N4 | C30 | H24 | 58.6° | 54.2° |
| C15 | N4 | C26 | H27 | 58.9° | 54.1° |
| C15 | N4 | C26 | H28 | 60.6° | 65.9° |
| N4 | C26 | C27 | H27 | 120.2° | 120.0° |
| N4 | C26 | C27 | H28 | 120.3° | 120.0° |
| N4 | C26 | C27 | C28 | 56.3° | 59.2° |
| C26 | N4 | C30 | C29 | 61.0° | 61.8° |
| C26 | N4 | C15 | H20 | 61.4° | 54.2° |
| C26 | N4 | C15 | H21 | 58.1° | 174.2° |
| C26 | N4 | C30 | H23 | 59.1° | 58.2° |
| C26 | N4 | C30 | H24 | 178.9° | 178.2° |
| N4 | C26 | H27 | H28 | 119.2° | 120.0° |
| N4 | C26 | C27 | H29 | 63.9° | 60.8° |
| N4 | C26 | C27 | H30 | 176.6° | 179.1° |
| C27 | C26 | N4 | C30 | 59.1° | 61.8° |
| C26 | C27 | C28 | H29 | 120.2° | 120.0° |
| C26 | C27 | C28 | H30 | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 54.5° | 57.7° |
| C26 | C27 | C28 | C31 | 178.9° | 177.6° |
| C27 | C26 | H27 | H28 | 119.2° | 120.0° |
| C26 | C27 | H29 | H30 | 119.3° | 120.1° |
| C26 | C27 | C28 | H31 | 62.7° | 62.2° |
| C21 | C16 | N1 | C17 | 118.8° | 120.0° |
| C21 | C16 | N1 | H18 | 121.7° | 120.0° |
| C21 | C16 | C17 | H18 | 118.2° | 120.0° |
| C21 | C16 | N1 | C4 | 131.0° | 119.7° |
| C21 | C16 | N1 | C7 | 49.5° | 60.0° |
| C21 | C16 | C17 | C18 | 64.2° | 60.0° |
| C16 | C21 | C20 | H10 | 172.7° | 180.0° |
| C16 | C21 | C20 | H11 | 68.7° | 60.0° |
| C16 | C21 | H12 | H13 | 119.2° | 120.0° |
| C21 | C16 | C17 | H16 | 175.7° | 180.0° |
| C21 | C16 | C17 | H17 | 56.0° | 60.0° |
| C2 | C3 | C4 | H19 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | N1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C15 | H20 | 19.4° | 150.0° |
| C3 | C2 | C15 | H21 | 138.8° | 30.0° |
| C3 | C2 | C1 | H39 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | H39 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C1 | C2 | C3 | H19 | 179.7° | 180.0° |
| C1 | C2 | C15 | H20 | 160.1° | 30.0° |
| C1 | C2 | C15 | H21 | 40.7° | 150.0° |
| C2 | C1 | C6 | H40 | 179.7° | 179.9° |
| C3 | C4 | N1 | C16 | 0.9° | 0.0° |
| C3 | C4 | N1 | C5 | 179.9° | 180.0° |
| C3 | C4 | N1 | C7 | 179.5° | 179.8° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | N2 | 180.0° | 180.0° |
| N4 | C30 | C29 | H23 | 120.1° | 120.0° |
| N4 | C30 | C29 | H24 | 120.1° | 120.0° |
| N4 | C30 | C29 | C28 | 60.4° | 59.2° |
| C30 | N4 | C15 | H20 | 177.5° | 70.0° |
| C30 | N4 | C15 | H21 | 63.1° | 50.0° |
| N4 | C30 | H23 | H24 | 119.7° | 120.0° |
| N4 | C30 | C29 | H25 | 179.6° | 179.1° |
| N4 | C30 | C29 | H26 | 59.7° | 60.8° |
| C30 | N4 | C26 | H27 | 179.4° | 178.2° |
| C30 | N4 | C26 | H28 | 61.2° | 58.2° |
| C27 | C28 | C29 | C30 | 56.5° | 57.7° |
| C27 | C28 | C29 | C31 | 123.9° | 119.9° |
| C27 | C28 | C29 | H31 | 117.2° | 119.9° |
| C27 | C28 | C31 | H31 | 118.4° | 120.2° |
| C27 | C28 | C31 | O3 | 61.8° | 65.0° |
| C27 | C28 | C31 | C32 | 58.3° | 175.0° |
| C27 | C28 | C31 | C33 | 179.3° | 55.0° |
| C27 | C28 | C29 | H25 | 176.6° | 177.6° |
| C27 | C28 | C29 | H26 | 63.6° | 62.3° |
| C28 | C27 | C26 | H27 | 176.6° | 179.2° |
| C28 | C27 | C26 | H28 | 63.9° | 60.8° |
| C28 | C27 | H29 | H30 | 119.3° | 120.1° |
| C18 | C19 | C22 | H9 | 117.2° | 120.0° |
| C19 | C18 | C17 | C16 | 57.7° | 60.0° |
| C18 | C19 | C22 | O2 | 128.1° | 5.1° |
| C19 | C18 | C17 | H14 | 120.5° | 120.0° |
| C19 | C18 | C17 | H15 | 120.4° | 120.0° |
| C18 | C19 | C22 | N5 | 53.2° | 174.9° |
| C18 | C19 | C20 | H10 | 164.3° | 180.0° |
| C18 | C19 | C20 | H11 | 77.1° | 60.0° |
| C19 | C18 | H14 | H15 | 118.6° | 120.0° |
| C19 | C18 | C17 | H16 | 177.8° | 180.0° |
| C19 | C18 | C17 | H17 | 62.5° | 60.0° |
| C19 | C22 | O2 | N5 | 178.6° | 180.0° |
| C22 | C19 | C18 | C17 | 78.0° | 180.0° |
| C19 | C22 | N5 | C23 | 179.5° | 175.0° |
| C19 | C22 | N5 | H8 | 0.5° | 5.0° |
| C22 | C19 | C20 | H10 | 41.0° | 60.0° |
| C22 | C19 | C20 | H11 | 159.6° | 60.0° |
| C22 | C19 | C18 | H14 | 42.4° | 60.0° |
| C22 | C19 | C18 | H15 | 161.5° | 60.0° |
| N1 | C16 | C17 | H18 | 119.9° | 120.0° |
| C16 | N1 | C4 | C7 | 179.6° | 179.8° |
| C16 | N1 | C4 | C5 | 179.1° | 180.0° |
| N1 | C16 | C17 | C18 | 173.9° | 60.0° |
| C16 | N1 | C7 | N2 | 178.8° | 179.8° |
| C16 | N1 | C7 | N3 | 1.6° | 0.0° |
| N1 | C16 | C21 | H12 | 58.8° | 180.0° |
| N1 | C16 | C21 | H13 | 60.7° | 60.0° |
| N1 | C16 | C17 | H16 | 53.7° | 60.0° |
| N1 | C16 | C17 | H17 | 65.9° | 180.0° |
| C17 | C16 | N1 | C4 | 110.2° | 120.3° |
| C17 | C16 | N1 | C7 | 69.4° | 60.0° |
| C16 | C17 | C18 | H16 | 120.2° | 120.0° |
| C16 | C17 | C18 | H17 | 120.2° | 120.0° |
| C17 | C16 | C21 | H12 | 178.7° | 60.0° |
| C17 | C16 | C21 | H13 | 59.3° | 180.0° |
| C16 | C17 | C18 | H14 | 178.1° | 60.0° |
| C16 | C17 | C18 | H15 | 62.8° | 180.0° |
| C16 | C17 | H16 | H17 | 119.5° | 120.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H40 | 180.0° | 180.0° |
| C1 | C6 | C5 | N2 | 179.9° | 180.0° |
| N1 | C4 | C5 | C6 | 179.6° | 180.0° |
| N1 | C4 | C5 | N2 | 0.1° | 0.0° |
| C4 | N1 | C7 | N2 | 0.8° | 0.4° |
| C4 | N1 | C7 | N3 | 178.0° | 179.7° |
| C4 | N1 | C16 | H18 | 9.3° | 0.3° |
| N1 | C4 | C3 | H19 | 0.0° | 0.0° |
| C5 | C4 | N1 | C7 | 0.4° | 0.2° |
| C4 | C5 | C6 | N2 | 179.6° | 180.0° |
| C4 | C5 | N2 | C7 | 0.6° | 0.2° |
| C5 | C4 | C3 | H19 | 179.9° | 180.0° |
| C4 | C5 | C6 | H40 | 179.5° | 180.0° |
| C4 | C5 | N2 | H22 | 179.5° | 180.0° |
| N1 | C7 | N2 | C5 | 0.9° | 0.4° |
| N1 | C7 | N2 | N3 | 177.2° | 179.9° |
| N1 | C7 | N3 | C8 | 173.6° | 174.8° |
| C7 | N1 | C16 | H18 | 171.2° | 180.0° |
| N1 | C7 | N2 | H22 | 179.2° | 179.9° |
| O2 | C22 | N5 | C23 | 0.9° | 5.0° |
| O2 | C22 | N5 | H8 | 179.1° | 175.0° |
| O2 | C22 | C19 | H9 | 114.7° | 114.9° |
| C17 | C18 | C19 | H9 | 164.8° | 60.0° |
| C17 | C18 | H14 | H15 | 118.7° | 120.0° |
| C18 | C17 | H16 | H17 | 119.5° | 120.0° |
| C18 | C17 | C16 | H18 | 54.0° | 180.0° |
| C30 | C29 | C28 | H25 | 120.1° | 120.0° |
| C30 | C29 | C28 | H26 | 120.1° | 120.0° |
| C30 | C29 | C28 | C31 | 179.6° | 177.6° |
| C29 | C30 | H23 | H24 | 119.7° | 119.9° |
| C30 | C29 | H25 | H26 | 119.7° | 120.1° |
| C30 | C29 | C28 | H31 | 60.7° | 62.2° |
| C22 | N5 | C23 | H8 | 180.0° | 180.0° |
| C22 | N5 | C23 | C24 | 113.9° | 159.8° |
| C22 | N5 | C23 | C25 | 124.5° | 80.2° |
| C22 | N5 | C23 | H4 | 5.0° | 39.8° |
| N5 | C22 | C19 | H9 | 64.0° | 65.1° |
| C29 | C28 | C31 | H31 | 119.0° | 120.2° |
| C29 | C28 | C31 | O3 | 175.5° | 175.3° |
| C29 | C28 | C31 | C32 | 64.3° | 55.3° |
| C29 | C28 | C31 | C33 | 56.7° | 64.7° |
| C28 | C29 | C30 | H23 | 59.7° | 60.8° |
| C28 | C29 | C30 | H24 | 179.6° | 179.2° |
| C28 | C29 | H25 | H26 | 119.7° | 120.0° |
| C29 | C28 | C27 | H29 | 65.7° | 62.3° |
| C29 | C28 | C27 | H30 | 174.7° | 177.6° |
| C28 | C31 | O3 | C32 | 120.0° | 120.0° |
| C28 | C31 | O3 | C33 | 119.2° | 120.0° |
| C28 | C31 | C32 | C33 | 121.1° | 120.0° |
| C31 | C28 | C29 | H25 | 59.5° | 62.5° |
| C31 | C28 | C29 | H26 | 60.3° | 57.6° |
| C31 | C28 | C27 | H29 | 58.7° | 57.5° |
| C31 | C28 | C27 | H30 | 60.8° | 62.5° |
| C28 | C31 | C32 | H32 | 180.0° | 60.0° |
| C28 | C31 | C32 | H33 | 60.0° | 180.0° |
| C28 | C31 | C32 | H34 | 60.0° | 60.0° |
| C28 | C31 | C33 | H35 | 180.0° | 60.0° |
| C28 | C31 | C33 | H36 | 60.0° | 180.0° |
| C28 | C31 | C33 | H37 | 60.0° | 60.0° |
| C28 | C31 | O3 | H38 | 180.0° | 60.0° |
| C6 | C5 | N2 | C7 | 179.1° | 179.8° |
| C5 | C6 | C1 | H39 | 179.7° | 180.0° |
| C6 | C5 | N2 | H22 | 0.9° | 0.0° |
| C5 | N2 | C7 | H22 | 180.0° | 179.7° |
| C5 | N2 | C7 | N3 | 178.1° | 179.7° |
| N2 | C5 | C6 | H40 | 0.1° | 0.0° |
| O3 | C31 | C32 | C33 | 120.6° | 120.0° |
| O3 | C31 | C28 | H31 | 56.6° | 55.2° |
| O3 | C31 | C32 | H32 | 61.7° | 180.0° |
| O3 | C31 | C32 | H33 | 178.3° | 60.0° |
| O3 | C31 | C32 | H34 | 58.3° | 60.0° |
| O3 | C31 | C33 | H35 | 62.4° | 60.0° |
| O3 | C31 | C33 | H36 | 57.6° | 60.0° |
| O3 | C31 | C33 | H37 | 177.6° | 180.0° |
| N2 | C7 | N3 | C8 | 3.2° | 5.3° |
| C7 | N3 | C8 | O1 | 4.4° | 99.4° |
| C7 | N3 | C8 | C9 | 174.3° | 80.6° |
| N3 | C7 | N2 | H22 | 2.0° | 0.0° |
| N5 | C23 | C24 | C25 | 121.1° | 120.0° |
| N5 | C23 | C24 | H4 | 119.3° | 120.0° |
| N5 | C23 | C25 | H4 | 119.8° | 120.0° |
| N5 | C23 | C24 | H1 | 180.0° | 180.0° |
| N5 | C23 | C24 | H2 | 60.0° | 60.0° |
| N5 | C23 | C24 | H3 | 60.0° | 60.0° |
| N5 | C23 | C25 | H5 | 180.0° | 65.0° |
| N5 | C23 | C25 | H6 | 60.0° | 55.0° |
| N5 | C23 | C25 | H7 | 60.0° | 175.0° |
| N3 | C8 | O1 | C9 | 178.6° | 180.0° |
| N3 | C8 | C9 | C10 | 5.1° | 5.3° |
| N3 | C8 | C9 | C14 | 172.3° | 175.0° |
| C32 | C31 | C28 | H31 | 176.8° | 64.8° |
| C31 | C32 | H32 | H33 | 120.0° | 120.0° |
| C31 | C32 | H32 | H34 | 120.0° | 120.0° |
| C31 | C32 | H33 | H34 | 120.0° | 120.0° |
| C32 | C31 | C33 | H35 | 58.8° | 180.0° |
| C32 | C31 | C33 | H36 | 178.8° | 60.0° |
| C32 | C31 | C33 | H37 | 61.3° | 60.0° |
| C32 | C31 | O3 | H38 | 59.9° | 180.0° |
| C33 | C31 | C28 | H31 | 62.3° | 175.2° |
| C33 | C31 | C32 | H32 | 58.9° | 60.0° |
| C33 | C31 | C32 | H33 | 61.1° | 60.0° |
| C33 | C31 | C32 | H34 | 178.9° | 180.0° |
| C31 | C33 | H35 | H36 | 120.0° | 120.0° |
| C31 | C33 | H35 | H37 | 120.0° | 120.0° |
| C31 | C33 | H36 | H37 | 120.0° | 120.0° |
| C33 | C31 | O3 | H38 | 60.8° | 60.0° |
| C24 | C23 | C25 | H4 | 119.6° | 120.0° |
| C23 | C24 | H1 | H2 | 120.0° | 120.0° |
| C23 | C24 | H1 | H3 | 120.0° | 119.9° |
| C23 | C24 | H2 | H3 | 120.0° | 120.0° |
| C24 | C23 | C25 | H5 | 59.4° | 55.0° |
| C24 | C23 | C25 | H6 | 60.6° | 175.0° |
| C24 | C23 | C25 | H7 | 179.4° | 65.0° |
| C24 | C23 | N5 | H8 | 66.1° | 20.3° |
| O1 | C8 | C9 | C10 | 176.2° | 174.7° |
| O1 | C8 | C9 | C14 | 6.4° | 5.0° |
| C8 | C9 | C10 | C14 | 177.4° | 179.7° |
| C8 | C9 | C10 | C11 | 178.9° | 179.9° |
| C8 | C9 | C14 | C13 | 179.1° | 179.8° |
| C8 | C9 | C10 | H42 | 1.2° | 0.1° |
| C8 | C9 | C14 | H45 | 0.9° | 0.1° |
| C9 | C10 | C11 | H42 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C9 | C14 | C13 | 1.7° | 0.6° |
| C9 | C10 | C11 | H43 | 179.3° | 179.9° |
| C10 | C9 | C14 | H45 | 178.3° | 179.7° |
| C11 | C10 | C9 | C14 | 1.5° | 0.3° |
| C10 | C11 | C12 | H43 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | F1 | 179.6° | 180.0° |
| C25 | C23 | C24 | H1 | 58.9° | 60.0° |
| C25 | C23 | C24 | H2 | 178.9° | 180.0° |
| C25 | C23 | C24 | H3 | 61.1° | 59.9° |
| C23 | C25 | H5 | H6 | 120.0° | 120.0° |
| C23 | C25 | H5 | H7 | 120.0° | 120.0° |
| C23 | C25 | H6 | H7 | 120.0° | 120.0° |
| C25 | C23 | N5 | H8 | 55.5° | 99.7° |
| C9 | C14 | C13 | H45 | 180.0° | 179.7° |
| C9 | C14 | C13 | C12 | 1.1° | 0.6° |
| C14 | C9 | C10 | H42 | 178.5° | 179.7° |
| C9 | C14 | C13 | H44 | 179.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.3° |
| C11 | C12 | C13 | F1 | 179.7° | 180.0° |
| C12 | C11 | C10 | H42 | 179.3° | 180.0° |
| C11 | C12 | C13 | H44 | 179.7° | 180.0° |
| C14 | C13 | C12 | H44 | 180.0° | 179.7° |
| C14 | C13 | C12 | F1 | 179.4° | 179.7° |
| C13 | C12 | C11 | H43 | 179.9° | 179.9° |
| C12 | C13 | C14 | H45 | 178.9° | 179.7° |
| F1 | C12 | C11 | H43 | 0.4° | 0.0° |
| F1 | C12 | C13 | H44 | 0.6° | 0.0° |
| H1 | C24 | H2 | H3 | 120.0° | 120.0° |
| H1 | C24 | C23 | H4 | 60.8° | 60.0° |
| H2 | C24 | C23 | H4 | 59.2° | 60.0° |
| H3 | C24 | C23 | H4 | 179.3° | 179.9° |
| H4 | C23 | C25 | H5 | 60.2° | 175.0° |
| H4 | C23 | C25 | H6 | 179.8° | 65.0° |
| H4 | C23 | C25 | H7 | 59.8° | 55.0° |
| H4 | C23 | N5 | H8 | 175.0° | 140.3° |
| H5 | C25 | H6 | H7 | 120.0° | 120.0° |
| H9 | C19 | C20 | H10 | 76.9° | 60.0° |
| H9 | C19 | C20 | H11 | 41.7° | 180.0° |
| H9 | C19 | C18 | H14 | 74.7° | 180.0° |
| H9 | C19 | C18 | H15 | 44.4° | 60.0° |
| H10 | C20 | C21 | H12 | 67.0° | 60.0° |
| H10 | C20 | C21 | H13 | 52.4° | 59.9° |
| H11 | C20 | C21 | H12 | 51.6° | 180.0° |
| H11 | C20 | C21 | H13 | 171.0° | 60.0° |
| H12 | C21 | C16 | H18 | 63.2° | 60.0° |
| H13 | C21 | C16 | H18 | 177.4° | 59.9° |
| H14 | C18 | C17 | H16 | 61.7° | 59.9° |
| H14 | C18 | C17 | H17 | 58.0° | 180.0° |
| H15 | C18 | C17 | H16 | 57.4° | 60.1° |
| H15 | C18 | C17 | H17 | 177.1° | 60.0° |
| H16 | C17 | C16 | H18 | 66.1° | 60.1° |
| H17 | C17 | C16 | H18 | 174.2° | 60.0° |
| H23 | C30 | C29 | H25 | 60.4° | 59.1° |
| H23 | C30 | C29 | H26 | 179.8° | 179.2° |
| H24 | C30 | C29 | H25 | 59.5° | 60.9° |
| H24 | C30 | C29 | H26 | 60.3° | 59.2° |
| H25 | C29 | C28 | H31 | 59.4° | 57.7° |
| H26 | C29 | C28 | H31 | 179.3° | 177.8° |
| H27 | C26 | C27 | H29 | 56.4° | 59.2° |
| H27 | C26 | C27 | H30 | 63.2° | 60.8° |
| H28 | C26 | C27 | H29 | 175.9° | 179.2° |
| H28 | C26 | C27 | H30 | 56.3° | 59.1° |
| H29 | C27 | C28 | H31 | 177.1° | 177.8° |
| H30 | C27 | C28 | H31 | 57.5° | 57.7° |
| H32 | C32 | H33 | H34 | 120.0° | 120.1° |
| H35 | C33 | H36 | H37 | 120.0° | 120.0° |
| H39 | C1 | C6 | H40 | 0.3° | 0.0° |
| H42 | C10 | C11 | H43 | 0.7° | 0.1° |
| H44 | C13 | C14 | H45 | 1.0° | 0.0° |
