O8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C27 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| CL | C26 | sing | 1.74Å | 1.75Å | |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.45Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C20 | sing | 1.46Å | 1.46Å | |
| N4 | C19 | sing | 1.35Å | 1.32Å | |
| C19 | O | doub | 1.21Å | 1.23Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C28 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| O1 | C17 | doub | 1.22Å | 1.22Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| C17 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C3 | N | sing | 1.40Å | 1.43Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| N | C7 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C6 | doub | 1.30Å | 1.33Å | Aromatic |
| C7 | N5 | sing | 1.38Å | 1.32Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.42Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| O2 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| 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 | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C23 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 111.8° | 109.5° |
| C32 | C33 | C34 | 110.4° | 109.5° |
| C32 | C33 | H28 | 109.2° | 109.5° |
| C32 | C33 | H29 | 109.2° | 109.4° |
| C33 | C32 | H30 | 108.9° | 109.4° |
| C33 | C32 | H31 | 108.9° | 109.5° |
| C32 | C31 | C30 | 114.6° | 109.5° |
| C31 | C32 | H30 | 108.9° | 109.5° |
| C31 | C32 | H31 | 108.9° | 109.5° |
| C32 | C31 | H32 | 108.2° | 109.5° |
| C32 | C31 | H33 | 108.2° | 109.5° |
| C33 | C34 | C35 | 111.0° | 109.5° |
| C33 | C34 | H26 | 109.1° | 109.4° |
| C33 | C34 | H27 | 109.1° | 109.5° |
| C34 | C33 | H28 | 109.2° | 109.5° |
| C34 | C33 | H29 | 109.3° | 109.5° |
| C31 | C30 | C35 | 110.2° | 109.5° |
| C31 | C30 | C29 | 109.3° | 109.4° |
| C31 | C30 | H23 | 107.9° | 109.4° |
| C30 | C31 | H32 | 108.2° | 109.5° |
| C30 | C31 | H33 | 108.2° | 109.4° |
| C34 | C35 | C30 | 111.8° | 109.5° |
| C34 | C35 | H24 | 108.9° | 109.5° |
| C34 | C35 | H25 | 108.9° | 109.5° |
| C35 | C34 | H26 | 109.1° | 109.5° |
| C35 | C34 | H27 | 109.1° | 109.5° |
| C23 | C27 | C26 | 119.2° | 120.0° |
| C27 | C23 | C22 | 121.2° | 120.0° |
| C23 | C27 | H40 | 120.4° | 120.0° |
| C27 | C23 | H41 | 119.4° | 120.0° |
| C27 | C26 | CL | 119.2° | 120.0° |
| C27 | C26 | C25 | 121.3° | 119.9° |
| C26 | C27 | H40 | 120.4° | 119.9° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C23 | C22 | C24 | 118.5° | 120.0° |
| C22 | C23 | H41 | 119.4° | 120.0° |
| C35 | C30 | C29 | 113.5° | 109.5° |
| C35 | C30 | H23 | 107.9° | 109.5° |
| C30 | C35 | H24 | 108.9° | 109.4° |
| C30 | C35 | H25 | 108.9° | 109.4° |
| C30 | C29 | C28 | 116.7° | 109.5° |
| C30 | C29 | H21 | 107.6° | 109.4° |
| C30 | C29 | H22 | 107.7° | 109.4° |
| C29 | C30 | H23 | 107.9° | 109.5° |
| CL | C26 | C25 | 119.5° | 120.0° |
| C26 | C25 | C24 | 119.0° | 120.0° |
| C26 | C25 | H39 | 120.5° | 120.0° |
| C21 | C22 | C24 | 122.2° | 120.0° |
| C22 | C21 | C20 | 118.3° | 109.5° |
| C22 | C21 | H36 | 107.2° | 109.5° |
| C22 | C21 | H37 | 107.2° | 109.5° |
| C22 | C24 | C25 | 120.8° | 120.0° |
| C22 | C24 | H38 | 119.6° | 120.0° |
| C21 | C20 | N4 | 111.1° | 109.5° |
| C21 | C20 | H34 | 109.1° | 109.5° |
| C21 | C20 | H35 | 109.1° | 109.5° |
| C20 | C21 | H36 | 107.2° | 109.5° |
| C20 | C21 | H37 | 107.2° | 109.5° |
| C29 | C28 | C18 | 118.1° | 109.5° |
| C29 | C28 | H19 | 107.2° | 109.4° |
| C29 | C28 | H20 | 107.2° | 109.5° |
| C28 | C29 | H21 | 107.6° | 109.5° |
| C28 | C29 | H22 | 107.6° | 109.5° |
| C25 | C24 | H38 | 119.6° | 120.0° |
| C24 | C25 | H39 | 120.5° | 120.0° |
| C20 | N4 | C19 | 124.3° | 120.0° |
| C20 | N4 | H11 | 117.8° | 120.0° |
| N4 | C20 | H34 | 109.0° | 109.4° |
| N4 | C20 | H35 | 109.1° | 109.5° |
| N4 | C19 | O | 123.7° | 120.0° |
| N4 | C19 | C18 | 115.5° | 120.0° |
| C19 | N4 | H11 | 117.8° | 120.0° |
| O | C19 | C18 | 120.8° | 120.0° |
| C19 | C18 | C28 | 113.7° | 109.4° |
| C19 | C18 | N3 | 107.8° | 109.5° |
| C19 | C18 | H18 | 108.2° | 109.5° |
| C28 | C18 | N3 | 109.9° | 109.5° |
| C28 | C18 | H18 | 108.1° | 109.5° |
| C18 | C28 | H19 | 107.3° | 109.5° |
| C18 | C28 | H20 | 107.3° | 109.5° |
| C18 | N3 | C17 | 120.7° | 120.0° |
| C18 | N3 | H8 | 119.6° | 120.0° |
| N3 | C18 | H18 | 109.1° | 109.5° |
| O1 | C17 | N3 | 120.6° | 120.0° |
| O1 | C17 | C14 | 120.9° | 120.0° |
| N3 | C17 | C14 | 118.5° | 120.0° |
| C17 | N3 | H8 | 119.6° | 120.0° |
| C17 | C14 | C13 | 119.6° | 120.1° |
| C17 | C14 | C15 | 122.5° | 120.2° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C13 | C14 | C15 | 117.8° | 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 | 119.7° | 120.0° |
| C14 | C15 | C16 | 121.1° | 119.8° |
| C14 | C15 | H10 | 119.4° | 120.1° |
| C12 | C11 | C16 | 117.9° | 120.3° |
| C12 | C11 | C10 | 122.5° | 119.8° |
| C11 | C12 | H7 | 119.4° | 120.0° |
| C4 | C5 | C | 120.2° | 120.1° |
| C5 | C4 | C3 | 119.5° | 119.9° |
| C5 | C4 | H1 | 120.2° | 120.1° |
| C4 | C5 | H2 | 119.9° | 120.0° |
| C5 | C | C1 | 119.9° | 120.2° |
| C | C5 | H2 | 119.9° | 120.0° |
| C5 | C | H16 | 120.0° | 119.9° |
| C15 | C16 | C11 | 121.2° | 120.1° |
| C16 | C15 | H10 | 119.4° | 120.1° |
| C15 | C16 | H17 | 119.4° | 119.9° |
| C4 | C3 | N | 120.0° | 120.0° |
| C4 | C3 | C2 | 120.6° | 119.9° |
| C3 | C4 | H1 | 120.2° | 120.1° |
| C | C1 | C2 | 120.3° | 120.0° |
| C | C1 | H15 | 119.8° | 120.0° |
| C1 | C | H16 | 120.0° | 119.9° |
| C16 | C11 | C10 | 119.6° | 119.8° |
| C11 | C16 | H17 | 119.4° | 119.9° |
| C11 | C10 | N2 | 114.4° | 109.5° |
| C11 | C10 | H5 | 108.2° | 109.5° |
| C11 | C10 | H6 | 108.2° | 109.5° |
| N | C3 | C2 | 119.4° | 120.1° |
| C3 | N | N1 | 119.0° | 125.7° |
| C3 | N | C7 | 128.9° | 125.8° |
| C3 | C2 | C1 | 119.4° | 119.9° |
| C3 | C2 | H14 | 120.3° | 120.1° |
| N1 | N | C7 | 112.2° | 108.5° |
| N | N1 | C6 | 104.4° | 109.2° |
| N | C7 | N5 | 124.1° | 126.4° |
| N | C7 | C8 | 106.7° | 107.1° |
| N1 | C6 | C8 | 112.3° | 108.2° |
| N1 | C6 | H3 | 123.9° | 125.9° |
| N5 | C7 | C8 | 129.2° | 126.5° |
| C7 | N5 | H12 | 109.5° | 120.0° |
| C7 | N5 | H13 | 109.5° | 120.0° |
| C7 | C8 | C6 | 104.5° | 107.0° |
| C7 | C8 | C9 | 122.8° | 126.5° |
| C6 | C8 | C9 | 132.8° | 126.5° |
| C8 | C6 | H3 | 123.9° | 125.9° |
| C8 | C9 | O2 | 120.5° | 119.9° |
| C8 | C9 | N2 | 116.5° | 120.0° |
| O2 | C9 | N2 | 122.8° | 120.0° |
| C9 | N2 | C10 | 121.4° | 120.0° |
| C9 | N2 | H4 | 119.3° | 120.0° |
| C1 | C2 | H14 | 120.3° | 120.0° |
| C2 | C1 | H15 | 119.8° | 120.0° |
| C10 | N2 | H4 | 119.3° | 120.0° |
| N2 | C10 | H5 | 108.2° | 109.5° |
| N2 | C10 | H6 | 108.2° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | N5 | H13 | 109.4° | 120.0° |
| H19 | C28 | H20 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.4° |
| H28 | C33 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.4° |
| H34 | C20 | H35 | 109.5° | 109.4° |
| H36 | C21 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H30 | 120.3° | 120.0° |
| C33 | C32 | C31 | H31 | 120.4° | 120.0° |
| C32 | C33 | C34 | H28 | 120.1° | 120.0° |
| C32 | C33 | C34 | H29 | 120.1° | 119.9° |
| C33 | C32 | C31 | C30 | 50.5° | 60.0° |
| C32 | C33 | C34 | C35 | 59.2° | 59.9° |
| C32 | C33 | C34 | H26 | 179.4° | 60.1° |
| C32 | C33 | C34 | H27 | 61.1° | 180.0° |
| C32 | C33 | H28 | H29 | 119.6° | 120.0° |
| C33 | C32 | H30 | H31 | 119.0° | 120.0° |
| C33 | C32 | C31 | H32 | 171.3° | 60.1° |
| C33 | C32 | C31 | H33 | 70.3° | 180.0° |
| C31 | C32 | C33 | C34 | 54.6° | 60.0° |
| C32 | C31 | C30 | H32 | 120.8° | 120.1° |
| C32 | C31 | C30 | H33 | 120.8° | 120.0° |
| C32 | C31 | C30 | C35 | 48.7° | 60.0° |
| C32 | C31 | C30 | C29 | 174.0° | 180.0° |
| C32 | C31 | C30 | H23 | 68.9° | 60.0° |
| C31 | C32 | C33 | H28 | 65.6° | 180.0° |
| C31 | C32 | C33 | H29 | 174.7° | 60.0° |
| C31 | C32 | H30 | H31 | 118.9° | 120.0° |
| C32 | C31 | H32 | H33 | 117.7° | 120.0° |
| C33 | C34 | C35 | H26 | 120.2° | 119.9° |
| C33 | C34 | C35 | H27 | 120.2° | 120.1° |
| C33 | C34 | C35 | C30 | 58.9° | 59.9° |
| C33 | C34 | C35 | H24 | 61.5° | 180.0° |
| C33 | C34 | C35 | H25 | 179.2° | 60.0° |
| C33 | C34 | H26 | H27 | 119.3° | 119.9° |
| C34 | C33 | H28 | H29 | 119.6° | 120.0° |
| C34 | C33 | C32 | H30 | 65.8° | 60.1° |
| C34 | C33 | C32 | H31 | 174.9° | 180.0° |
| C31 | C30 | C35 | C34 | 52.1° | 60.0° |
| C31 | C30 | C35 | C29 | 122.9° | 120.0° |
| C31 | C30 | C35 | H23 | 117.6° | 120.0° |
| C31 | C30 | C29 | H23 | 117.1° | 119.9° |
| C31 | C30 | C29 | C28 | 179.4° | 65.0° |
| C31 | C30 | C29 | H21 | 58.4° | 175.0° |
| C31 | C30 | C29 | H22 | 59.6° | 55.0° |
| C31 | C30 | C35 | H24 | 68.2° | 180.0° |
| C31 | C30 | C35 | H25 | 172.5° | 60.0° |
| C30 | C31 | C32 | H30 | 69.8° | 60.0° |
| C30 | C31 | C32 | H31 | 170.9° | 180.0° |
| C30 | C31 | H32 | H33 | 117.7° | 120.0° |
| C34 | C35 | C30 | H24 | 120.4° | 120.1° |
| C34 | C35 | C30 | H25 | 120.3° | 120.0° |
| C34 | C35 | C30 | C29 | 175.1° | 179.9° |
| C34 | C35 | C30 | H23 | 65.5° | 60.0° |
| C34 | C35 | H24 | H25 | 118.9° | 120.0° |
| C35 | C34 | H26 | H27 | 119.3° | 120.0° |
| C35 | C34 | C33 | H28 | 61.0° | 180.0° |
| C35 | C34 | C33 | H29 | 179.3° | 60.0° |
| C23 | C27 | C26 | H40 | 180.0° | 179.4° |
| C27 | C23 | C22 | H41 | 180.0° | 179.5° |
| C23 | C27 | C26 | CL | 176.8° | 179.7° |
| C23 | C27 | C26 | C25 | 1.1° | 0.3° |
| C27 | C23 | C22 | C21 | 173.3° | 179.7° |
| C27 | C23 | C22 | C24 | 1.5° | 0.5° |
| C26 | C27 | C23 | C22 | 0.7° | 0.5° |
| C27 | C26 | CL | C25 | 177.9° | 180.0° |
| C27 | C26 | C25 | C24 | 1.9° | 0.0° |
| C27 | C26 | C25 | H39 | 178.1° | 180.0° |
| C26 | C27 | C23 | H41 | 179.3° | 180.0° |
| C23 | C22 | C21 | C24 | 174.7° | 179.8° |
| C23 | C22 | C21 | C20 | 176.8° | 90.3° |
| C23 | C22 | C24 | C25 | 0.7° | 0.2° |
| C23 | C22 | C21 | H36 | 55.5° | 149.7° |
| C23 | C22 | C21 | H37 | 62.0° | 29.8° |
| C23 | C22 | C24 | H38 | 179.3° | 179.7° |
| C22 | C23 | C27 | H40 | 179.3° | 180.0° |
| C35 | C30 | C29 | H23 | 119.5° | 120.0° |
| C35 | C30 | C29 | C28 | 57.2° | 175.0° |
| C35 | C30 | C29 | H21 | 178.2° | 55.0° |
| C35 | C30 | C29 | H22 | 63.9° | 65.0° |
| C30 | C35 | H24 | H25 | 118.9° | 119.9° |
| C30 | C35 | C34 | H26 | 179.1° | 60.0° |
| C30 | C35 | C34 | H27 | 61.4° | 180.0° |
| C35 | C30 | C31 | H32 | 169.4° | 60.1° |
| C35 | C30 | C31 | H33 | 72.1° | 180.0° |
| C30 | C29 | C28 | H21 | 121.1° | 120.0° |
| C30 | C29 | C28 | H22 | 121.0° | 120.0° |
| C30 | C29 | C28 | C18 | 56.4° | 180.0° |
| C30 | C29 | C28 | H19 | 177.7° | 60.0° |
| C30 | C29 | C28 | H20 | 64.8° | 59.9° |
| C30 | C29 | H21 | H22 | 116.7° | 119.9° |
| C29 | C30 | C35 | H24 | 54.7° | 60.0° |
| C29 | C30 | C35 | H25 | 64.6° | 60.0° |
| C29 | C30 | C31 | H32 | 65.2° | 60.0° |
| C29 | C30 | C31 | H33 | 53.3° | 60.0° |
| CL | C26 | C25 | C24 | 175.9° | 180.0° |
| CL | C26 | C25 | H39 | 4.1° | 0.1° |
| CL | C26 | C27 | H40 | 3.2° | 0.3° |
| C26 | C25 | C24 | C22 | 1.0° | 0.1° |
| C26 | C25 | C24 | H39 | 180.0° | 179.9° |
| C26 | C25 | C24 | H38 | 179.0° | 180.0° |
| C25 | C26 | C27 | H40 | 178.9° | 179.7° |
| C22 | C21 | C20 | H36 | 121.2° | 120.0° |
| C22 | C21 | C20 | H37 | 121.2° | 120.1° |
| C21 | C22 | C24 | C25 | 174.0° | 180.0° |
| C22 | C21 | C20 | N4 | 168.5° | 180.0° |
| C22 | C21 | C20 | H34 | 48.2° | 60.0° |
| C22 | C21 | C20 | H35 | 71.3° | 59.9° |
| C22 | C21 | H36 | H37 | 116.0° | 120.0° |
| C21 | C22 | C24 | H38 | 5.9° | 0.0° |
| C21 | C22 | C23 | H41 | 6.7° | 0.2° |
| C24 | C22 | C21 | C20 | 2.1° | 90.0° |
| C22 | C24 | C25 | H38 | 180.0° | 180.0° |
| C24 | C22 | C21 | H36 | 119.1° | 30.1° |
| C24 | C22 | C21 | H37 | 123.3° | 150.0° |
| C22 | C24 | C25 | H39 | 179.0° | 180.0° |
| C24 | C22 | C23 | H41 | 178.5° | 180.0° |
| C21 | C20 | N4 | H34 | 120.2° | 120.0° |
| C21 | C20 | N4 | H35 | 120.3° | 120.1° |
| C21 | C20 | N4 | C19 | 103.6° | 180.0° |
| C21 | C20 | N4 | H11 | 76.4° | 0.0° |
| C21 | C20 | H34 | H35 | 119.3° | 120.0° |
| C20 | C21 | H36 | H37 | 116.0° | 120.0° |
| C29 | C28 | C18 | C19 | 68.7° | 175.0° |
| C29 | C28 | C18 | H19 | 121.2° | 120.0° |
| C29 | C28 | C18 | H20 | 121.2° | 120.0° |
| C29 | C28 | C18 | N3 | 170.4° | 65.0° |
| C29 | C28 | C18 | H18 | 51.4° | 55.0° |
| C29 | C28 | H19 | H20 | 116.1° | 120.0° |
| C28 | C29 | H21 | H22 | 116.7° | 120.1° |
| C28 | C29 | C30 | H23 | 62.3° | 54.9° |
| C20 | N4 | C19 | H11 | 180.0° | 180.0° |
| C20 | N4 | C19 | O | 3.0° | 0.0° |
| C20 | N4 | C19 | C18 | 176.0° | 180.0° |
| N4 | C20 | H34 | H35 | 119.2° | 120.0° |
| N4 | C20 | C21 | H36 | 70.3° | 60.0° |
| N4 | C20 | C21 | H37 | 47.2° | 59.9° |
| N4 | C19 | O | C18 | 178.9° | 179.9° |
| N4 | C19 | C18 | C28 | 174.3° | 60.0° |
| N4 | C19 | C18 | N3 | 63.6° | 180.0° |
| N4 | C19 | C18 | H18 | 54.3° | 59.9° |
| C19 | N4 | C20 | H34 | 136.2° | 60.0° |
| C19 | N4 | C20 | H35 | 16.7° | 59.9° |
| O | C19 | C18 | C28 | 6.7° | 120.0° |
| O | C19 | C18 | N3 | 115.4° | 0.0° |
| O | C19 | N4 | H11 | 177.0° | 180.0° |
| O | C19 | C18 | H18 | 126.8° | 120.0° |
| C19 | C18 | C28 | N3 | 120.9° | 120.0° |
| C19 | C18 | C28 | H18 | 120.1° | 120.0° |
| C19 | C18 | N3 | H18 | 117.3° | 120.1° |
| C19 | C18 | N3 | C17 | 141.8° | 155.0° |
| C19 | C18 | N3 | H8 | 38.2° | 24.9° |
| C18 | C19 | N4 | H11 | 4.1° | 0.1° |
| C19 | C18 | C28 | H19 | 52.6° | 65.0° |
| C19 | C18 | C28 | H20 | 170.1° | 55.0° |
| C28 | C18 | N3 | H18 | 118.3° | 120.0° |
| C28 | C18 | N3 | C17 | 93.8° | 85.0° |
| C28 | C18 | N3 | H8 | 86.3° | 95.0° |
| C18 | C28 | H19 | H20 | 116.1° | 120.0° |
| C18 | C28 | C29 | H21 | 64.6° | 60.0° |
| C18 | C28 | C29 | H22 | 177.5° | 60.0° |
| C18 | N3 | C17 | O1 | 1.8° | 0.0° |
| C18 | N3 | C17 | H8 | 180.0° | 180.0° |
| C18 | N3 | C17 | C14 | 178.5° | 180.0° |
| N3 | C18 | C28 | H19 | 68.4° | 55.0° |
| N3 | C18 | C28 | H20 | 49.2° | 175.0° |
| O1 | C17 | N3 | C14 | 179.7° | 180.0° |
| O1 | C17 | C14 | C13 | 23.2° | 0.0° |
| O1 | C17 | C14 | C15 | 153.2° | 180.0° |
| O1 | C17 | N3 | H8 | 178.2° | 180.0° |
| N3 | C17 | C14 | C13 | 156.5° | 180.0° |
| N3 | C17 | C14 | C15 | 27.1° | 0.1° |
| C17 | N3 | C18 | H18 | 24.6° | 35.0° |
| C17 | C14 | C13 | C15 | 176.6° | 179.9° |
| C17 | C14 | C13 | C12 | 175.2° | 180.0° |
| C17 | C14 | C15 | C16 | 173.6° | 179.8° |
| C14 | C17 | N3 | H8 | 1.5° | 0.0° |
| C17 | C14 | C13 | H9 | 4.8° | 0.0° |
| C17 | C14 | C15 | H10 | 6.4° | 0.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C14 | C15 | C16 | 2.9° | 0.2° |
| C14 | C13 | C12 | H7 | 179.3° | 179.9° |
| C13 | C14 | C15 | H10 | 177.2° | 179.9° |
| C12 | C13 | C14 | C15 | 1.4° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.3° | 0.2° |
| C13 | C12 | C11 | C10 | 177.7° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 2.3° | 0.5° |
| C15 | C14 | C13 | H9 | 178.6° | 179.9° |
| C14 | C15 | C16 | H17 | 177.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.5° |
| C12 | C11 | C16 | C10 | 179.0° | 179.7° |
| C12 | C11 | C10 | N2 | 20.5° | 90.0° |
| C12 | C11 | C10 | H5 | 100.3° | 30.0° |
| C12 | C11 | C10 | H6 | 141.2° | 150.0° |
| C11 | C12 | C13 | H9 | 179.3° | 179.9° |
| C12 | C11 | C16 | H17 | 179.8° | 179.9° |
| C4 | C5 | C | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C | C1 | 0.1° | 0.5° |
| C5 | C4 | C3 | N | 178.9° | 179.8° |
| C5 | C4 | C3 | C2 | 0.9° | 0.3° |
| C4 | C5 | C | H16 | 179.9° | 179.9° |
| C | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C | C1 | H16 | 180.0° | 179.4° |
| C5 | C | C1 | C2 | 0.4° | 0.8° |
| C | C5 | C4 | H1 | 179.5° | 179.8° |
| C5 | C | C1 | H15 | 179.6° | 179.8° |
| C15 | C16 | C11 | H17 | 180.0° | 179.6° |
| C15 | C16 | C11 | C10 | 179.2° | 179.8° |
| C4 | C3 | N | C2 | 179.8° | 179.9° |
| C4 | C3 | N | N1 | 73.3° | 35.1° |
| C4 | C3 | N | C7 | 108.0° | 144.6° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C4 | C3 | C2 | H14 | 179.4° | 180.0° |
| C | C1 | C2 | C3 | 0.0° | 0.5° |
| C | C1 | C2 | H15 | 180.0° | 179.4° |
| C1 | C | C5 | H2 | 179.9° | 179.4° |
| C | C1 | C2 | H14 | 180.0° | 179.5° |
| C16 | C11 | C10 | N2 | 158.5° | 90.3° |
| C16 | C11 | C10 | H5 | 80.7° | 149.8° |
| C16 | C11 | C10 | H6 | 37.8° | 29.7° |
| C16 | C11 | C12 | H7 | 178.7° | 179.8° |
| C11 | C16 | C15 | H10 | 177.7° | 179.7° |
| C11 | C10 | N2 | C9 | 89.5° | 180.0° |
| C11 | C10 | N2 | H5 | 120.8° | 120.0° |
| C11 | C10 | N2 | H6 | 120.7° | 120.0° |
| C11 | C10 | N2 | H4 | 90.6° | 0.0° |
| C11 | C10 | H5 | H6 | 117.7° | 120.0° |
| C10 | C11 | C12 | H7 | 2.3° | 0.1° |
| C10 | C11 | C16 | H17 | 0.8° | 0.2° |
| C3 | N | N1 | C7 | 178.9° | 179.8° |
| C3 | N | N1 | C6 | 179.2° | 180.0° |
| C3 | N | C7 | N5 | 1.5° | 0.3° |
| C3 | N | C7 | C8 | 179.8° | 179.8° |
| N | C3 | C2 | C1 | 179.1° | 179.9° |
| N | C3 | C4 | H1 | 1.1° | 0.1° |
| N | C3 | C2 | H14 | 0.8° | 0.1° |
| C2 | C3 | N | N1 | 106.5° | 145.0° |
| C2 | C3 | N | C7 | 72.2° | 35.2° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.1° | 180.0° |
| C3 | C2 | C1 | H15 | 180.0° | 180.0° |
| N1 | N | C7 | N5 | 177.3° | 180.0° |
| N1 | N | C7 | C8 | 1.0° | 0.4° |
| N | N1 | C6 | C8 | 0.6° | 0.0° |
| N | N1 | C6 | H3 | 179.3° | 179.7° |
| C7 | N | N1 | C6 | 0.2° | 0.3° |
| N | C7 | N5 | C8 | 177.9° | 179.5° |
| N | C7 | C8 | C6 | 1.3° | 0.4° |
| N | C7 | C8 | C9 | 177.9° | 179.5° |
| N | C7 | N5 | H12 | 180.0° | 179.5° |
| N | C7 | N5 | H13 | 60.0° | 0.6° |
| N1 | C6 | C8 | C7 | 1.2° | 0.3° |
| N1 | C6 | C8 | H3 | 180.0° | 179.8° |
| N1 | C6 | C8 | C9 | 177.9° | 179.7° |
| N5 | C7 | C8 | C6 | 176.9° | 180.0° |
| N5 | C7 | C8 | C9 | 3.9° | 0.0° |
| C7 | N5 | H12 | H13 | 120.0° | 179.9° |
| C7 | C8 | C6 | C9 | 179.1° | 179.9° |
| C7 | C8 | C9 | O2 | 6.5° | 0.1° |
| C7 | C8 | C9 | N2 | 177.9° | 180.0° |
| C7 | C8 | C6 | H3 | 178.8° | 180.0° |
| C8 | C7 | N5 | H12 | 2.1° | 0.1° |
| C8 | C7 | N5 | H13 | 117.8° | 179.9° |
| C6 | C8 | C9 | O2 | 172.5° | 180.0° |
| C6 | C8 | C9 | N2 | 3.1° | 0.1° |
| C8 | C9 | O2 | N2 | 175.3° | 179.9° |
| C8 | C9 | N2 | C10 | 176.7° | 180.0° |
| C9 | C8 | C6 | H3 | 2.1° | 0.1° |
| C8 | C9 | N2 | H4 | 3.3° | 0.0° |
| O2 | C9 | N2 | C10 | 1.3° | 0.1° |
| O2 | C9 | N2 | H4 | 178.7° | 180.0° |
| C9 | N2 | C10 | H4 | 180.0° | 180.0° |
| C9 | N2 | C10 | H5 | 31.3° | 60.0° |
| C9 | N2 | C10 | H6 | 149.8° | 60.0° |
| C2 | C1 | C | H16 | 179.7° | 179.8° |
| N2 | C10 | H5 | H6 | 117.7° | 120.0° |
| H1 | C4 | C5 | H2 | 0.5° | 0.3° |
| H2 | C5 | C | H16 | 0.1° | 0.0° |
| H4 | N2 | C10 | H5 | 148.7° | 120.0° |
| H4 | N2 | C10 | H6 | 30.1° | 120.0° |
| H7 | C12 | C13 | H9 | 0.7° | 0.0° |
| H8 | N3 | C18 | H18 | 155.4° | 145.0° |
| H10 | C15 | C16 | H17 | 2.3° | 0.1° |
| H11 | N4 | C20 | H34 | 43.8° | 120.0° |
| H11 | N4 | C20 | H35 | 163.3° | 120.1° |
| H14 | C2 | C1 | H15 | 0.0° | 0.0° |
| H15 | C1 | C | H16 | 0.3° | 0.3° |
| H18 | C18 | C28 | H19 | 172.7° | 175.0° |
| H18 | C18 | C28 | H20 | 69.8° | 65.0° |
| H19 | C28 | C29 | H21 | 56.6° | 180.0° |
| H19 | C28 | C29 | H22 | 61.3° | 60.0° |
| H20 | C28 | C29 | H21 | 174.2° | 60.0° |
| H20 | C28 | C29 | H22 | 56.3° | 180.0° |
| H21 | C29 | C30 | H23 | 58.7° | 65.1° |
| H22 | C29 | C30 | H23 | 176.7° | 175.0° |
| H23 | C30 | C35 | H24 | 174.2° | 60.1° |
| H23 | C30 | C35 | H25 | 54.9° | 180.0° |
| H23 | C30 | C31 | H32 | 51.9° | 179.9° |
| H23 | C30 | C31 | H33 | 170.3° | 60.0° |
| H24 | C35 | C34 | H26 | 58.8° | 60.0° |
| H24 | C35 | C34 | H27 | 178.3° | 60.0° |
| H25 | C35 | C34 | H26 | 60.5° | 179.9° |
| H25 | C35 | C34 | H27 | 59.0° | 60.1° |
| H26 | C34 | C33 | H28 | 59.3° | 60.0° |
| H26 | C34 | C33 | H29 | 60.5° | 180.0° |
| H27 | C34 | C33 | H28 | 178.8° | 59.9° |
| H27 | C34 | C33 | H29 | 59.1° | 60.1° |
| H28 | C33 | C32 | H30 | 174.1° | 60.0° |
| H28 | C33 | C32 | H31 | 54.8° | 60.0° |
| H29 | C33 | C32 | H30 | 54.4° | 180.0° |
| H29 | C33 | C32 | H31 | 64.9° | 60.0° |
| H30 | C32 | C31 | H32 | 50.9° | 180.0° |
| H30 | C32 | C31 | H33 | 169.4° | 60.0° |
| H31 | C32 | C31 | H32 | 68.4° | 60.0° |
| H31 | C32 | C31 | H33 | 50.1° | 60.0° |
| H34 | C20 | C21 | H36 | 169.5° | NaN° |
| H34 | C20 | C21 | H37 | 73.0° | 60.1° |
| H35 | C20 | C21 | H36 | 50.0° | 60.1° |
| H35 | C20 | C21 | H37 | 167.5° | NaN° |
| H38 | C24 | C25 | H39 | 1.0° | 0.1° |
| H40 | C27 | C23 | H41 | 0.7° | 0.5° |
