78X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C9 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | N1 | sing | 1.34Å | 1.38Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N1 | N2 | sing | 1.38Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C5 | C8 | sing | 1.52Å | 1.53Å | |
| C10 | N3 | sing | 1.48Å | 1.47Å | |
| N3 | C18 | sing | 1.36Å | 1.38Å | |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C8 | C29 | sing | 1.50Å | 1.52Å | |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | N4 | sing | 1.48Å | 1.47Å | |
| C18 | O43 | doub | 1.21Å | 1.23Å | |
| O44 | C23 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O42 | sing | 1.36Å | 1.36Å | |
| C29 | O47 | sing | 1.34Å | 1.36Å | |
| C29 | O45 | doub | 1.21Å | 1.22Å | |
| N4 | C23 | sing | 1.37Å | 1.38Å | |
| O47 | C30 | sing | 1.45Å | 1.45Å | |
| C23 | C24 | sing | 1.50Å | 1.53Å | |
| C40 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.50Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C37 | C33 | sing | 1.48Å | 1.48Å | |
| C37 | C38 | doub | 1.32Å | 1.35Å | |
| C26 | O46 | sing | 1.43Å | 1.43Å | |
| O46 | C39 | sing | 1.43Å | 1.42Å | |
| C28 | C38 | sing | 1.50Å | 1.51Å | |
| C33 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C35 | H38 | sing | 1.08Å | 1.08Å | |
| C36 | H39 | sing | 1.08Å | 1.08Å | |
| C37 | H40 | sing | 1.08Å | 1.08Å | |
| C38 | H41 | sing | 1.08Å | 1.08Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| O42 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C9 | N1 | 121.0° | 119.3° |
| O41 | C9 | C10 | 122.0° | 119.3° |
| C7 | C6 | C5 | 110.0° | 111.1° |
| C6 | C7 | N1 | 105.7° | 107.9° |
| C6 | C7 | H3 | 110.4° | 109.8° |
| C6 | C7 | H4 | 110.4° | 109.7° |
| C7 | C6 | H5 | 109.4° | 109.2° |
| C7 | C6 | H6 | 109.4° | 109.1° |
| C6 | C5 | C8 | 112.4° | 111.7° |
| C5 | C6 | H5 | 109.3° | 109.1° |
| C5 | C6 | H6 | 109.3° | 109.2° |
| C6 | C5 | H10 | 108.8° | 109.0° |
| C6 | C5 | H11 | 108.7° | 108.9° |
| C7 | N1 | C9 | 127.6° | 121.6° |
| C7 | N1 | N2 | 114.5° | 118.7° |
| N1 | C7 | H3 | 110.4° | 109.8° |
| N1 | C7 | H4 | 110.4° | 109.8° |
| N1 | C9 | C10 | 117.0° | 121.3° |
| C9 | N1 | N2 | 117.9° | 119.7° |
| C9 | C10 | C11 | 107.7° | 109.7° |
| C9 | C10 | N3 | 109.8° | 108.5° |
| C9 | C10 | H12 | 109.2° | 109.7° |
| C10 | C11 | C12 | 116.2° | 109.5° |
| C11 | C10 | N3 | 110.9° | 109.6° |
| C11 | C10 | H12 | 109.1° | 109.8° |
| C10 | C11 | H13 | 107.8° | 109.4° |
| C10 | C11 | H14 | 107.8° | 109.5° |
| C11 | C12 | C17 | 120.0° | 119.9° |
| C11 | C12 | C13 | 121.2° | 120.0° |
| C12 | C11 | H13 | 107.7° | 109.5° |
| C12 | C11 | H14 | 107.8° | 109.5° |
| N1 | N2 | C8 | 111.7° | 109.9° |
| N1 | N2 | H2 | 108.9° | 111.0° |
| C21 | C20 | C22 | 108.6° | 109.4° |
| C21 | C20 | C19 | 109.0° | 109.5° |
| C21 | C20 | H19 | 108.7° | 109.4° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C5 | C8 | N2 | 110.7° | 109.5° |
| C5 | C8 | C29 | 109.0° | 110.1° |
| C5 | C8 | H8 | 110.0° | 109.5° |
| C8 | C5 | H10 | 108.7° | 109.0° |
| C8 | C5 | H11 | 108.8° | 109.0° |
| C10 | N3 | C18 | 121.9° | 116.2° |
| C10 | N3 | H1 | 119.0° | 121.9° |
| N3 | C10 | H12 | 110.1° | 109.6° |
| N3 | C18 | C19 | 115.0° | 118.6° |
| N3 | C18 | O43 | 124.6° | 120.7° |
| C18 | N3 | H1 | 119.0° | 121.9° |
| C17 | C12 | C13 | 118.7° | 120.1° |
| C12 | C17 | C16 | 120.7° | 120.1° |
| C12 | C17 | H17 | 119.6° | 120.0° |
| C12 | C13 | C14 | 119.8° | 119.9° |
| C12 | C13 | H7 | 120.1° | 120.0° |
| N2 | C8 | C29 | 105.9° | 109.0° |
| C8 | N2 | H2 | 108.9° | 111.0° |
| N2 | C8 | H8 | 110.9° | 109.1° |
| C8 | C29 | O47 | 110.3° | 120.0° |
| C8 | C29 | O45 | 125.1° | 120.0° |
| C29 | C8 | H8 | 110.2° | 109.6° |
| C17 | C16 | C15 | 120.3° | 120.1° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | H17 | 119.7° | 119.9° |
| C22 | C20 | C19 | 113.2° | 109.5° |
| C22 | C20 | H19 | 108.7° | 109.5° |
| C20 | C22 | H23 | 109.5° | 109.4° |
| C20 | C22 | H24 | 109.5° | 109.5° |
| C20 | C22 | H25 | 109.5° | 109.5° |
| C20 | C19 | C18 | 112.6° | 109.7° |
| C20 | C19 | N4 | 114.1° | 109.7° |
| C20 | C19 | H18 | 107.2° | 109.8° |
| C19 | C20 | H19 | 108.6° | 109.5° |
| C13 | C14 | C15 | 121.3° | 119.9° |
| C13 | C14 | O42 | 118.8° | 120.0° |
| C14 | C13 | H7 | 120.1° | 120.0° |
| C18 | C19 | N4 | 107.0° | 108.5° |
| C19 | C18 | O43 | 120.4° | 120.7° |
| C18 | C19 | H18 | 107.4° | 109.6° |
| C19 | N4 | C23 | 126.5° | 115.3° |
| C19 | N4 | H9 | 116.8° | 122.4° |
| N4 | C19 | H18 | 108.2° | 109.6° |
| O44 | C23 | N4 | 118.1° | 120.5° |
| O44 | C23 | C24 | 122.2° | 120.9° |
| C16 | C15 | C14 | 119.2° | 119.9° |
| C16 | C15 | H15 | 120.4° | 120.1° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C15 | C14 | O42 | 119.9° | 120.1° |
| C14 | C15 | H15 | 120.4° | 120.0° |
| C14 | O42 | H48 | 109.5° | 114.0° |
| O47 | C29 | O45 | 124.7° | 120.0° |
| C29 | O47 | C30 | 116.4° | 116.4° |
| N4 | C23 | C24 | 119.8° | 118.6° |
| C23 | N4 | H9 | 116.8° | 122.4° |
| O47 | C30 | C40 | 107.2° | 109.3° |
| O47 | C30 | C31 | 109.5° | 110.3° |
| O47 | C30 | H35 | 108.9° | 109.4° |
| C23 | C24 | C25 | 108.7° | 109.6° |
| C23 | C24 | C26 | 113.1° | 108.9° |
| C23 | C24 | H26 | 108.1° | 109.6° |
| C40 | C30 | C31 | 115.1° | 109.3° |
| C40 | C30 | H35 | 108.0° | 109.2° |
| C30 | C40 | H45 | 109.5° | 109.5° |
| C30 | C40 | H46 | 109.5° | 109.4° |
| C30 | C40 | H47 | 109.5° | 109.5° |
| C30 | C31 | C32 | 120.5° | 121.0° |
| C30 | C31 | C36 | 121.2° | 119.1° |
| C31 | C30 | H35 | 108.1° | 109.3° |
| C25 | C24 | C26 | 110.8° | 109.5° |
| C25 | C24 | H26 | 108.1° | 109.6° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.4° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C26 | C27 | 112.9° | 110.0° |
| C24 | C26 | O46 | 108.8° | 109.4° |
| C26 | C24 | H26 | 107.9° | 109.6° |
| C24 | C26 | H30 | 108.4° | 109.5° |
| C31 | C32 | C33 | 122.0° | 119.9° |
| C32 | C31 | C36 | 118.3° | 119.9° |
| C31 | C32 | H36 | 119.0° | 120.0° |
| C32 | C33 | C37 | 120.5° | 121.8° |
| C32 | C33 | C34 | 118.2° | 119.7° |
| C33 | C32 | H36 | 119.0° | 120.1° |
| C31 | C36 | C35 | 120.3° | 120.5° |
| C31 | C36 | H39 | 119.9° | 119.7° |
| C26 | C27 | C28 | 114.3° | 108.7° |
| C27 | C26 | O46 | 108.2° | 109.3° |
| C27 | C26 | H30 | 108.5° | 109.4° |
| C26 | C27 | H31 | 108.2° | 109.6° |
| C26 | C27 | H32 | 108.2° | 109.6° |
| C27 | C28 | C38 | 110.7° | 110.0° |
| C28 | C27 | H31 | 108.2° | 109.6° |
| C28 | C27 | H32 | 108.2° | 109.6° |
| C27 | C28 | H33 | 109.2° | 109.4° |
| C27 | C28 | H34 | 109.2° | 109.4° |
| C33 | C37 | C38 | 125.4° | 120.3° |
| C37 | C33 | C34 | 121.3° | 118.5° |
| C33 | C37 | H40 | 117.3° | 118.8° |
| C37 | C38 | C28 | 123.5° | 119.8° |
| C38 | C37 | H40 | 117.3° | 120.8° |
| C37 | C38 | H41 | 118.3° | 119.0° |
| C26 | O46 | C39 | 114.6° | 114.0° |
| O46 | C26 | H30 | 110.0° | 109.3° |
| O46 | C39 | H42 | 109.5° | 109.5° |
| O46 | C39 | H43 | 109.4° | 109.5° |
| O46 | C39 | H44 | 109.5° | 109.5° |
| C38 | C28 | H33 | 109.2° | 109.3° |
| C38 | C28 | H34 | 109.2° | 109.4° |
| C28 | C38 | H41 | 118.3° | 121.2° |
| C33 | C34 | C35 | 121.0° | 120.0° |
| C33 | C34 | H37 | 119.5° | 120.0° |
| C36 | C35 | C34 | 120.2° | 120.0° |
| C36 | C35 | H38 | 119.9° | 120.0° |
| C35 | C36 | H39 | 119.8° | 119.8° |
| C35 | C34 | H37 | 119.5° | 120.0° |
| C34 | C35 | H38 | 119.9° | 120.0° |
| H3 | C7 | H4 | 109.5° | 109.8° |
| H5 | C6 | H6 | 109.5° | 109.2° |
| H10 | C5 | H11 | 109.5° | 109.1° |
| H13 | C11 | H14 | 109.4° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H20 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.4° | 109.4° |
| H23 | C22 | H25 | 109.4° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.4° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.7° |
| H33 | C28 | H34 | 109.5° | 109.2° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H42 | C39 | H44 | 109.5° | 109.4° |
| H43 | C39 | H44 | 109.5° | 109.5° |
| H45 | C40 | H46 | 109.5° | 109.4° |
| H45 | C40 | H47 | 109.5° | 109.5° |
| H46 | C40 | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C9 | N1 | C7 | 0.1° | 171.9° |
| O41 | C9 | N1 | C10 | 178.7° | 180.0° |
| O41 | C9 | C10 | C11 | 82.5° | 91.4° |
| O41 | C9 | N1 | N2 | 179.7° | 8.3° |
| O41 | C9 | C10 | N3 | 38.3° | 28.4° |
| O41 | C9 | C10 | H12 | 159.1° | 148.0° |
| C7 | C6 | C5 | H5 | 120.1° | 120.4° |
| C7 | C6 | C5 | H6 | 120.1° | 120.4° |
| C6 | C7 | N1 | H3 | 119.4° | 119.6° |
| C6 | C7 | N1 | H4 | 119.4° | 119.6° |
| C6 | C7 | N1 | C9 | 115.1° | 163.0° |
| C6 | C7 | N1 | N2 | 64.5° | 17.2° |
| C7 | C6 | C5 | C8 | 52.8° | 35.3° |
| C6 | C7 | H3 | H4 | 121.7° | 120.8° |
| C7 | C6 | H5 | H6 | 119.8° | 119.2° |
| C7 | C6 | C5 | H10 | 173.2° | 85.3° |
| C7 | C6 | C5 | H11 | 67.7° | 155.8° |
| C5 | C6 | C7 | N1 | 57.7° | 57.4° |
| C6 | C5 | C8 | H10 | 120.4° | 120.6° |
| C6 | C5 | C8 | H11 | 120.4° | 120.5° |
| C6 | C5 | C8 | N2 | 48.1° | 24.0° |
| C6 | C5 | C8 | C29 | 164.2° | 143.8° |
| C5 | C6 | C7 | H3 | 61.7° | 62.2° |
| C5 | C6 | C7 | H4 | 177.1° | 177.0° |
| C5 | C6 | H5 | H6 | 119.7° | 119.2° |
| C6 | C5 | C8 | H8 | 74.8° | 95.6° |
| C6 | C5 | H10 | H11 | 118.7° | 118.8° |
| C7 | N1 | C9 | N2 | 179.6° | 179.7° |
| C7 | N1 | C9 | C10 | 178.6° | 8.1° |
| C7 | N1 | N2 | C8 | 62.6° | 44.0° |
| C7 | N1 | N2 | H2 | 57.8° | 79.2° |
| N1 | C7 | H3 | H4 | 121.7° | 120.8° |
| N1 | C7 | C6 | H5 | 62.4° | 177.7° |
| N1 | C7 | C6 | H6 | 177.8° | 63.0° |
| N1 | C9 | C10 | C11 | 96.2° | 88.6° |
| N1 | C9 | C10 | N3 | 143.1° | 151.6° |
| C9 | N1 | N2 | C8 | 117.0° | 135.8° |
| C9 | N1 | N2 | H2 | 122.6° | 101.0° |
| C9 | N1 | C7 | H3 | 125.5° | 77.4° |
| C9 | N1 | C7 | H4 | 4.3° | 43.4° |
| N1 | C9 | C10 | H12 | 22.2° | 32.0° |
| C9 | C10 | C11 | N3 | 120.1° | 119.0° |
| C9 | C10 | C11 | H12 | 118.5° | 120.6° |
| C9 | C10 | C11 | C12 | 167.0° | 176.0° |
| C10 | C9 | N1 | N2 | 1.0° | 171.7° |
| C9 | C10 | N3 | H12 | 120.3° | 119.7° |
| C9 | C10 | N3 | C18 | 93.2° | 96.9° |
| C9 | C10 | N3 | H1 | 86.8° | 83.0° |
| C9 | C10 | C11 | H13 | 72.0° | 64.0° |
| C9 | C10 | C11 | H14 | 46.0° | 56.0° |
| C10 | C11 | C12 | H13 | 121.0° | 120.0° |
| C10 | C11 | C12 | H14 | 121.0° | 120.1° |
| C11 | C10 | N3 | H12 | 120.8° | 120.6° |
| C11 | C10 | N3 | C18 | 148.0° | 143.3° |
| C10 | C11 | C12 | C17 | 64.4° | 90.0° |
| C10 | C11 | C12 | C13 | 115.9° | 90.3° |
| C11 | C10 | N3 | H1 | 32.0° | 36.8° |
| C10 | C11 | H13 | H14 | 116.9° | 120.0° |
| C12 | C11 | C10 | N3 | 72.9° | 64.9° |
| C11 | C12 | C17 | C13 | 179.8° | 179.7° |
| C11 | C12 | C17 | C16 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C13 | H7 | 0.3° | 0.0° |
| C12 | C11 | C10 | H12 | 48.5° | 55.5° |
| C12 | C11 | H13 | H14 | 116.9° | 120.0° |
| C11 | C12 | C17 | H17 | 0.2° | 0.0° |
| N1 | N2 | C8 | C5 | 51.0° | 66.0° |
| N1 | N2 | C8 | H2 | 120.4° | 123.2° |
| N1 | N2 | C8 | C29 | 169.1° | 173.6° |
| N2 | N1 | C7 | H3 | 54.9° | 102.3° |
| N2 | N1 | C7 | H4 | 176.1° | 136.8° |
| N1 | N2 | C8 | H8 | 71.4° | 53.9° |
| C21 | C20 | C22 | C19 | 121.2° | 120.0° |
| C21 | C20 | C22 | H19 | 118.1° | 119.9° |
| C21 | C20 | C19 | H19 | 118.3° | 120.0° |
| C21 | C20 | C19 | C18 | 61.7° | 178.2° |
| C21 | C20 | C19 | N4 | 176.0° | 62.8° |
| C21 | C20 | C19 | H18 | 56.2° | 57.7° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C21 | C20 | C22 | H23 | 180.0° | 164.8° |
| C21 | C20 | C22 | H24 | 60.0° | 44.9° |
| C21 | C20 | C22 | H25 | 60.0° | 75.2° |
| C5 | C8 | N2 | C29 | 118.0° | 120.5° |
| C5 | C8 | N2 | H8 | 122.4° | 119.8° |
| C5 | C8 | C29 | H8 | 120.8° | 120.5° |
| C5 | C8 | C29 | O47 | 110.3° | 136.8° |
| C5 | C8 | C29 | O45 | 69.8° | 43.2° |
| C5 | C8 | N2 | H2 | 69.3° | 57.3° |
| C8 | C5 | C6 | H5 | 67.3° | 155.7° |
| C8 | C5 | C6 | H6 | 172.9° | 85.1° |
| C8 | C5 | H10 | H11 | 118.7° | 118.9° |
| C10 | N3 | C18 | H1 | 180.0° | 179.9° |
| C10 | N3 | C18 | C19 | 178.1° | 166.7° |
| C10 | N3 | C18 | O43 | 0.1° | 13.2° |
| N3 | C10 | C11 | H13 | 48.1° | 55.1° |
| N3 | C10 | C11 | H14 | 166.1° | 175.0° |
| N3 | C18 | C19 | C20 | 123.4° | 32.6° |
| N3 | C18 | C19 | O43 | 178.1° | 179.9° |
| N3 | C18 | C19 | N4 | 110.4° | 152.4° |
| C18 | N3 | C10 | H12 | 27.1° | 22.8° |
| N3 | C18 | C19 | H18 | 5.6° | 87.9° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C17 | C16 | C15 | 0.7° | 0.0° |
| C17 | C12 | C13 | H7 | 180.0° | 179.7° |
| C17 | C12 | C11 | H13 | 56.6° | 30.0° |
| C17 | C12 | C11 | H14 | 174.6° | 150.0° |
| C12 | C17 | C16 | H16 | 179.3° | 180.0° |
| C13 | C12 | C17 | C16 | 0.4° | 0.3° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | O42 | 179.7° | 180.0° |
| C13 | C12 | C11 | H13 | 123.1° | 149.7° |
| C13 | C12 | C11 | H14 | 5.1° | 29.8° |
| C13 | C12 | C17 | H17 | 179.6° | 179.7° |
| N2 | C8 | C29 | H8 | 120.0° | 119.4° |
| N2 | C8 | C29 | O47 | 130.6° | 103.2° |
| N2 | C8 | C29 | O45 | 49.4° | 76.8° |
| N2 | C8 | C5 | H10 | 168.5° | 144.6° |
| N2 | C8 | C5 | H11 | 72.4° | 96.4° |
| C8 | C29 | O47 | O45 | 179.9° | 180.0° |
| C8 | C29 | O47 | C30 | 179.6° | 176.4° |
| C29 | C8 | N2 | H2 | 48.7° | 63.2° |
| C29 | C8 | C5 | H10 | 75.4° | 95.6° |
| C29 | C8 | C5 | H11 | 43.8° | 23.3° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.6° | 0.3° |
| C17 | C16 | C15 | H15 | 179.4° | 180.0° |
| C22 | C20 | C19 | H19 | 120.8° | 120.0° |
| C22 | C20 | C19 | C18 | 177.4° | 61.9° |
| C22 | C20 | C19 | N4 | 55.1° | 57.2° |
| C22 | C20 | C19 | H18 | 64.7° | 177.7° |
| C22 | C20 | C21 | H20 | 180.0° | 92.1° |
| C22 | C20 | C21 | H21 | 60.0° | 27.9° |
| C22 | C20 | C21 | H22 | 60.0° | 147.9° |
| C20 | C22 | H23 | H24 | 120.0° | 119.9° |
| C20 | C22 | H23 | H25 | 120.0° | 120.0° |
| C20 | C22 | H24 | H25 | 120.0° | 120.0° |
| C20 | C19 | C18 | N4 | 126.2° | 119.8° |
| C20 | C19 | C18 | H18 | 117.8° | 120.6° |
| C20 | C19 | N4 | H18 | 119.2° | 120.6° |
| C20 | C19 | C18 | O43 | 58.5° | 147.3° |
| C20 | C19 | N4 | C23 | 143.5° | 2.6° |
| C20 | C19 | N4 | H9 | 36.5° | 177.7° |
| C19 | C20 | C21 | H20 | 56.3° | 27.8° |
| C19 | C20 | C21 | H21 | 63.8° | 147.8° |
| C19 | C20 | C21 | H22 | 176.3° | 92.1° |
| C19 | C20 | C22 | H23 | 58.8° | 75.2° |
| C19 | C20 | C22 | H24 | 178.8° | 164.9° |
| C19 | C20 | C22 | H25 | 61.2° | 44.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C15 | O42 | 179.9° | 180.0° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | O42 | H48 | 180.0° | 90.0° |
| C18 | C19 | N4 | H18 | 115.4° | 119.6° |
| C18 | C19 | N4 | C23 | 91.2° | 122.4° |
| C19 | C18 | N3 | H1 | 1.9° | 13.2° |
| C18 | C19 | N4 | H9 | 88.8° | 58.0° |
| C18 | C19 | C20 | H19 | 56.6° | 58.2° |
| N4 | C19 | C18 | O43 | 67.7° | 27.5° |
| C19 | N4 | C23 | O44 | 1.4° | 4.6° |
| C19 | N4 | C23 | H9 | 180.0° | 179.7° |
| C19 | N4 | C23 | C24 | 178.7° | 175.4° |
| N4 | C19 | C20 | H19 | 65.7° | 177.2° |
| O43 | C18 | N3 | H1 | 179.9° | 166.8° |
| O43 | C18 | C19 | H18 | 176.3° | 92.1° |
| O44 | C23 | N4 | C24 | 179.9° | 179.9° |
| O44 | C23 | C24 | C25 | 96.4° | 95.3° |
| O44 | C23 | C24 | C26 | 140.1° | 24.4° |
| O44 | C23 | N4 | H9 | 178.7° | 175.8° |
| O44 | C23 | C24 | H26 | 20.7° | 144.4° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | O42 | 179.9° | 179.7° |
| C15 | C16 | C17 | H17 | 179.3° | 180.0° |
| C15 | C14 | C13 | H7 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16 | 179.4° | 179.8° |
| C15 | C14 | O42 | H48 | 0.0° | 89.9° |
| O42 | C14 | C13 | H7 | 0.3° | 0.0° |
| O42 | C14 | C15 | H15 | 0.1° | 0.0° |
| C29 | O47 | C30 | C40 | 158.6° | 47.7° |
| C29 | O47 | C30 | C31 | 75.9° | 167.9° |
| O47 | C29 | C8 | H8 | 10.5° | 16.2° |
| C29 | O47 | C30 | H35 | 42.1° | 71.9° |
| O45 | C29 | O47 | C30 | 0.5° | 3.6° |
| O45 | C29 | C8 | H8 | 169.4° | 163.8° |
| N4 | C23 | C24 | C25 | 83.6° | 84.6° |
| N4 | C23 | C24 | C26 | 39.9° | 155.6° |
| C23 | N4 | C19 | H18 | 24.3° | 118.0° |
| N4 | C23 | C24 | H26 | 159.3° | 35.7° |
| O47 | C30 | C40 | C31 | 122.0° | 120.8° |
| O47 | C30 | C40 | H35 | 117.2° | 119.6° |
| O47 | C30 | C31 | H35 | 118.5° | 120.3° |
| O47 | C30 | C31 | C32 | 22.3° | 39.6° |
| O47 | C30 | C31 | C36 | 158.3° | 140.8° |
| O47 | C30 | C40 | H45 | 180.0° | 48.2° |
| O47 | C30 | C40 | H46 | 60.0° | 71.8° |
| O47 | C30 | C40 | H47 | 60.0° | 168.2° |
| C23 | C24 | C25 | C26 | 124.9° | 119.4° |
| C23 | C24 | C25 | H26 | 117.1° | 120.3° |
| C23 | C24 | C26 | H26 | 119.5° | 119.9° |
| C23 | C24 | C26 | C27 | 47.8° | 132.8° |
| C23 | C24 | C26 | O46 | 72.3° | 12.7° |
| C24 | C23 | N4 | H9 | 1.3° | 4.3° |
| C23 | C24 | C25 | H27 | 180.0° | 60.0° |
| C23 | C24 | C25 | H28 | 60.0° | 180.0° |
| C23 | C24 | C25 | H29 | 60.0° | 60.0° |
| C23 | C24 | C26 | H30 | 168.1° | 107.0° |
| C40 | C30 | C31 | H35 | 120.7° | 119.5° |
| C40 | C30 | C31 | C32 | 98.4° | 159.8° |
| C40 | C30 | C31 | C36 | 80.9° | 20.6° |
| C30 | C40 | H45 | H46 | 120.0° | 120.0° |
| C30 | C40 | H45 | H47 | 120.0° | 120.1° |
| C30 | C40 | H46 | H47 | 120.0° | 120.0° |
| C30 | C31 | C32 | C36 | 179.4° | 179.6° |
| C30 | C31 | C32 | C33 | 179.8° | 179.4° |
| C30 | C31 | C36 | C35 | 180.0° | 179.7° |
| C30 | C31 | C32 | H36 | 0.2° | 0.5° |
| C30 | C31 | C36 | H39 | 0.0° | 0.3° |
| C31 | C30 | C40 | H45 | 58.0° | 72.6° |
| C31 | C30 | C40 | H46 | 62.0° | 167.4° |
| C31 | C30 | C40 | H47 | 178.0° | 47.4° |
| C25 | C24 | C26 | H26 | 118.1° | 120.3° |
| C25 | C24 | C26 | C27 | 170.2° | 107.4° |
| C25 | C24 | C26 | O46 | 50.1° | 132.5° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H29 | 120.0° | 120.0° |
| C25 | C24 | C26 | H30 | 69.6° | 12.8° |
| C24 | C26 | C27 | O46 | 120.5° | 120.1° |
| C24 | C26 | C27 | H30 | 120.2° | 120.3° |
| C24 | C26 | C27 | C28 | 89.8° | 173.3° |
| C24 | C26 | O46 | H30 | 118.7° | 119.8° |
| C24 | C26 | O46 | C39 | 174.4° | 127.8° |
| C26 | C24 | C25 | H27 | 55.1° | 179.4° |
| C26 | C24 | C25 | H28 | 64.9° | 60.6° |
| C26 | C24 | C25 | H29 | 175.1° | 59.4° |
| C24 | C26 | C27 | H31 | 30.9° | 67.0° |
| C24 | C26 | C27 | H32 | 149.5° | 53.5° |
| C31 | C32 | C33 | H36 | 180.0° | 180.0° |
| C31 | C32 | C33 | C37 | 179.8° | 179.5° |
| C31 | C32 | C33 | C34 | 0.1° | 0.4° |
| C32 | C31 | C36 | C35 | 0.6° | 0.1° |
| C32 | C31 | C30 | H35 | 140.8° | 80.7° |
| C32 | C31 | C36 | H39 | 179.4° | 179.9° |
| C33 | C32 | C31 | C36 | 0.4° | 0.1° |
| C32 | C33 | C37 | C34 | 179.8° | 179.9° |
| C32 | C33 | C37 | C38 | 179.8° | 7.8° |
| C32 | C33 | C34 | C35 | 0.0° | 0.4° |
| C32 | C33 | C34 | H37 | 180.0° | 179.6° |
| C32 | C33 | C37 | H40 | 0.1° | 172.5° |
| C31 | C36 | C35 | H39 | 180.0° | 180.0° |
| C31 | C36 | C35 | C34 | 0.5° | 0.1° |
| C36 | C31 | C30 | H35 | 39.8° | 98.9° |
| C36 | C31 | C32 | H36 | 179.6° | 179.9° |
| C31 | C36 | C35 | H38 | 179.5° | 179.9° |
| C26 | C27 | C28 | H31 | 120.7° | 119.7° |
| C26 | C27 | C28 | H32 | 120.7° | 119.8° |
| C27 | C26 | O46 | H30 | 118.4° | 119.7° |
| C27 | C26 | O46 | C39 | 62.7° | 111.7° |
| C26 | C27 | C28 | C38 | 152.3° | 107.3° |
| C27 | C26 | C24 | H26 | 71.7° | 12.9° |
| C26 | C27 | H31 | H32 | 117.8° | 120.4° |
| C26 | C27 | C28 | H33 | 32.1° | 12.8° |
| C26 | C27 | C28 | H34 | 87.5° | 132.4° |
| C27 | C28 | C38 | C37 | 82.5° | 139.4° |
| C28 | C27 | C26 | O46 | 149.7° | 53.2° |
| C27 | C28 | C38 | H33 | 120.2° | 120.2° |
| C27 | C28 | C38 | H34 | 120.2° | 120.2° |
| C28 | C27 | C26 | H30 | 30.4° | 66.4° |
| C28 | C27 | H31 | H32 | 117.8° | 120.4° |
| C27 | C28 | H33 | H34 | 119.4° | 119.7° |
| C27 | C28 | C38 | H41 | 97.5° | 39.6° |
| C33 | C37 | C38 | H40 | 180.0° | 179.7° |
| C33 | C37 | C38 | C28 | 179.5° | 179.6° |
| C37 | C33 | C34 | C35 | 179.9° | 179.5° |
| C37 | C33 | C32 | H36 | 0.2° | 0.4° |
| C37 | C33 | C34 | H37 | 0.1° | 0.5° |
| C33 | C37 | C38 | H41 | 0.5° | 1.4° |
| C37 | C38 | C28 | H41 | 180.0° | 179.0° |
| C38 | C37 | C33 | C34 | 0.3° | 172.3° |
| C37 | C38 | C28 | H33 | 157.3° | 100.4° |
| C37 | C38 | C28 | H34 | 37.7° | 19.2° |
| O46 | C26 | C24 | H26 | 168.2° | 107.2° |
| O46 | C26 | C27 | H31 | 89.6° | 172.9° |
| O46 | C26 | C27 | H32 | 29.0° | 66.6° |
| C26 | O46 | C39 | H42 | 180.0° | 174.1° |
| C26 | O46 | C39 | H43 | 60.0° | 54.1° |
| C26 | O46 | C39 | H44 | 60.0° | 65.9° |
| C39 | O46 | C26 | H30 | 55.7° | 8.0° |
| O46 | C39 | H42 | H43 | 120.0° | 120.0° |
| O46 | C39 | H42 | H44 | 120.0° | 120.0° |
| O46 | C39 | H43 | H44 | 120.0° | 120.0° |
| C38 | C28 | C27 | H31 | 87.0° | 133.0° |
| C38 | C28 | C27 | H32 | 31.6° | 12.5° |
| C38 | C28 | H33 | H34 | 119.4° | 119.7° |
| C28 | C38 | C37 | H40 | 0.5° | 0.7° |
| C33 | C34 | C35 | C36 | 0.2° | 0.1° |
| C33 | C34 | C35 | H37 | 180.0° | 180.0° |
| C34 | C33 | C32 | H36 | 180.0° | 179.7° |
| C33 | C34 | C35 | H38 | 179.8° | 179.9° |
| C34 | C33 | C37 | H40 | 179.7° | 7.4° |
| C36 | C35 | C34 | H38 | 180.0° | 180.0° |
| C36 | C35 | C34 | H37 | 179.8° | 179.9° |
| C34 | C35 | C36 | H39 | 179.5° | 179.9° |
| H1 | N3 | C10 | H12 | 152.9° | 157.3° |
| H2 | N2 | C8 | H8 | 168.3° | 177.1° |
| H3 | C7 | C6 | H5 | 178.2° | 58.1° |
| H3 | C7 | C6 | H6 | 58.4° | 177.4° |
| H4 | C7 | C6 | H5 | 57.0° | 62.7° |
| H4 | C7 | C6 | H6 | 62.8° | 56.6° |
| H5 | C6 | C5 | H10 | 53.1° | 35.1° |
| H5 | C6 | C5 | H11 | 172.2° | 83.8° |
| H6 | C6 | C5 | H10 | 66.7° | 154.3° |
| H6 | C6 | C5 | H11 | 52.4° | 35.4° |
| H8 | C8 | C5 | H10 | 45.6° | 25.0° |
| H8 | C8 | C5 | H11 | 164.7° | 144.0° |
| H9 | N4 | C19 | H18 | 155.8° | 61.7° |
| H12 | C10 | C11 | H13 | 169.5° | 175.5° |
| H12 | C10 | C11 | H14 | 72.5° | 64.6° |
| H15 | C15 | C16 | H16 | 0.6° | 0.0° |
| H16 | C16 | C17 | H17 | 0.7° | 0.0° |
| H18 | C19 | C20 | H19 | 174.5° | 62.2° |
| H19 | C20 | C21 | H20 | 61.9° | 147.9° |
| H19 | C20 | C21 | H21 | 178.0° | 92.1° |
| H19 | C20 | C21 | H22 | 58.1° | 27.9° |
| H19 | C20 | C22 | H23 | 61.9° | 44.8° |
| H19 | C20 | C22 | H24 | 58.1° | 75.1° |
| H19 | C20 | C22 | H25 | 178.1° | 164.8° |
| H20 | C21 | H21 | H22 | 120.0° | 120.0° |
| H23 | C22 | H24 | H25 | 119.9° | 120.0° |
| H26 | C24 | C25 | H27 | 62.9° | 60.3° |
| H26 | C24 | C25 | H28 | 177.1° | 59.7° |
| H26 | C24 | C25 | H29 | 57.2° | 179.7° |
| H26 | C24 | C26 | H30 | 48.6° | 133.1° |
| H27 | C25 | H28 | H29 | 120.0° | 120.0° |
| H30 | C26 | C27 | H31 | 151.1° | 53.3° |
| H30 | C26 | C27 | H32 | 90.3° | 173.7° |
| H31 | C27 | C28 | H33 | 152.8° | 106.9° |
| H31 | C27 | C28 | H34 | 33.2° | 12.7° |
| H32 | C27 | C28 | H33 | 88.6° | 132.6° |
| H32 | C27 | C28 | H34 | 151.8° | 107.7° |
| H33 | C28 | C38 | H41 | 22.7° | 80.6° |
| H34 | C28 | C38 | H41 | 142.3° | 159.8° |
| H35 | C30 | C40 | H45 | 62.8° | 167.8° |
| H35 | C30 | C40 | H46 | 177.2° | 47.8° |
| H35 | C30 | C40 | H47 | 57.2° | 72.2° |
| H37 | C34 | C35 | H38 | 0.2° | 0.1° |
| H38 | C35 | C36 | H39 | 0.5° | 0.1° |
| H40 | C37 | C38 | H41 | 179.5° | 178.3° |
| H42 | C39 | H43 | H44 | 120.0° | 120.0° |
| H45 | C40 | H46 | H47 | 120.0° | 120.0° |
