78R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C9 | doub | 1.21Å | 1.24Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.52Å | 1.55Å | |
| C7 | N1 | sing | 1.47Å | 1.45Å | |
| C9 | N1 | sing | 1.34Å | 1.36Å | |
| C9 | C10 | sing | 1.50Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| N1 | N2 | sing | 1.38Å | 1.42Å | |
| C5 | C8 | sing | 1.52Å | 1.53Å | |
| N3 | C10 | sing | 1.48Å | 1.44Å | |
| N3 | C18 | sing | 1.37Å | 1.35Å | |
| C12 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C8 | C29 | sing | 1.51Å | 1.51Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C19 | N4 | sing | 1.48Å | 1.47Å | |
| O44 | C23 | doub | 1.21Å | 1.22Å | |
| C18 | O43 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O42 | sing | 1.36Å | 1.37Å | |
| C29 | O47 | sing | 1.35Å | 1.34Å | |
| C29 | O45 | doub | 1.21Å | 1.19Å | |
| C23 | N4 | sing | 1.36Å | 1.40Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| O47 | C30 | sing | 1.45Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C31 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | O46 | sing | 1.43Å | 1.44Å | |
| O46 | C39 | sing | 1.43Å | 1.42Å | |
| C37 | C33 | sing | 1.48Å | 1.48Å | |
| C37 | C38 | doub | 1.33Å | 1.33Å | |
| C33 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C38 | sing | 1.51Å | 1.50Å | |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | H1 | sing | 1.01Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H40 | sing | 1.08Å | 1.08Å | |
| C37 | H41 | sing | 1.09Å | 1.08Å | |
| C38 | H42 | sing | 1.09Å | 1.08Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| O42 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C9 | N1 | 119.0° | 119.3° |
| O41 | C9 | C10 | 122.3° | 119.3° |
| C7 | C6 | C5 | 110.9° | 110.8° |
| C6 | C7 | N1 | 105.5° | 108.7° |
| C6 | C7 | H4 | 110.4° | 109.6° |
| C6 | C7 | H5 | 110.5° | 109.7° |
| C7 | C6 | H16 | 109.1° | 109.2° |
| C7 | C6 | H17 | 109.1° | 109.2° |
| C6 | C5 | C8 | 108.8° | 112.2° |
| C6 | C5 | H2 | 109.7° | 108.9° |
| C6 | C5 | H3 | 109.7° | 108.9° |
| C5 | C6 | H16 | 109.1° | 109.2° |
| C5 | C6 | H17 | 109.1° | 109.2° |
| C7 | N1 | C9 | 124.8° | 121.3° |
| C7 | N1 | N2 | 115.4° | 119.1° |
| N1 | C7 | H4 | 110.5° | 109.6° |
| N1 | C7 | H5 | 110.4° | 109.7° |
| N1 | C9 | C10 | 118.6° | 121.4° |
| C9 | N1 | N2 | 119.8° | 119.6° |
| C9 | C10 | C11 | 106.0° | 109.6° |
| C9 | C10 | N3 | 110.5° | 108.7° |
| C9 | C10 | H7 | 109.6° | 109.6° |
| C21 | C20 | C22 | 109.0° | 109.5° |
| C21 | C20 | C19 | 109.9° | 109.5° |
| C21 | C20 | H15 | 108.1° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.4° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C10 | C11 | C12 | 114.4° | 109.5° |
| C11 | C10 | N3 | 110.2° | 109.6° |
| C11 | C10 | H7 | 109.5° | 109.8° |
| C10 | C11 | H11 | 108.2° | 109.5° |
| C10 | C11 | H12 | 108.2° | 109.4° |
| C11 | C12 | C17 | 121.2° | 120.0° |
| C11 | C12 | C13 | 119.3° | 120.0° |
| C12 | C11 | H11 | 108.2° | 109.5° |
| C12 | C11 | H12 | 108.2° | 109.5° |
| N1 | N2 | C8 | 111.7° | 110.0° |
| N1 | N2 | H1 | 108.9° | 111.0° |
| C5 | C8 | N2 | 110.9° | 109.4° |
| C5 | C8 | C29 | 109.3° | 110.7° |
| C8 | C5 | H2 | 109.6° | 108.9° |
| C8 | C5 | H3 | 109.6° | 108.9° |
| C5 | C8 | H9 | 110.0° | 109.8° |
| C10 | N3 | C18 | 118.7° | 115.2° |
| N3 | C10 | H7 | 110.9° | 109.5° |
| C10 | N3 | H21 | 120.6° | 122.3° |
| N3 | C18 | C19 | 114.3° | 118.6° |
| N3 | C18 | O43 | 125.8° | 120.7° |
| C18 | N3 | H21 | 120.6° | 122.5° |
| C17 | C12 | C13 | 119.4° | 120.1° |
| C12 | C17 | C16 | 119.5° | 120.1° |
| C12 | C17 | H10 | 120.3° | 120.0° |
| C12 | C13 | C14 | 118.7° | 119.9° |
| C12 | C13 | H13 | 120.6° | 120.0° |
| N2 | C8 | C29 | 105.3° | 109.4° |
| C8 | N2 | H1 | 108.9° | 111.0° |
| N2 | C8 | H9 | 110.9° | 109.0° |
| C8 | C29 | O47 | 109.6° | 119.6° |
| C8 | C29 | O45 | 128.7° | 120.2° |
| C29 | C8 | H9 | 110.3° | 108.5° |
| C22 | C20 | C19 | 113.1° | 109.5° |
| C22 | C20 | H15 | 108.2° | 109.4° |
| C20 | C22 | H23 | 109.5° | 109.5° |
| C20 | C22 | H24 | 109.5° | 109.5° |
| C20 | C22 | H25 | 109.5° | 109.4° |
| C17 | C16 | C15 | 121.7° | 120.1° |
| C17 | C16 | H6 | 119.2° | 119.9° |
| C16 | C17 | H10 | 120.2° | 119.9° |
| C20 | C19 | C18 | 112.6° | 109.7° |
| C20 | C19 | N4 | 112.1° | 109.7° |
| C20 | C19 | H14 | 107.6° | 109.7° |
| C19 | C20 | H15 | 108.3° | 109.5° |
| C18 | C19 | N4 | 108.9° | 108.4° |
| C19 | C18 | O43 | 119.8° | 120.7° |
| C18 | C19 | H14 | 107.3° | 109.6° |
| C19 | N4 | C23 | 117.6° | 116.5° |
| N4 | C19 | H14 | 108.2° | 109.7° |
| C19 | N4 | H22 | 121.2° | 121.8° |
| O44 | C23 | N4 | 122.6° | 120.4° |
| O44 | C23 | C24 | 121.7° | 120.5° |
| C13 | C14 | C15 | 122.6° | 119.9° |
| C13 | C14 | O42 | 119.3° | 120.1° |
| C14 | C13 | H13 | 120.7° | 120.0° |
| C16 | C15 | C14 | 117.9° | 119.9° |
| C15 | C16 | H6 | 119.1° | 120.0° |
| C16 | C15 | H8 | 121.1° | 120.0° |
| C15 | C14 | O42 | 118.0° | 120.0° |
| C14 | C15 | H8 | 121.0° | 120.1° |
| C14 | O42 | H46 | 109.5° | 114.0° |
| O47 | C29 | O45 | 121.8° | 120.2° |
| C29 | O47 | C30 | 111.5° | 117.6° |
| N4 | C23 | C24 | 115.6° | 119.2° |
| C23 | N4 | H22 | 121.2° | 121.7° |
| C23 | C24 | C25 | 107.8° | 109.6° |
| C23 | C24 | C26 | 111.9° | 109.2° |
| C23 | C24 | H26 | 107.8° | 109.5° |
| O47 | C30 | C31 | 115.0° | 111.3° |
| O47 | C30 | H35 | 108.1° | 109.2° |
| O47 | C30 | H36 | 108.1° | 109.1° |
| C25 | C24 | C26 | 113.5° | 109.6° |
| C25 | C24 | H26 | 107.9° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.4° |
| C24 | C25 | H28 | 109.5° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C26 | C27 | 108.2° | 109.9° |
| C24 | C26 | O46 | 108.8° | 109.4° |
| C26 | C24 | H26 | 107.8° | 109.5° |
| C24 | C26 | H30 | 109.3° | 109.4° |
| C30 | C31 | C32 | 120.9° | 120.7° |
| C30 | C31 | C36 | 119.3° | 119.5° |
| C31 | C30 | H35 | 108.1° | 109.1° |
| C31 | C30 | H36 | 108.1° | 109.1° |
| C31 | C32 | C33 | 123.9° | 120.1° |
| C32 | C31 | C36 | 119.8° | 119.8° |
| C31 | C32 | H37 | 118.1° | 119.9° |
| C32 | C33 | C37 | 117.9° | 120.4° |
| C32 | C33 | C34 | 117.2° | 119.8° |
| C33 | C32 | H37 | 118.1° | 120.0° |
| C26 | C27 | C28 | 109.4° | 109.1° |
| C27 | C26 | O46 | 110.5° | 109.4° |
| C27 | C26 | H30 | 109.3° | 109.4° |
| C26 | C27 | H31 | 109.5° | 109.6° |
| C26 | C27 | H32 | 109.5° | 109.6° |
| C27 | C28 | C38 | 116.6° | 109.6° |
| C28 | C27 | H31 | 109.5° | 109.5° |
| C28 | C27 | H32 | 109.5° | 109.5° |
| C27 | C28 | H33 | 107.7° | 109.5° |
| C27 | C28 | H34 | 107.7° | 109.5° |
| C31 | C36 | C35 | 115.4° | 120.4° |
| C31 | C36 | H40 | 122.3° | 119.8° |
| C26 | O46 | C39 | 119.9° | 114.0° |
| O46 | C26 | H30 | 110.7° | 109.3° |
| O46 | C39 | H43 | 109.5° | 109.4° |
| O46 | C39 | H44 | 109.4° | 109.5° |
| O46 | C39 | H45 | 109.4° | 109.5° |
| C33 | C37 | C38 | 122.2° | 120.8° |
| C37 | C33 | C34 | 124.7° | 119.8° |
| C33 | C37 | H41 | 118.9° | 119.8° |
| C37 | C38 | C28 | 127.0° | 119.5° |
| C38 | C37 | H41 | 118.9° | 119.4° |
| C37 | C38 | H42 | 116.5° | 120.6° |
| C33 | C34 | C35 | 119.5° | 119.8° |
| C33 | C34 | H38 | 120.2° | 120.1° |
| C38 | C28 | H33 | 107.7° | 109.5° |
| C38 | C28 | H34 | 107.7° | 109.4° |
| C28 | C38 | H42 | 116.5° | 119.9° |
| C36 | C35 | C34 | 124.0° | 120.0° |
| C36 | C35 | H39 | 118.0° | 120.0° |
| C35 | C36 | H40 | 122.3° | 119.8° |
| C35 | C34 | H38 | 120.2° | 120.0° |
| C34 | C35 | H39 | 118.0° | 120.0° |
| H2 | C5 | H3 | 109.5° | 108.9° |
| H4 | C7 | H5 | 109.5° | 109.6° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H16 | C6 | H17 | 109.5° | 109.2° |
| H18 | C21 | H19 | 109.4° | 109.5° |
| H18 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H23 | C22 | H25 | 109.5° | 109.4° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H27 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.0° |
| H43 | C39 | H44 | 109.5° | 109.4° |
| H43 | C39 | H45 | 109.5° | 109.5° |
| H44 | C39 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C9 | N1 | C7 | 0.0° | 171.4° |
| O41 | C9 | N1 | C10 | 176.4° | 179.9° |
| O41 | C9 | C10 | C11 | 84.4° | 82.4° |
| O41 | C9 | N1 | N2 | 179.6° | 7.3° |
| O41 | C9 | C10 | N3 | 34.9° | 37.4° |
| O41 | C9 | C10 | H7 | 157.4° | 157.1° |
| C7 | C6 | C5 | H16 | 120.2° | 120.3° |
| C7 | C6 | C5 | H17 | 120.2° | 120.4° |
| C6 | C7 | N1 | H4 | 119.4° | 119.8° |
| C6 | C7 | N1 | H5 | 119.4° | 119.9° |
| C6 | C7 | N1 | C9 | 119.2° | 157.8° |
| C6 | C7 | N1 | N2 | 60.5° | 21.0° |
| C7 | C6 | C5 | C8 | 55.9° | 30.8° |
| C7 | C6 | C5 | H2 | 175.8° | 151.5° |
| C7 | C6 | C5 | H3 | 64.0° | 89.9° |
| C6 | C7 | H4 | H5 | 121.8° | 120.4° |
| C7 | C6 | H16 | H17 | 119.3° | 119.4° |
| C5 | C6 | C7 | N1 | 57.2° | 56.7° |
| C6 | C5 | C8 | H2 | 119.9° | 120.7° |
| C6 | C5 | C8 | H3 | 119.9° | 120.7° |
| C6 | C5 | C8 | N2 | 53.5° | 28.1° |
| C6 | C5 | C8 | C29 | 169.2° | 148.7° |
| C6 | C5 | H2 | H3 | 120.3° | 118.6° |
| C5 | C6 | C7 | H4 | 62.2° | 63.1° |
| C5 | C6 | C7 | H5 | 176.6° | 176.6° |
| C6 | C5 | C8 | H9 | 69.5° | 91.5° |
| C5 | C6 | H16 | H17 | 119.4° | 119.3° |
| C7 | N1 | C9 | N2 | 179.7° | 178.7° |
| C7 | N1 | C9 | C10 | 176.5° | 8.7° |
| C7 | N1 | N2 | C8 | 61.5° | 40.0° |
| C7 | N1 | N2 | H1 | 58.8° | 83.1° |
| N1 | C7 | H4 | H5 | 121.8° | 120.4° |
| N1 | C7 | C6 | H16 | 63.0° | 63.6° |
| N1 | C7 | C6 | H17 | 177.4° | 177.0° |
| N1 | C9 | C10 | C11 | 91.9° | 97.7° |
| N1 | C9 | C10 | N3 | 148.8° | 142.5° |
| C9 | N1 | N2 | C8 | 118.2° | 141.2° |
| C9 | N1 | N2 | H1 | 121.5° | 95.6° |
| C9 | N1 | C7 | H4 | 121.4° | 82.4° |
| C9 | N1 | C7 | H5 | 0.2° | 37.9° |
| N1 | C9 | C10 | H7 | 26.2° | 22.8° |
| C9 | C10 | C11 | N3 | 119.5° | 119.2° |
| C9 | C10 | C11 | H7 | 118.2° | 120.4° |
| C9 | C10 | C11 | C12 | 165.1° | 175.9° |
| C10 | C9 | N1 | N2 | 3.2° | 172.5° |
| C9 | C10 | N3 | H7 | 121.8° | 119.7° |
| C9 | C10 | N3 | C18 | 92.8° | 90.2° |
| C9 | C10 | C11 | H11 | 74.2° | 64.2° |
| C9 | C10 | C11 | H12 | 44.4° | 55.8° |
| C9 | C10 | N3 | H21 | 87.2° | 89.8° |
| C21 | C20 | C22 | C19 | 122.6° | 120.0° |
| C21 | C20 | C22 | H15 | 117.4° | 120.0° |
| C21 | C20 | C19 | H15 | 118.0° | 120.0° |
| C21 | C20 | C19 | C18 | 57.3° | 179.8° |
| C21 | C20 | C19 | N4 | 179.5° | 60.9° |
| C21 | C20 | C19 | H14 | 60.7° | 59.7° |
| C20 | C21 | H18 | H19 | 120.0° | 120.0° |
| C20 | C21 | H18 | H20 | 120.0° | 120.0° |
| C20 | C21 | H19 | H20 | 120.0° | 120.0° |
| C21 | C20 | C22 | H23 | 180.0° | 151.2° |
| C21 | C20 | C22 | H24 | 60.0° | 31.1° |
| C21 | C20 | C22 | H25 | 60.0° | 88.8° |
| C10 | C11 | C12 | H11 | 120.7° | 120.0° |
| C10 | C11 | C12 | H12 | 120.7° | 120.0° |
| C11 | C10 | N3 | H7 | 121.5° | 120.5° |
| C11 | C10 | N3 | C18 | 150.4° | 150.1° |
| C10 | C11 | C12 | C17 | 71.6° | 90.0° |
| C10 | C11 | C12 | C13 | 109.3° | 90.3° |
| C10 | C11 | H11 | H12 | 117.7° | 120.0° |
| C11 | C10 | N3 | H21 | 29.6° | 30.0° |
| C12 | C11 | C10 | N3 | 75.4° | 65.0° |
| C11 | C12 | C17 | C13 | 179.0° | 179.7° |
| C11 | C12 | C17 | C16 | 178.1° | 179.9° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C12 | C11 | C10 | H7 | 46.9° | 55.4° |
| C11 | C12 | C17 | H10 | 1.9° | 0.0° |
| C12 | C11 | H11 | H12 | 117.7° | 120.1° |
| C11 | C12 | C13 | H13 | 1.5° | 0.0° |
| N1 | N2 | C8 | C5 | 55.3° | 66.1° |
| N1 | N2 | C8 | H1 | 120.3° | 123.2° |
| N1 | N2 | C8 | C29 | 173.4° | 172.6° |
| N2 | N1 | C7 | H4 | 58.9° | 98.8° |
| N2 | N1 | C7 | H5 | 179.9° | 140.9° |
| N1 | N2 | C8 | H9 | 67.2° | 54.0° |
| C5 | C8 | N2 | C29 | 118.1° | 121.4° |
| C5 | C8 | N2 | H9 | 122.5° | 120.1° |
| C5 | C8 | C29 | H9 | 121.1° | 120.6° |
| C5 | C8 | C29 | O47 | 116.8° | 144.7° |
| C5 | C8 | C29 | O45 | 62.1° | 35.3° |
| C5 | C8 | N2 | H1 | 65.0° | 57.2° |
| C8 | C5 | H2 | H3 | 120.3° | 118.7° |
| C8 | C5 | C6 | H16 | 64.3° | 89.6° |
| C8 | C5 | C6 | H17 | 176.1° | 151.1° |
| C10 | N3 | C18 | H21 | 180.0° | 179.9° |
| C10 | N3 | C18 | C19 | 175.9° | 178.5° |
| C10 | N3 | C18 | O43 | 0.3° | 1.5° |
| N3 | C10 | C11 | H11 | 45.4° | 55.0° |
| N3 | C10 | C11 | H12 | 163.9° | 175.0° |
| N3 | C18 | C19 | C20 | 123.4° | 34.0° |
| N3 | C18 | C19 | O43 | 176.4° | 180.0° |
| N3 | C18 | C19 | N4 | 111.7° | 153.7° |
| C18 | N3 | C10 | H7 | 28.9° | 29.5° |
| N3 | C18 | C19 | H14 | 5.2° | 86.5° |
| C12 | C17 | C16 | H10 | 180.0° | 179.9° |
| C17 | C12 | C13 | C14 | 0.6° | 0.3° |
| C12 | C17 | C16 | C15 | 3.2° | 0.1° |
| C12 | C17 | C16 | H6 | 176.8° | 180.0° |
| C17 | C12 | C11 | H11 | 49.1° | 30.0° |
| C17 | C12 | C11 | H12 | 167.6° | 150.0° |
| C17 | C12 | C13 | H13 | 179.4° | 179.7° |
| C13 | C12 | C17 | C16 | 1.0° | 0.2° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.4° | 0.0° |
| C12 | C13 | C14 | O42 | 179.7° | 180.0° |
| C13 | C12 | C17 | H10 | 179.1° | 179.7° |
| C13 | C12 | C11 | H11 | 130.0° | 149.7° |
| C13 | C12 | C11 | H12 | 11.4° | 29.7° |
| N2 | C8 | C29 | H9 | 119.7° | 118.8° |
| N2 | C8 | C29 | O47 | 124.0° | 94.7° |
| N2 | C8 | C29 | O45 | 57.0° | 85.3° |
| N2 | C8 | C5 | H2 | 173.4° | 92.6° |
| N2 | C8 | C5 | H3 | 66.4° | 148.8° |
| C8 | C29 | O47 | O45 | 179.0° | 180.0° |
| C8 | C29 | O47 | C30 | 179.7° | 176.5° |
| C29 | C8 | N2 | H1 | 53.1° | 64.2° |
| C29 | C8 | C5 | H2 | 70.9° | 28.0° |
| C29 | C8 | C5 | H3 | 49.3° | 90.7° |
| C22 | C20 | C19 | H15 | 119.9° | 120.0° |
| C22 | C20 | C19 | C18 | 179.4° | 59.8° |
| C22 | C20 | C19 | N4 | 57.4° | 59.1° |
| C22 | C20 | C19 | H14 | 61.4° | 179.7° |
| C22 | C20 | C21 | H18 | 180.0° | 77.1° |
| C22 | C20 | C21 | H19 | 60.0° | 42.9° |
| C22 | C20 | C21 | H20 | 60.0° | 162.9° |
| C20 | C22 | H23 | H24 | 120.0° | 120.1° |
| C20 | C22 | H23 | H25 | 120.0° | 119.9° |
| C20 | C22 | H24 | H25 | 120.0° | 120.0° |
| C17 | C16 | C15 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 4.8° | 0.4° |
| C17 | C16 | C15 | H8 | 175.2° | 180.0° |
| C20 | C19 | C18 | N4 | 124.9° | 119.7° |
| C20 | C19 | C18 | H14 | 118.2° | 120.5° |
| C20 | C19 | N4 | H14 | 118.5° | 120.6° |
| C20 | C19 | C18 | O43 | 60.2° | 146.1° |
| C20 | C19 | N4 | C23 | 141.8° | 4.9° |
| C19 | C20 | C21 | H18 | 55.5° | 42.9° |
| C19 | C20 | C21 | H19 | 64.5° | 162.9° |
| C19 | C20 | C21 | H20 | 175.5° | 77.1° |
| C20 | C19 | N4 | H22 | 38.2° | 175.1° |
| C19 | C20 | C22 | H23 | 57.3° | 88.8° |
| C19 | C20 | C22 | H24 | 177.4° | 151.1° |
| C19 | C20 | C22 | H25 | 62.7° | 31.2° |
| C18 | C19 | N4 | H14 | 116.3° | 119.7° |
| C18 | C19 | N4 | C23 | 92.9° | 124.6° |
| C18 | C19 | C20 | H15 | 60.7° | 60.2° |
| C19 | C18 | N3 | H21 | 4.1° | 1.4° |
| C18 | C19 | N4 | H22 | 87.1° | 55.4° |
| C19 | N4 | C23 | O44 | 1.6° | 3.4° |
| N4 | C19 | C18 | O43 | 64.7° | 26.3° |
| C19 | N4 | C23 | H22 | 180.0° | 180.0° |
| C19 | N4 | C23 | C24 | 178.1° | 176.6° |
| N4 | C19 | C20 | H15 | 62.5° | 179.1° |
| O44 | C23 | N4 | C24 | 176.5° | 180.0° |
| O44 | C23 | C24 | C25 | 99.5° | 78.1° |
| O44 | C23 | C24 | C26 | 135.0° | 41.9° |
| O44 | C23 | N4 | H22 | 178.4° | 176.6° |
| O44 | C23 | C24 | H26 | 16.7° | 161.7° |
| O43 | C18 | C19 | H14 | 178.4° | 93.5° |
| O43 | C18 | N3 | H21 | 179.7° | 178.6° |
| C13 | C14 | C15 | C16 | 4.4° | 0.4° |
| C13 | C14 | C15 | O42 | 177.4° | 180.0° |
| C13 | C14 | C15 | H8 | 175.6° | 180.0° |
| C13 | C14 | O42 | H46 | 180.0° | 90.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.6° |
| C16 | C15 | C14 | O42 | 178.1° | 179.7° |
| C15 | C16 | C17 | H10 | 176.8° | 179.9° |
| C14 | C15 | C16 | H6 | 175.2° | 179.7° |
| C15 | C14 | C13 | H13 | 177.6° | 180.0° |
| C15 | C14 | O42 | H46 | 2.5° | 89.9° |
| O42 | C14 | C15 | H8 | 1.8° | 0.1° |
| O42 | C14 | C13 | H13 | 0.2° | 0.0° |
| C29 | O47 | C30 | C31 | 78.9° | 157.8° |
| O47 | C29 | C8 | H9 | 4.3° | 24.1° |
| C29 | O47 | C30 | H35 | 160.3° | 81.7° |
| C29 | O47 | C30 | H36 | 42.0° | 37.4° |
| O45 | C29 | O47 | C30 | 1.3° | 3.5° |
| O45 | C29 | C8 | H9 | 176.7° | 155.9° |
| N4 | C23 | C24 | C25 | 84.0° | 101.9° |
| N4 | C23 | C24 | C26 | 41.4° | 138.1° |
| C23 | N4 | C19 | H14 | 23.4° | 115.7° |
| N4 | C23 | C24 | H26 | 159.8° | 18.3° |
| C23 | C24 | C25 | C26 | 124.5° | 119.7° |
| C23 | C24 | C25 | H26 | 116.2° | 120.2° |
| C23 | C24 | C26 | H26 | 118.4° | 119.9° |
| C23 | C24 | C26 | C27 | 53.1° | 136.3° |
| C23 | C24 | C26 | O46 | 67.0° | 16.1° |
| C24 | C23 | N4 | H22 | 1.9° | 3.4° |
| 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 | 172.0° | 103.6° |
| O47 | C30 | C31 | H35 | 120.8° | 120.5° |
| O47 | C30 | C31 | H36 | 120.8° | 120.4° |
| O47 | C30 | C31 | C32 | 20.8° | 42.3° |
| O47 | C30 | C31 | C36 | 158.1° | 138.4° |
| O47 | C30 | H35 | H36 | 117.5° | 119.2° |
| C25 | C24 | C26 | H26 | 119.4° | 120.1° |
| C25 | C24 | C26 | C27 | 175.3° | 103.7° |
| C25 | C24 | C26 | O46 | 55.2° | 136.1° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H29 | 120.0° | 120.1° |
| C25 | C24 | C26 | H30 | 65.7° | 16.4° |
| C24 | C26 | C27 | O46 | 119.0° | 120.2° |
| C24 | C26 | C27 | H30 | 119.0° | 120.1° |
| C24 | C26 | C27 | C28 | 127.8° | 178.4° |
| C24 | C26 | O46 | H30 | 120.1° | 119.8° |
| C24 | C26 | O46 | C39 | 165.3° | 129.1° |
| C26 | C24 | C25 | H27 | 55.5° | 179.8° |
| C26 | C24 | C25 | H28 | 64.5° | 60.3° |
| C26 | C24 | C25 | H29 | 175.5° | 59.7° |
| C24 | C26 | C27 | H31 | 7.9° | 61.7° |
| C24 | C26 | C27 | H32 | 112.2° | 58.6° |
| C30 | C31 | C32 | C36 | 178.8° | 179.3° |
| C30 | C31 | C32 | C33 | 178.1° | 179.7° |
| C30 | C31 | C36 | C35 | 179.8° | 179.6° |
| C31 | C30 | H35 | H36 | 117.5° | 119.0° |
| C30 | C31 | C32 | H37 | 2.0° | 0.2° |
| C30 | C31 | C36 | H40 | 0.2° | 0.4° |
| C31 | C32 | C33 | H37 | 180.0° | 180.0° |
| C31 | C32 | C33 | C37 | 179.7° | 179.5° |
| C31 | C32 | C33 | C34 | 3.7° | 0.3° |
| C32 | C31 | C36 | C35 | 1.0° | 1.1° |
| C32 | C31 | C30 | H35 | 100.1° | 78.3° |
| C32 | C31 | C30 | H36 | 141.6° | 162.7° |
| C32 | C31 | C36 | H40 | 179.1° | 179.0° |
| C33 | C32 | C31 | C36 | 3.1° | 1.0° |
| C32 | C33 | C37 | C34 | 175.6° | 179.8° |
| C32 | C33 | C37 | C38 | 179.0° | 4.6° |
| C32 | C33 | C34 | C35 | 2.3° | 0.2° |
| C32 | C33 | C34 | H38 | 177.7° | 179.9° |
| C32 | C33 | C37 | H41 | 1.0° | 174.6° |
| C26 | C27 | C28 | H31 | 120.0° | 119.9° |
| C26 | C27 | C28 | H32 | 120.0° | 119.9° |
| C27 | C26 | O46 | H30 | 121.2° | 119.7° |
| C27 | C26 | O46 | C39 | 76.0° | 110.5° |
| C26 | C27 | C28 | C38 | 152.3° | 106.2° |
| C27 | C26 | C24 | H26 | 65.3° | 16.4° |
| C26 | C27 | H31 | H32 | 120.0° | 120.2° |
| C26 | C27 | C28 | H33 | 31.3° | 13.8° |
| C26 | C27 | C28 | H34 | 86.6° | 133.8° |
| C28 | C27 | C26 | O46 | 113.2° | 58.3° |
| C27 | C28 | C38 | C37 | 44.9° | 132.3° |
| C27 | C28 | C38 | H33 | 121.0° | 120.0° |
| C27 | C28 | C38 | H34 | 121.0° | 120.0° |
| C28 | C27 | C26 | H30 | 8.9° | 61.4° |
| C28 | C27 | H31 | H32 | 120.0° | 120.1° |
| C27 | C28 | H33 | H34 | 116.8° | 120.0° |
| C27 | C28 | C38 | H42 | 135.1° | 46.2° |
| C31 | C36 | C35 | H40 | 180.0° | 180.0° |
| C31 | C36 | C35 | C34 | 0.3° | 0.6° |
| C36 | C31 | C30 | H35 | 81.1° | 101.0° |
| C36 | C31 | C30 | H36 | 37.3° | 18.0° |
| C36 | C31 | C32 | H37 | 176.8° | 179.1° |
| C31 | C36 | C35 | H39 | 179.7° | 179.4° |
| O46 | C26 | C24 | H26 | 174.6° | 103.8° |
| O46 | C26 | C27 | H31 | 126.9° | 178.2° |
| O46 | C26 | C27 | H32 | 6.9° | 61.6° |
| C26 | O46 | C39 | H43 | 180.0° | 170.0° |
| C26 | O46 | C39 | H44 | 60.0° | 50.1° |
| C26 | O46 | C39 | H45 | 60.0° | 70.0° |
| C39 | O46 | C26 | H30 | 45.2° | 9.3° |
| O46 | C39 | H43 | H44 | 120.0° | 120.0° |
| O46 | C39 | H43 | H45 | 120.0° | 120.0° |
| O46 | C39 | H44 | H45 | 120.0° | 120.1° |
| C33 | C37 | C38 | H41 | 180.0° | 179.2° |
| C33 | C37 | C38 | C28 | 176.4° | 179.5° |
| C37 | C33 | C34 | C35 | 177.9° | 180.0° |
| C37 | C33 | C32 | H37 | 0.3° | 0.5° |
| C37 | C33 | C34 | H38 | 2.1° | 0.1° |
| C33 | C37 | C38 | H42 | 3.7° | 2.0° |
| C38 | C37 | C33 | C34 | 5.4° | 175.1° |
| C37 | C38 | C28 | H42 | 180.0° | 178.5° |
| C37 | C38 | C28 | H33 | 165.9° | 107.6° |
| C37 | C38 | C28 | H34 | 76.2° | 12.3° |
| C33 | C34 | C35 | C36 | 0.4° | 0.0° |
| C33 | C34 | C35 | H38 | 180.0° | 179.9° |
| C34 | C33 | C32 | H37 | 176.2° | 179.7° |
| C33 | C34 | C35 | H39 | 179.6° | 179.9° |
| C34 | C33 | C37 | H41 | 174.6° | 5.7° |
| C38 | C28 | C27 | H31 | 87.7° | 133.8° |
| C38 | C28 | C27 | H32 | 32.3° | 13.7° |
| C38 | C28 | H33 | H34 | 116.8° | 119.9° |
| C28 | C38 | C37 | H41 | 3.6° | 0.3° |
| C36 | C35 | C34 | H39 | 180.0° | 180.0° |
| C36 | C35 | C34 | H38 | 179.7° | 179.9° |
| C34 | C35 | C36 | H40 | 179.7° | 179.4° |
| H1 | N2 | C8 | H9 | 172.4° | 177.3° |
| H2 | C5 | C8 | H9 | 50.3° | 147.8° |
| H2 | C5 | C6 | H16 | 55.6° | 31.1° |
| H2 | C5 | C6 | H17 | 64.0° | 88.2° |
| H3 | C5 | C8 | H9 | 170.6° | 29.2° |
| H3 | C5 | C6 | H16 | 175.8° | 149.7° |
| H3 | C5 | C6 | H17 | 56.2° | 30.4° |
| H4 | C7 | C6 | H16 | 177.6° | 176.6° |
| H4 | C7 | C6 | H17 | 58.0° | 57.3° |
| H5 | C7 | C6 | H16 | 56.4° | 56.2° |
| H5 | C7 | C6 | H17 | 63.2° | 63.1° |
| H6 | C16 | C15 | H8 | 4.8° | 0.1° |
| H6 | C16 | C17 | H10 | 3.2° | 0.1° |
| H7 | C10 | C11 | H11 | 167.7° | 175.4° |
| H7 | C10 | C11 | H12 | 73.8° | 64.6° |
| H7 | C10 | N3 | H21 | 151.1° | 150.5° |
| H14 | C19 | C20 | H15 | 178.7° | 60.3° |
| H14 | C19 | N4 | H22 | 156.6° | 64.3° |
| H15 | C20 | C21 | H18 | 62.6° | 162.9° |
| H15 | C20 | C21 | H19 | 177.4° | 77.1° |
| H15 | C20 | C21 | H20 | 57.4° | 42.9° |
| H15 | C20 | C22 | H23 | 62.6° | 31.2° |
| H15 | C20 | C22 | H24 | 57.4° | 88.9° |
| H15 | C20 | C22 | H25 | 177.4° | 151.2° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H23 | C22 | H24 | H25 | 120.0° | 120.0° |
| H26 | C24 | C25 | H27 | 63.9° | 60.1° |
| H26 | C24 | C25 | H28 | 176.1° | 59.8° |
| H26 | C24 | C25 | H29 | 56.1° | 179.8° |
| H26 | C24 | C26 | H30 | 53.7° | 136.5° |
| H27 | C25 | H28 | H29 | 120.0° | 120.0° |
| H30 | C26 | C27 | H31 | 111.1° | 58.5° |
| H30 | C26 | C27 | H32 | 128.9° | 178.7° |
| H31 | C27 | C28 | H33 | 151.3° | 106.1° |
| H31 | C27 | C28 | H34 | 33.4° | 13.8° |
| H32 | C27 | C28 | H33 | 88.7° | 133.7° |
| H32 | C27 | C28 | H34 | 153.4° | 106.3° |
| H33 | C28 | C38 | H42 | 14.1° | 73.9° |
| H34 | C28 | C38 | H42 | 103.9° | 166.2° |
| H38 | C34 | C35 | H39 | 0.3° | 0.0° |
| H39 | C35 | C36 | H40 | 0.3° | 0.5° |
| H41 | C37 | C38 | H42 | 176.4° | 178.8° |
| H43 | C39 | H44 | H45 | 120.0° | 120.0° |
