7MM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C30 | sing | 1.47Å | 1.48Å | |
| N4 | C25 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| O2 | C20 | doub | 1.21Å | 1.22Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C19 | sing | 1.47Å | 1.47Å | |
| N3 | C31 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C31 | C18 | sing | 1.54Å | 1.54Å | |
| C18 | S | sing | 1.81Å | 1.79Å | |
| O4 | S | doub | 1.42Å | 1.44Å | |
| S | C17 | sing | 1.76Å | 1.77Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| C32 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.40Å | 1.38Å | |
| C13 | N2 | sing | 1.48Å | 1.47Å | |
| C13 | C12 | sing | 1.54Å | 1.56Å | |
| N2 | C34 | sing | 1.48Å | 1.47Å | |
| C12 | C34 | sing | 1.54Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C6 | O | sing | 1.45Å | 1.45Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| O | C5 | sing | 1.35Å | 1.34Å | |
| C35 | N1 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| C5 | O1 | doub | 1.21Å | 1.21Å | |
| C36 | C8 | sing | 1.53Å | 1.52Å | |
| N | C4 | sing | 1.46Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.62Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | C | sing | 1.54Å | 1.53Å | |
| C3 | C2 | sing | 1.55Å | 1.51Å | |
| C | C7 | sing | 1.53Å | 1.61Å | |
| C | C1 | sing | 1.54Å | 1.54Å | |
| C38 | N5 | sing | 1.47Å | 1.48Å | |
| C38 | C39 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | sing | 1.55Å | 1.50Å | |
| C7 | C37 | sing | 1.53Å | 1.56Å | |
| C7 | C41 | sing | 1.51Å | 1.54Å | |
| C37 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C40 | sing | 1.47Å | 1.48Å | |
| C39 | C40 | sing | 1.54Å | 1.53Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| C45 | F | sing | 1.35Å | 1.36Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.08Å | 1.08Å | |
| C44 | H67 | sing | 1.08Å | 1.08Å | |
| C46 | H68 | sing | 1.08Å | 1.08Å | |
| C43 | H66 | sing | 1.08Å | 1.08Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.08Å | 1.08Å | |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 111.1° | 109.3° |
| C27 | C28 | C29 | 110.8° | 109.1° |
| C27 | C28 | H42 | 109.1° | 109.5° |
| C27 | C28 | H41 | 109.1° | 109.6° |
| C28 | C27 | H40 | 109.1° | 109.5° |
| C28 | C27 | H39 | 109.0° | 109.5° |
| C27 | C26 | N4 | 112.1° | 109.5° |
| C26 | C27 | H40 | 109.1° | 109.5° |
| C26 | C27 | H39 | 109.1° | 109.5° |
| C27 | C26 | H38 | 108.8° | 109.5° |
| C27 | C26 | H37 | 108.8° | 109.4° |
| C28 | C29 | C30 | 111.4° | 109.3° |
| C29 | C28 | H42 | 109.2° | 109.5° |
| C29 | C28 | H41 | 109.2° | 109.5° |
| C28 | C29 | H44 | 109.0° | 109.5° |
| C28 | C29 | H43 | 109.0° | 109.4° |
| C26 | N4 | C30 | 109.2° | 111.2° |
| C26 | N4 | C25 | 109.0° | 111.0° |
| N4 | C26 | H38 | 108.8° | 109.5° |
| N4 | C26 | H37 | 108.8° | 109.5° |
| C30 | N4 | C25 | 111.9° | 111.0° |
| N4 | C30 | C29 | 113.3° | 109.6° |
| N4 | C30 | H46 | 108.5° | 109.4° |
| N4 | C30 | H45 | 108.5° | 109.5° |
| N4 | C25 | C22 | 116.0° | 109.4° |
| N4 | C25 | H36 | 107.8° | 109.4° |
| N4 | C25 | H35 | 107.8° | 109.5° |
| C29 | C30 | H46 | 108.5° | 109.4° |
| C29 | C30 | H45 | 108.5° | 109.5° |
| C30 | C29 | H44 | 109.0° | 109.5° |
| C30 | C29 | H43 | 109.0° | 109.5° |
| C25 | C22 | C21 | 113.4° | 109.5° |
| C25 | C22 | H30 | 108.5° | 109.5° |
| C25 | C22 | H29 | 108.5° | 109.5° |
| C22 | C25 | H36 | 107.8° | 109.5° |
| C22 | C25 | H35 | 107.8° | 109.4° |
| C22 | C21 | C20 | 115.1° | 109.5° |
| C22 | C21 | H28 | 108.1° | 109.4° |
| C22 | C21 | H27 | 108.1° | 109.5° |
| C21 | C22 | H30 | 108.5° | 109.5° |
| C21 | C22 | H29 | 108.5° | 109.4° |
| O2 | C20 | C21 | 121.7° | 120.0° |
| O2 | C20 | N3 | 121.3° | 120.0° |
| C21 | C20 | N3 | 117.0° | 120.0° |
| C20 | C21 | H28 | 108.1° | 109.5° |
| C20 | C21 | H27 | 108.1° | 109.5° |
| C20 | N3 | C19 | 130.4° | 136.1° |
| C20 | N3 | C31 | 131.2° | 136.0° |
| C19 | N3 | C31 | 94.6° | 87.9° |
| N3 | C19 | C18 | 87.8° | 88.0° |
| N3 | C19 | H26 | 114.6° | 113.5° |
| N3 | C19 | H25 | 114.6° | 113.5° |
| N3 | C31 | C18 | 88.3° | 88.0° |
| N3 | C31 | H48 | 114.5° | 113.5° |
| N3 | C31 | H47 | 114.5° | 113.4° |
| C19 | C18 | C31 | 88.8° | 83.4° |
| C19 | C18 | S | 120.3° | 114.2° |
| C19 | C18 | H24 | 110.6° | 114.4° |
| C18 | C19 | H26 | 114.6° | 113.4° |
| C18 | C19 | H25 | 114.6° | 113.4° |
| C31 | C18 | S | 117.6° | 114.2° |
| C31 | C18 | H24 | 110.8° | 114.2° |
| C18 | C31 | H48 | 114.5° | 113.5° |
| C18 | C31 | H47 | 114.5° | 113.5° |
| C18 | S | O4 | 108.8° | 110.5° |
| C18 | S | C17 | 103.6° | 104.4° |
| C18 | S | O3 | 108.6° | 110.5° |
| S | C18 | H24 | 107.7° | 113.3° |
| O4 | S | C17 | 108.4° | 104.3° |
| O4 | S | O3 | 118.7° | 121.1° |
| C17 | S | O3 | 107.7° | 104.2° |
| S | C17 | C32 | 119.8° | 119.9° |
| S | C17 | C16 | 119.3° | 119.9° |
| C17 | C32 | C33 | 119.4° | 120.1° |
| C32 | C17 | C16 | 120.9° | 120.2° |
| C17 | C32 | H49 | 120.3° | 119.9° |
| C32 | C33 | C14 | 120.5° | 119.9° |
| C32 | C33 | H50 | 119.7° | 120.0° |
| C33 | C32 | H49 | 120.3° | 120.0° |
| C17 | C16 | C15 | 119.5° | 120.0° |
| C17 | C16 | H23 | 120.3° | 120.0° |
| C33 | C14 | C15 | 118.8° | 119.8° |
| C33 | C14 | N2 | 120.9° | 120.1° |
| C14 | C33 | H50 | 119.8° | 120.0° |
| C16 | C15 | C14 | 120.8° | 119.9° |
| C15 | C16 | H23 | 120.2° | 119.9° |
| C16 | C15 | H22 | 119.6° | 120.0° |
| C15 | C14 | N2 | 120.3° | 120.1° |
| C14 | C15 | H22 | 119.6° | 120.0° |
| C14 | N2 | C13 | 130.7° | 111.0° |
| C14 | N2 | C34 | 130.0° | 111.0° |
| N2 | C13 | C12 | 88.7° | 86.2° |
| C13 | N2 | C34 | 94.6° | 90.8° |
| N2 | C13 | H21 | 114.4° | 113.8° |
| N2 | C13 | H20 | 114.4° | 113.7° |
| C13 | C12 | C34 | 88.0° | 86.4° |
| C13 | C12 | C11 | 115.6° | 113.8° |
| C13 | C12 | H19 | 112.2° | 113.8° |
| C12 | C13 | H21 | 114.4° | 113.8° |
| C12 | C13 | H20 | 114.4° | 113.7° |
| N2 | C34 | C12 | 88.7° | 86.2° |
| N2 | C34 | H51 | 114.4° | 113.7° |
| N2 | C34 | H52 | 114.4° | 113.8° |
| C34 | C12 | C11 | 113.7° | 113.7° |
| C34 | C12 | H19 | 112.2° | 113.7° |
| C12 | C34 | H51 | 114.4° | 113.8° |
| C12 | C34 | H52 | 114.4° | 113.8° |
| C12 | C11 | N1 | 110.1° | 109.5° |
| C11 | C12 | H19 | 112.8° | 112.9° |
| C12 | C11 | H17 | 109.3° | 109.5° |
| C12 | C11 | H18 | 109.3° | 109.5° |
| C6 | O | C5 | 115.8° | 117.0° |
| O | C6 | H9 | 109.5° | 109.5° |
| O | C6 | H10 | 109.5° | 109.5° |
| O | C6 | H11 | 109.5° | 109.5° |
| C11 | N1 | C35 | 111.4° | 111.0° |
| C11 | N1 | C10 | 108.6° | 111.0° |
| N1 | C11 | H17 | 109.3° | 109.5° |
| N1 | C11 | H18 | 109.3° | 109.4° |
| O | C5 | N | 110.4° | 120.0° |
| O | C5 | O1 | 124.4° | 120.0° |
| N1 | C35 | C36 | 111.5° | 109.5° |
| C35 | N1 | C10 | 109.6° | 111.2° |
| N1 | C35 | H53 | 109.0° | 109.5° |
| N1 | C35 | H54 | 109.0° | 109.5° |
| C35 | C36 | C8 | 109.7° | 109.3° |
| C36 | C35 | H53 | 109.0° | 109.4° |
| C36 | C35 | H54 | 109.0° | 109.5° |
| C35 | C36 | H55 | 109.5° | 109.5° |
| C35 | C36 | H56 | 109.4° | 109.5° |
| N1 | C10 | C9 | 111.3° | 109.5° |
| N1 | C10 | H15 | 109.0° | 109.5° |
| N1 | C10 | H16 | 109.0° | 109.5° |
| N | C5 | O1 | 125.2° | 120.0° |
| C5 | N | C4 | 123.5° | 120.0° |
| C5 | N | H8 | 118.3° | 120.0° |
| C36 | C8 | C9 | 107.2° | 109.1° |
| C36 | C8 | C7 | 117.5° | 109.6° |
| C8 | C36 | H55 | 109.4° | 109.5° |
| C8 | C36 | H56 | 109.4° | 109.5° |
| C36 | C8 | H12 | 104.5° | 109.5° |
| N | C4 | C3 | 111.2° | 110.0° |
| N | C4 | C | 114.3° | 109.9° |
| N | C4 | H1 | 108.7° | 110.1° |
| C4 | N | H8 | 118.2° | 120.0° |
| C10 | C9 | C8 | 109.1° | 109.3° |
| C9 | C10 | H15 | 109.0° | 109.4° |
| C9 | C10 | H16 | 109.0° | 109.5° |
| C10 | C9 | H14 | 109.6° | 109.5° |
| C10 | C9 | H13 | 109.5° | 109.5° |
| C9 | C8 | C7 | 117.9° | 109.5° |
| C9 | C8 | H12 | 104.5° | 109.5° |
| C8 | C9 | H14 | 109.6° | 109.4° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C7 | C | 109.5° | 109.5° |
| C8 | C7 | C37 | 107.9° | 109.5° |
| C8 | C7 | C41 | 110.5° | 109.5° |
| C7 | C8 | H12 | 103.5° | 109.6° |
| C3 | C4 | C | 106.9° | 106.6° |
| C4 | C3 | C2 | 105.8° | 104.3° |
| C3 | C4 | H1 | 107.7° | 110.1° |
| C4 | C3 | H6 | 110.4° | 110.5° |
| C4 | C3 | H7 | 110.4° | 110.5° |
| C4 | C | C7 | 123.7° | 110.0° |
| C4 | C | C1 | 101.5° | 106.6° |
| C4 | C | H | 104.9° | 110.1° |
| C | C4 | H1 | 107.8° | 110.1° |
| C3 | C2 | C1 | 104.8° | 102.7° |
| C2 | C3 | H6 | 110.4° | 110.4° |
| C2 | C3 | H7 | 110.4° | 110.5° |
| C3 | C2 | H4 | 110.6° | 110.8° |
| C3 | C2 | H5 | 110.6° | 110.8° |
| C7 | C | C1 | 116.0° | 110.0° |
| C | C7 | C37 | 107.4° | 109.5° |
| C | C7 | C41 | 108.0° | 109.5° |
| C7 | C | H | 104.2° | 110.0° |
| C | C1 | C2 | 103.7° | 104.3° |
| C | C1 | H2 | 110.9° | 110.5° |
| C | C1 | H3 | 110.9° | 110.5° |
| C1 | C | H | 104.8° | 110.0° |
| N5 | C38 | C39 | 88.1° | 88.0° |
| C38 | N5 | C37 | 120.5° | 111.0° |
| C38 | N5 | C40 | 92.4° | 87.8° |
| N5 | C38 | H60 | 114.5° | 113.4° |
| N5 | C38 | H59 | 114.5° | 113.5° |
| C38 | C39 | C40 | 88.4° | 83.5° |
| C38 | C39 | H62 | 114.5° | 114.2° |
| C38 | C39 | H61 | 114.4° | 114.4° |
| C39 | C38 | H60 | 114.5° | 113.4° |
| C39 | C38 | H59 | 114.5° | 113.5° |
| C2 | C1 | H2 | 110.9° | 110.5° |
| C2 | C1 | H3 | 110.9° | 110.5° |
| C1 | C2 | H4 | 110.6° | 110.7° |
| C1 | C2 | H5 | 110.6° | 110.9° |
| C37 | C7 | C41 | 113.4° | 109.4° |
| C7 | C37 | N5 | 117.6° | 109.5° |
| C7 | C37 | H57 | 107.4° | 109.5° |
| C7 | C37 | H58 | 107.4° | 109.5° |
| C7 | C41 | C42 | 120.8° | 120.0° |
| C7 | C41 | C46 | 121.1° | 119.9° |
| C37 | N5 | C40 | 119.8° | 111.0° |
| N5 | C37 | H57 | 107.4° | 109.5° |
| N5 | C37 | H58 | 107.4° | 109.4° |
| N5 | C40 | C39 | 88.2° | 88.0° |
| N5 | C40 | H64 | 114.5° | 113.5° |
| N5 | C40 | H63 | 114.5° | 113.5° |
| C39 | C40 | H64 | 114.5° | 113.5° |
| C39 | C40 | H63 | 114.5° | 113.5° |
| C40 | C39 | H62 | 114.4° | 114.1° |
| C40 | C39 | H61 | 114.4° | 114.2° |
| C42 | C41 | C46 | 117.9° | 120.0° |
| C41 | C42 | C43 | 121.0° | 120.1° |
| C41 | C42 | H65 | 119.5° | 119.9° |
| C41 | C46 | C45 | 119.6° | 119.9° |
| C41 | C46 | H68 | 120.2° | 120.0° |
| C42 | C43 | C44 | 120.6° | 120.0° |
| C43 | C42 | H65 | 119.5° | 120.0° |
| C42 | C43 | H66 | 119.7° | 120.0° |
| C46 | C45 | C44 | 123.4° | 120.0° |
| C46 | C45 | F | 118.0° | 120.0° |
| C45 | C46 | H68 | 120.2° | 120.1° |
| C43 | C44 | C45 | 117.5° | 120.0° |
| C43 | C44 | H67 | 121.2° | 120.0° |
| C44 | C43 | H66 | 119.7° | 119.9° |
| C44 | C45 | F | 118.7° | 120.0° |
| C45 | C44 | H67 | 121.3° | 120.0° |
| H2 | C1 | H3 | 109.5° | 110.4° |
| H28 | C21 | H27 | 109.5° | 109.5° |
| H30 | C22 | H29 | 109.5° | 109.5° |
| H36 | C25 | H35 | 109.5° | 109.5° |
| H42 | C28 | H41 | 109.5° | 109.6° |
| H53 | C35 | H54 | 109.4° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.6° |
| H64 | C40 | H63 | 109.5° | 112.7° |
| H57 | C37 | H58 | 109.5° | 109.4° |
| H62 | C39 | H61 | 109.5° | 113.2° |
| H60 | C38 | H59 | 109.5° | 112.8° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 110.5° |
| H4 | C2 | H5 | 109.5° | 110.8° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H14 | C9 | H13 | 109.5° | 109.6° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H51 | C34 | H52 | 109.5° | 113.0° |
| H21 | C13 | H20 | 109.4° | 113.1° |
| H48 | C31 | H47 | 109.5° | 112.8° |
| H26 | C19 | H25 | 109.5° | 112.8° |
| H46 | C30 | H45 | 109.4° | 109.4° |
| H44 | C29 | H43 | 109.5° | 109.6° |
| H40 | C27 | H39 | 109.4° | 109.5° |
| H38 | C26 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H40 | 120.3° | 120.0° |
| C28 | C27 | C26 | H39 | 120.3° | 119.9° |
| C27 | C28 | C29 | H42 | 120.2° | 119.9° |
| C27 | C28 | C29 | H41 | 120.2° | 120.0° |
| C28 | C27 | C26 | N4 | 32.8° | 59.2° |
| C27 | C28 | C29 | C30 | 59.9° | 57.6° |
| C27 | C28 | H42 | H41 | 119.3° | 120.2° |
| C27 | C28 | C29 | H44 | 60.3° | 177.6° |
| C27 | C28 | C29 | H43 | 179.8° | 62.3° |
| C28 | C27 | H40 | H39 | 119.2° | 120.1° |
| C28 | C27 | C26 | H38 | 153.1° | 60.8° |
| C28 | C27 | C26 | H37 | 87.6° | 179.3° |
| C26 | C27 | C28 | C29 | 29.2° | 57.6° |
| C27 | C26 | N4 | H38 | 120.4° | 120.0° |
| C27 | C26 | N4 | H37 | 120.4° | 120.0° |
| C27 | C26 | N4 | C30 | 68.0° | 61.8° |
| C27 | C26 | N4 | C25 | 169.4° | 174.2° |
| C26 | C27 | C28 | H42 | 149.4° | 177.5° |
| C26 | C27 | C28 | H41 | 91.0° | 62.3° |
| C26 | C27 | H40 | H39 | 119.3° | 120.1° |
| C27 | C26 | H38 | H37 | 118.8° | 119.9° |
| C28 | C29 | C30 | N4 | 25.7° | 59.2° |
| C28 | C29 | C30 | H44 | 120.3° | 119.9° |
| C28 | C29 | C30 | H43 | 120.3° | 119.9° |
| C29 | C28 | H42 | H41 | 119.4° | 120.1° |
| C28 | C29 | C30 | H46 | 94.8° | 179.2° |
| C28 | C29 | C30 | H45 | 146.3° | 60.9° |
| C28 | C29 | H44 | H43 | 119.1° | 120.1° |
| C29 | C28 | C27 | H40 | 149.5° | 62.3° |
| C29 | C28 | C27 | H39 | 91.0° | 177.6° |
| C26 | N4 | C30 | C25 | 120.8° | 124.1° |
| C26 | N4 | C30 | C29 | 35.5° | 61.8° |
| C26 | N4 | C25 | C22 | 177.7° | 65.8° |
| C26 | N4 | C25 | H36 | 61.4° | 174.2° |
| C26 | N4 | C25 | H35 | 56.7° | 54.1° |
| C26 | N4 | C30 | H46 | 156.1° | 178.2° |
| C26 | N4 | C30 | H45 | 85.1° | 58.3° |
| N4 | C26 | C27 | H40 | 87.5° | 60.8° |
| N4 | C26 | C27 | H39 | 153.0° | 179.1° |
| N4 | C26 | H38 | H37 | 118.8° | 120.0° |
| N4 | C30 | C29 | H46 | 120.6° | 120.0° |
| N4 | C30 | C29 | H45 | 120.6° | 120.1° |
| C30 | N4 | C25 | C22 | 56.8° | 170.0° |
| C30 | N4 | C25 | H36 | 177.7° | 50.0° |
| C30 | N4 | C25 | H35 | 64.2° | 70.0° |
| N4 | C30 | H46 | H45 | 118.2° | 120.0° |
| N4 | C30 | C29 | H44 | 94.5° | 179.2° |
| N4 | C30 | C29 | H43 | 146.0° | 60.7° |
| C30 | N4 | C26 | H38 | 171.6° | 58.3° |
| C30 | N4 | C26 | H37 | 52.4° | 178.2° |
| C25 | N4 | C30 | C29 | 156.3° | 174.1° |
| N4 | C25 | C22 | H36 | 121.0° | 120.0° |
| N4 | C25 | C22 | H35 | 121.0° | 120.0° |
| N4 | C25 | C22 | C21 | 101.3° | 180.0° |
| N4 | C25 | C22 | H30 | 19.3° | 60.0° |
| N4 | C25 | C22 | H29 | 138.1° | 60.0° |
| N4 | C25 | H36 | H35 | 117.0° | 120.0° |
| C25 | N4 | C30 | H46 | 83.1° | 54.2° |
| C25 | N4 | C30 | H45 | 35.7° | 65.8° |
| C25 | N4 | C26 | H38 | 49.0° | 65.8° |
| C25 | N4 | C26 | H37 | 70.2° | 54.1° |
| C30 | C29 | C28 | H42 | 179.9° | 177.5° |
| C30 | C29 | C28 | H41 | 60.3° | 62.3° |
| C29 | C30 | H46 | H45 | 118.2° | 120.0° |
| C30 | C29 | H44 | H43 | 119.2° | 120.2° |
| C25 | C22 | C21 | H30 | 120.6° | 120.0° |
| C25 | C22 | C21 | H29 | 120.6° | 120.0° |
| C25 | C22 | C21 | C20 | 62.7° | 180.0° |
| C25 | C22 | C21 | H28 | 58.2° | 60.0° |
| C25 | C22 | C21 | H27 | 176.5° | 60.0° |
| C25 | C22 | H30 | H29 | 118.2° | 120.0° |
| C22 | C25 | H36 | H35 | 117.0° | 120.0° |
| C22 | C21 | C20 | O2 | 31.2° | 0.1° |
| C22 | C21 | C20 | H28 | 120.8° | 120.0° |
| C22 | C21 | C20 | H27 | 120.8° | 120.0° |
| C22 | C21 | C20 | N3 | 151.7° | 180.0° |
| C22 | C21 | H28 | H27 | 117.4° | 119.9° |
| C21 | C22 | H30 | H29 | 118.2° | 119.9° |
| C21 | C22 | C25 | H36 | 137.7° | 60.0° |
| C21 | C22 | C25 | H35 | 19.7° | 60.1° |
| O2 | C20 | C21 | N3 | 177.1° | 179.9° |
| O2 | C20 | N3 | C19 | 28.0° | 0.1° |
| O2 | C20 | N3 | C31 | 179.6° | 179.6° |
| O2 | C20 | C21 | H28 | 89.6° | 120.0° |
| O2 | C20 | C21 | H27 | 152.0° | 119.9° |
| C21 | C20 | N3 | C19 | 149.1° | 180.0° |
| C21 | C20 | N3 | C31 | 3.2° | 0.3° |
| C20 | C21 | H28 | H27 | 117.5° | 120.0° |
| C20 | C21 | C22 | H30 | 176.8° | 60.0° |
| C20 | C21 | C22 | H29 | 57.9° | 60.0° |
| C20 | N3 | C19 | C31 | 159.5° | 179.8° |
| C20 | N3 | C19 | C18 | 164.9° | 153.1° |
| C20 | N3 | C31 | C18 | 164.7° | 153.1° |
| N3 | C20 | C21 | H28 | 87.5° | 60.0° |
| N3 | C20 | C21 | H27 | 30.9° | 60.0° |
| C20 | N3 | C31 | H48 | 48.5° | 38.3° |
| C20 | N3 | C31 | H47 | 79.1° | 92.2° |
| C20 | N3 | C19 | H26 | 79.0° | 92.2° |
| C20 | N3 | C19 | H25 | 48.8° | 38.3° |
| N3 | C19 | C18 | H26 | 116.1° | 114.8° |
| N3 | C19 | C18 | H25 | 116.1° | 114.9° |
| C19 | N3 | C31 | C18 | 5.5° | 27.1° |
| N3 | C19 | C18 | S | 116.5° | 139.6° |
| N3 | C19 | C18 | H24 | 117.0° | 87.5° |
| C19 | N3 | C31 | H48 | 110.7° | 141.9° |
| C19 | N3 | C31 | H47 | 121.7° | 87.7° |
| N3 | C19 | H26 | H25 | 130.3° | 130.8° |
| N3 | C31 | C18 | H48 | 116.2° | 114.7° |
| N3 | C31 | C18 | H47 | 116.2° | 114.7° |
| N3 | C31 | C18 | S | 118.8° | 139.7° |
| N3 | C31 | C18 | H24 | 116.8° | 87.8° |
| N3 | C31 | H48 | H47 | 130.1° | 130.7° |
| C31 | N3 | C19 | H26 | 121.5° | 87.7° |
| C31 | N3 | C19 | H25 | 110.7° | 141.9° |
| C19 | C18 | C31 | S | 123.9° | 113.6° |
| C19 | C18 | C31 | H24 | 111.6° | 113.8° |
| C19 | C18 | S | H24 | 127.8° | 133.4° |
| C19 | C18 | S | O4 | 48.9° | 28.6° |
| C19 | C18 | S | C17 | 66.2° | 83.0° |
| C19 | C18 | S | O3 | 179.4° | 165.4° |
| C19 | C18 | C31 | H48 | 111.1° | 140.8° |
| C19 | C18 | C31 | H47 | 121.4° | 88.7° |
| C18 | C19 | H26 | H25 | 130.4° | 130.7° |
| C31 | C18 | S | H24 | 126.0° | 133.0° |
| C31 | C18 | S | O4 | 57.2° | 65.1° |
| C31 | C18 | S | C17 | 172.4° | 176.7° |
| C31 | C18 | S | O3 | 73.3° | 71.8° |
| C18 | C31 | H48 | H47 | 130.0° | 130.9° |
| C31 | C18 | C19 | H26 | 121.3° | 88.7° |
| C31 | C18 | C19 | H25 | 110.9° | 140.9° |
| C18 | S | O4 | C17 | 112.1° | 111.7° |
| C18 | S | O4 | O3 | 124.7° | 131.6° |
| C18 | S | C17 | O3 | 114.9° | 116.0° |
| C18 | S | C17 | C32 | 93.1° | 90.0° |
| C18 | S | C17 | C16 | 88.1° | 90.0° |
| S | C18 | C31 | H48 | 125.0° | 105.6° |
| S | C18 | C31 | H47 | 2.5° | 25.0° |
| S | C18 | C19 | H26 | 0.4° | 24.8° |
| S | C18 | C19 | H25 | 127.4° | 105.5° |
| O4 | S | C17 | O3 | 129.6° | 127.9° |
| O4 | S | C17 | C32 | 22.4° | 153.9° |
| O4 | S | C17 | C16 | 156.4° | 26.0° |
| O4 | S | C18 | H24 | 176.8° | 162.0° |
| S | C17 | C32 | C16 | 178.8° | 179.9° |
| S | C17 | C32 | C33 | 176.5° | 179.9° |
| S | C17 | C16 | C15 | 177.7° | 180.0° |
| C17 | S | C18 | H24 | 61.6° | 50.4° |
| S | C17 | C32 | H49 | 3.5° | 0.0° |
| S | C17 | C16 | H23 | 2.3° | 0.1° |
| O3 | S | C17 | C32 | 152.0° | 26.0° |
| O3 | S | C17 | C16 | 26.8° | 153.9° |
| O3 | S | C18 | H24 | 52.7° | 61.2° |
| C17 | C32 | C33 | H49 | 180.0° | 180.0° |
| C17 | C32 | C33 | C14 | 1.6° | 0.0° |
| C32 | C17 | C16 | C15 | 1.1° | 0.1° |
| C17 | C32 | C33 | H50 | 178.4° | 180.0° |
| C32 | C17 | C16 | H23 | 178.9° | 180.0° |
| C33 | C32 | C17 | C16 | 2.3° | 0.0° |
| C32 | C33 | C14 | H50 | 180.0° | 180.0° |
| C32 | C33 | C14 | C15 | 0.3° | 0.0° |
| C32 | C33 | C14 | N2 | 178.3° | 179.7° |
| C17 | C16 | C15 | H23 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.8° | 0.1° |
| C16 | C17 | C32 | H49 | 177.7° | 180.0° |
| C17 | C16 | C15 | H22 | 179.2° | 179.7° |
| C33 | C14 | C15 | C16 | 1.5° | 0.0° |
| C33 | C14 | C15 | N2 | 178.6° | 179.8° |
| C33 | C14 | N2 | C13 | 15.6° | 44.8° |
| C33 | C14 | N2 | C34 | 164.9° | 144.2° |
| C14 | C33 | C32 | H49 | 178.4° | 180.0° |
| C33 | C14 | C15 | H22 | 178.5° | 179.8° |
| C16 | C15 | C14 | H22 | 180.0° | 179.8° |
| C16 | C15 | C14 | N2 | 177.2° | 179.8° |
| C15 | C14 | N2 | C13 | 165.8° | 135.4° |
| C15 | C14 | N2 | C34 | 16.5° | 36.0° |
| C15 | C14 | C33 | H50 | 179.7° | 180.0° |
| C14 | C15 | C16 | H23 | 179.2° | 180.0° |
| C14 | N2 | C13 | C34 | 156.9° | 112.9° |
| C14 | N2 | C13 | C12 | 157.0° | 137.6° |
| C14 | N2 | C34 | C12 | 157.3° | 137.6° |
| C14 | N2 | C34 | H51 | 40.9° | 108.1° |
| C14 | N2 | C34 | H52 | 86.4° | 23.2° |
| C14 | N2 | C13 | H21 | 86.7° | 23.3° |
| C14 | N2 | C13 | H20 | 40.7° | 108.1° |
| N2 | C14 | C33 | H50 | 1.7° | 0.3° |
| N2 | C14 | C15 | H22 | 2.8° | 0.0° |
| N2 | C13 | C12 | H21 | 116.3° | 114.3° |
| N2 | C13 | C12 | H20 | 116.3° | 114.3° |
| N2 | C13 | C12 | C34 | 0.1° | 23.7° |
| N2 | C13 | C12 | C11 | 115.3° | 90.6° |
| N2 | C13 | C12 | H19 | 113.3° | 138.1° |
| C13 | N2 | C34 | H51 | 116.3° | 139.0° |
| C13 | N2 | C34 | H52 | 116.4° | 89.6° |
| N2 | C13 | H21 | H20 | 129.9° | 131.7° |
| C13 | C12 | C34 | C11 | 117.2° | 114.4° |
| C13 | C12 | C34 | H19 | 113.2° | 114.5° |
| C13 | C12 | C11 | H19 | 131.1° | 131.7° |
| C13 | C12 | C11 | N1 | 173.7° | 88.3° |
| C13 | C12 | C11 | H17 | 53.6° | 151.7° |
| C13 | C12 | C11 | H18 | 66.2° | 31.7° |
| C13 | C12 | C34 | H51 | 116.3° | 138.0° |
| C13 | C12 | C34 | H52 | 116.3° | 90.6° |
| C12 | C13 | H21 | H20 | 129.9° | 131.7° |
| N2 | C34 | C12 | H51 | 116.3° | 114.3° |
| N2 | C34 | C12 | H52 | 116.3° | 114.4° |
| N2 | C34 | C12 | C11 | 117.2° | 90.7° |
| N2 | C34 | C12 | H19 | 113.3° | 138.2° |
| N2 | C34 | H51 | H52 | 129.8° | 131.7° |
| C34 | N2 | C13 | H21 | 116.4° | 89.7° |
| C34 | N2 | C13 | H20 | 116.2° | 138.9° |
| C34 | C12 | C11 | H19 | 129.3° | 131.5° |
| C34 | C12 | C11 | N1 | 74.0° | 175.0° |
| C34 | C12 | C11 | H17 | 46.1° | 54.9° |
| C34 | C12 | C11 | H18 | 165.9° | 65.1° |
| C12 | C34 | H51 | H52 | 129.9° | 131.7° |
| C34 | C12 | C13 | H21 | 116.3° | 90.6° |
| C34 | C12 | C13 | H20 | 116.2° | 138.0° |
| C12 | C11 | N1 | H17 | 120.1° | 120.1° |
| C12 | C11 | N1 | H18 | 120.1° | 120.0° |
| C12 | C11 | N1 | C35 | 85.3° | 170.0° |
| C12 | C11 | N1 | C10 | 153.9° | 65.8° |
| C12 | C11 | H17 | H18 | 119.7° | 120.0° |
| C11 | C12 | C34 | H51 | 126.5° | 23.6° |
| C11 | C12 | C34 | H52 | 0.9° | 155.0° |
| C11 | C12 | C13 | H21 | 0.9° | 155.0° |
| C11 | C12 | C13 | H20 | 128.3° | 23.7° |
| C6 | O | C5 | N | 179.0° | 180.0° |
| C6 | O | C5 | O1 | 2.2° | 0.0° |
| O | C6 | H9 | H10 | 120.0° | 120.0° |
| O | C6 | H9 | H11 | 120.0° | 120.0° |
| O | C6 | H10 | H11 | 120.0° | 120.0° |
| C11 | N1 | C35 | C10 | 120.3° | 124.1° |
| C11 | N1 | C35 | C36 | 178.2° | 174.1° |
| C11 | N1 | C10 | C9 | 179.0° | 174.1° |
| N1 | C11 | C12 | H19 | 55.3° | 43.5° |
| C11 | N1 | C35 | H53 | 57.9° | 54.2° |
| C11 | N1 | C35 | H54 | 61.5° | 65.8° |
| C11 | N1 | C10 | H15 | 58.7° | 54.1° |
| C11 | N1 | C10 | H16 | 60.8° | 65.9° |
| N1 | C11 | H17 | H18 | 119.7° | 120.0° |
| O | C5 | N | O1 | 178.9° | 179.9° |
| O | C5 | N | C4 | 170.1° | 180.0° |
| O | C5 | N | H8 | 10.0° | 0.1° |
| C5 | O | C6 | H9 | 180.0° | 180.0° |
| C5 | O | C6 | H10 | 60.0° | 60.0° |
| C5 | O | C6 | H11 | 60.0° | 60.0° |
| N1 | C35 | C36 | H53 | 120.3° | 120.0° |
| N1 | C35 | C36 | H54 | 120.3° | 120.0° |
| N1 | C35 | C36 | C8 | 59.1° | 59.2° |
| C35 | N1 | C10 | C9 | 59.1° | 61.8° |
| N1 | C35 | H53 | H54 | 119.1° | 120.0° |
| N1 | C35 | C36 | H55 | 179.1° | 179.1° |
| N1 | C35 | C36 | H56 | 60.9° | 60.7° |
| C35 | N1 | C10 | H15 | 179.4° | 178.2° |
| C35 | N1 | C10 | H16 | 61.2° | 58.3° |
| C35 | N1 | C11 | H17 | 154.6° | 70.0° |
| C35 | N1 | C11 | H18 | 34.8° | 50.0° |
| C36 | C35 | N1 | C10 | 57.9° | 61.8° |
| C35 | C36 | C8 | H55 | 120.1° | 119.9° |
| C35 | C36 | C8 | H56 | 120.0° | 120.0° |
| C35 | C36 | C8 | C9 | 58.9° | 57.7° |
| C35 | C36 | C8 | C7 | 165.6° | 177.6° |
| C36 | C35 | H53 | H54 | 119.1° | 120.0° |
| C35 | C36 | H55 | H56 | 119.9° | 120.1° |
| C35 | C36 | C8 | H12 | 51.6° | 62.2° |
| N1 | C10 | C9 | H15 | 120.3° | 120.0° |
| N1 | C10 | C9 | H16 | 120.3° | 120.0° |
| N1 | C10 | C9 | C8 | 61.2° | 59.2° |
| C10 | N1 | C35 | H53 | 62.4° | 178.3° |
| C10 | N1 | C35 | H54 | 178.3° | 58.3° |
| N1 | C10 | H15 | H16 | 119.2° | 120.0° |
| N1 | C10 | C9 | H14 | 58.7° | 179.1° |
| N1 | C10 | C9 | H13 | 178.9° | 60.7° |
| C10 | N1 | C11 | H17 | 33.8° | 54.3° |
| C10 | N1 | C11 | H18 | 86.0° | 174.2° |
| C5 | N | C4 | H8 | 180.0° | 180.0° |
| C5 | N | C4 | C3 | 101.8° | 86.4° |
| C5 | N | C4 | C | 137.0° | 156.5° |
| C5 | N | C4 | H1 | 16.6° | 35.0° |
| O1 | C5 | N | C4 | 8.8° | 0.1° |
| O1 | C5 | N | H8 | 171.2° | 180.0° |
| C36 | C8 | C9 | C10 | 59.8° | 57.7° |
| C36 | C8 | C9 | C7 | 135.3° | 119.9° |
| C36 | C8 | C9 | H12 | 110.5° | 119.9° |
| C36 | C8 | C7 | H12 | 114.5° | 120.2° |
| C36 | C8 | C7 | C | 61.8° | 174.8° |
| C36 | C8 | C7 | C37 | 54.9° | 54.8° |
| C36 | C8 | C7 | C41 | 179.3° | 65.1° |
| C8 | C36 | C35 | H53 | 61.2° | 179.2° |
| C8 | C36 | C35 | H54 | 179.4° | 60.8° |
| C8 | C36 | H55 | H56 | 119.9° | 120.1° |
| C36 | C8 | C9 | H14 | 60.1° | 177.6° |
| C36 | C8 | C9 | H13 | 179.8° | 62.3° |
| N | C4 | C3 | C | 125.4° | 119.1° |
| N | C4 | C3 | H1 | 119.0° | 121.5° |
| N | C4 | C | H1 | 120.9° | 121.4° |
| N | C4 | C3 | C2 | 129.5° | 95.7° |
| N | C4 | C | C7 | 77.0° | 121.5° |
| N | C4 | C | C1 | 150.8° | 119.3° |
| N | C4 | C | H | 41.9° | 0.1° |
| N | C4 | C3 | H6 | 111.1° | 145.7° |
| N | C4 | C3 | H7 | 10.1° | 23.1° |
| C10 | C9 | C8 | H14 | 120.0° | 119.9° |
| C10 | C9 | C8 | H13 | 119.9° | 120.0° |
| C10 | C9 | C8 | C7 | 164.9° | 177.6° |
| C10 | C9 | C8 | H12 | 50.7° | 62.2° |
| C9 | C10 | H15 | H16 | 119.2° | 120.0° |
| C10 | C9 | H14 | H13 | 120.2° | 120.2° |
| C9 | C8 | C7 | H12 | 114.7° | 120.2° |
| C9 | C8 | C7 | C | 167.5° | 65.5° |
| C9 | C8 | C7 | C37 | 75.9° | 174.5° |
| C9 | C8 | C7 | C41 | 48.6° | 54.6° |
| C9 | C8 | C36 | H55 | 179.0° | 177.6° |
| C9 | C8 | C36 | H56 | 61.1° | 62.3° |
| C8 | C9 | C10 | H15 | 178.5° | 179.2° |
| C8 | C9 | C10 | H16 | 59.1° | 60.8° |
| C8 | C9 | H14 | H13 | 120.2° | 120.1° |
| C8 | C7 | C | C4 | 51.1° | 176.7° |
| C8 | C7 | C | C37 | 116.9° | 120.0° |
| C8 | C7 | C | C41 | 120.4° | 120.0° |
| C8 | C7 | C | C1 | 177.3° | 66.2° |
| C8 | C7 | C37 | C41 | 122.7° | 120.0° |
| C8 | C7 | C37 | N5 | 64.0° | 179.0° |
| C8 | C7 | C41 | C42 | 42.0° | 77.6° |
| C8 | C7 | C41 | C46 | 142.2° | 102.4° |
| C7 | C8 | C36 | H55 | 45.5° | 62.5° |
| C7 | C8 | C36 | H56 | 74.4° | 57.6° |
| C8 | C7 | C37 | H57 | 174.9° | 60.9° |
| C8 | C7 | C37 | H58 | 57.2° | 59.0° |
| C8 | C7 | C | H | 68.1° | 55.2° |
| C7 | C8 | C9 | H14 | 75.2° | 62.5° |
| C7 | C8 | C9 | H13 | 45.0° | 57.7° |
| C3 | C4 | C | H1 | 115.6° | 119.4° |
| C4 | C3 | C2 | H6 | 119.4° | 118.7° |
| C4 | C3 | C2 | H7 | 119.4° | 118.8° |
| C3 | C4 | C | C7 | 159.5° | 119.3° |
| C3 | C4 | C | C1 | 27.3° | 0.0° |
| C4 | C3 | C2 | C1 | 21.6° | 37.8° |
| C3 | C4 | C | H | 81.6° | 119.3° |
| C3 | C4 | N | H8 | 78.2° | 93.5° |
| C4 | C3 | H6 | H7 | 121.7° | 122.6° |
| C4 | C3 | C2 | H4 | 140.9° | 80.4° |
| C4 | C3 | C2 | H5 | 97.7° | 156.3° |
| C | C4 | C3 | C2 | 4.1° | 23.5° |
| C4 | C | C7 | C1 | 126.2° | 117.1° |
| C4 | C | C7 | H | 119.2° | 121.5° |
| C4 | C | C1 | H | 109.0° | 119.4° |
| C4 | C | C1 | C2 | 40.7° | 23.6° |
| C4 | C | C7 | C37 | 168.0° | 63.3° |
| C4 | C | C7 | C41 | 69.3° | 56.7° |
| C4 | C | C1 | H2 | 159.8° | 142.3° |
| C4 | C | C1 | H3 | 78.3° | 95.2° |
| C | C4 | N | H8 | 43.0° | 23.6° |
| C | C4 | C3 | H6 | 123.5° | 95.1° |
| C | C4 | C3 | H7 | 115.3° | 142.3° |
| C3 | C2 | C1 | C | 39.2° | 37.8° |
| C3 | C2 | C1 | H4 | 119.3° | 118.3° |
| C3 | C2 | C1 | H5 | 119.3° | 118.4° |
| C3 | C2 | C1 | H2 | 158.3° | 156.5° |
| C3 | C2 | C1 | H3 | 79.9° | 81.0° |
| C2 | C3 | C4 | H1 | 111.5° | 142.9° |
| C2 | C3 | H6 | H7 | 121.7° | 122.6° |
| C3 | C2 | H4 | H5 | 122.2° | 123.3° |
| C7 | C | C1 | H | 114.3° | 121.4° |
| C7 | C | C1 | C2 | 177.5° | 142.8° |
| C | C7 | C37 | C41 | 119.3° | 120.0° |
| C | C7 | C37 | N5 | 178.1° | 61.0° |
| C | C7 | C41 | C42 | 77.8° | 162.4° |
| C | C7 | C41 | C46 | 98.0° | 17.6° |
| C7 | C | C1 | H2 | 63.4° | 98.4° |
| C7 | C | C1 | H3 | 58.4° | 24.1° |
| C | C7 | C37 | H57 | 56.9° | 59.1° |
| C | C7 | C37 | H58 | 60.8° | 179.1° |
| C7 | C | C4 | H1 | 44.0° | 0.1° |
| C | C7 | C8 | H12 | 52.8° | 54.7° |
| C | C1 | C2 | H2 | 119.1° | 118.7° |
| C | C1 | C2 | H3 | 119.1° | 118.8° |
| C1 | C | C7 | C37 | 65.7° | 53.8° |
| C1 | C | C7 | C41 | 56.9° | 173.8° |
| C | C1 | H2 | H3 | 122.7° | 122.6° |
| C1 | C | C4 | H1 | 88.3° | 119.3° |
| C | C1 | C2 | H4 | 158.5° | 80.5° |
| C | C1 | C2 | H5 | 80.1° | 156.2° |
| N5 | C38 | C39 | H60 | 116.1° | 114.7° |
| N5 | C38 | C39 | H59 | 116.2° | 114.8° |
| C38 | N5 | C37 | C7 | 124.4° | 100.4° |
| C38 | N5 | C37 | C40 | 113.2° | 96.0° |
| N5 | C38 | C39 | C40 | 12.5° | 26.0° |
| C38 | N5 | C40 | H64 | 129.2° | 141.8° |
| C38 | N5 | C40 | H63 | 103.2° | 87.9° |
| C38 | N5 | C37 | H57 | 114.4° | 139.6° |
| C38 | N5 | C37 | H58 | 3.3° | 19.6° |
| N5 | C38 | C39 | H62 | 128.8° | 87.6° |
| N5 | C38 | C39 | H61 | 103.7° | 139.6° |
| N5 | C38 | H60 | H59 | 130.2° | 130.8° |
| C39 | C38 | N5 | C37 | 140.1° | 138.6° |
| C38 | C39 | C40 | H62 | 116.3° | 113.6° |
| C38 | C39 | C40 | H61 | 116.2° | 113.9° |
| C38 | C39 | C40 | H64 | 128.7° | 140.8° |
| C38 | C39 | C40 | H63 | 103.7° | 88.8° |
| C38 | C39 | H62 | H61 | 130.0° | 133.3° |
| C39 | C38 | H60 | H59 | 130.2° | 130.8° |
| C2 | C1 | H2 | H3 | 122.7° | 122.5° |
| C2 | C1 | C | H | 68.2° | 95.8° |
| C1 | C2 | C3 | H6 | 97.8° | 80.9° |
| C1 | C2 | C3 | H7 | 141.0° | 156.5° |
| C1 | C2 | H4 | H5 | 122.1° | 123.5° |
| C7 | C37 | N5 | H57 | 121.1° | 120.0° |
| C7 | C37 | N5 | H58 | 121.1° | 120.0° |
| C7 | C37 | N5 | C40 | 122.3° | 163.6° |
| C37 | C7 | C41 | C42 | 163.3° | 42.4° |
| C37 | C7 | C41 | C46 | 21.0° | 137.6° |
| C7 | C37 | H57 | H58 | 116.3° | 120.0° |
| C37 | C7 | C | H | 48.9° | 175.2° |
| C37 | C7 | C8 | H12 | 169.4° | 65.3° |
| C41 | C7 | C37 | N5 | 58.7° | 59.0° |
| C7 | C41 | C42 | C46 | 175.9° | 180.0° |
| C7 | C41 | C42 | C43 | 175.8° | 180.0° |
| C7 | C41 | C46 | C45 | 176.4° | 179.5° |
| C7 | C41 | C42 | H65 | 4.2° | 0.3° |
| C7 | C41 | C46 | H68 | 3.6° | 0.2° |
| C41 | C7 | C37 | H57 | 62.4° | 179.1° |
| C41 | C7 | C37 | H58 | 179.9° | 60.9° |
| C41 | C7 | C | H | 171.5° | 64.8° |
| C41 | C7 | C8 | H12 | 66.1° | 174.7° |
| C37 | N5 | C40 | C39 | 140.6° | 138.7° |
| C37 | N5 | C40 | H64 | 103.2° | 106.5° |
| C37 | N5 | C40 | H63 | 24.4° | 23.9° |
| N5 | C37 | H57 | H58 | 116.3° | 120.0° |
| C37 | N5 | C38 | H60 | 23.9° | 23.9° |
| C37 | N5 | C38 | H59 | 103.8° | 106.5° |
| N5 | C40 | C39 | H64 | 116.2° | 114.8° |
| N5 | C40 | C39 | H63 | 116.2° | 114.8° |
| N5 | C40 | H64 | H63 | 130.1° | 130.7° |
| C40 | N5 | C37 | H57 | 1.2° | 43.6° |
| C40 | N5 | C37 | H58 | 116.5° | 76.4° |
| N5 | C40 | C39 | H62 | 128.8° | 87.7° |
| N5 | C40 | C39 | H61 | 103.7° | 139.9° |
| C40 | N5 | C38 | H60 | 103.2° | 87.8° |
| C40 | N5 | C38 | H59 | 129.2° | 141.8° |
| C39 | C40 | H64 | H63 | 130.1° | 130.8° |
| C40 | C39 | H62 | H61 | 130.0° | 132.9° |
| C40 | C39 | C38 | H60 | 103.6° | 88.8° |
| C40 | C39 | C38 | H59 | 128.7° | 140.8° |
| C41 | C42 | C43 | H65 | 180.0° | 179.7° |
| C42 | C41 | C46 | C45 | 0.5° | 0.5° |
| C41 | C42 | C43 | C44 | 0.5° | 0.3° |
| C42 | C41 | C46 | H68 | 179.5° | 179.8° |
| C41 | C42 | C43 | H66 | 179.5° | 179.7° |
| C46 | C41 | C42 | C43 | 0.1° | 0.0° |
| C41 | C46 | C45 | H68 | 180.0° | 179.3° |
| C41 | C46 | C45 | C44 | 0.7° | 0.7° |
| C41 | C46 | C45 | F | 178.6° | 179.2° |
| C46 | C41 | C42 | H65 | 179.9° | 179.7° |
| C42 | C43 | C44 | H66 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.4° | 0.1° |
| C42 | C43 | C44 | H67 | 179.6° | 180.0° |
| C46 | C45 | C44 | C43 | 0.2° | 0.4° |
| C46 | C45 | C44 | F | 179.3° | 179.9° |
| C46 | C45 | C44 | H67 | 179.8° | 179.5° |
| C43 | C44 | C45 | H67 | 180.0° | 179.9° |
| C43 | C44 | C45 | F | 179.1° | 179.5° |
| C44 | C43 | C42 | H65 | 179.5° | 180.0° |
| C44 | C45 | C46 | H68 | 179.3° | 180.0° |
| C45 | C44 | C43 | H66 | 179.7° | 179.9° |
| F | C45 | C44 | H67 | 0.9° | 0.6° |
| F | C45 | C46 | H68 | 1.3° | 0.1° |
| H2 | C1 | C | H | 50.8° | 22.9° |
| H2 | C1 | C2 | H4 | 82.4° | 38.3° |
| H2 | C1 | C2 | H5 | 39.0° | 85.1° |
| H3 | C1 | C | H | 172.7° | 145.5° |
| H3 | C1 | C2 | H4 | 39.4° | 160.7° |
| H3 | C1 | C2 | H5 | 160.8° | 37.4° |
| H19 | C12 | C11 | H17 | 175.3° | 76.6° |
| H19 | C12 | C11 | H18 | 64.8° | 163.4° |
| H19 | C12 | C34 | H51 | 3.0° | 107.5° |
| H19 | C12 | C34 | H52 | 130.4° | 23.8° |
| H19 | C12 | C13 | H21 | 130.4° | 23.7° |
| H19 | C12 | C13 | H20 | 3.0° | 107.6° |
| H24 | C18 | C31 | H48 | 0.5° | 27.0° |
| H24 | C18 | C31 | H47 | 127.0° | 157.5° |
| H24 | C18 | C19 | H26 | 126.9° | 157.7° |
| H24 | C18 | C19 | H25 | 0.9° | 27.3° |
| H28 | C21 | C22 | H30 | 62.4° | 60.1° |
| H28 | C21 | C22 | H29 | 178.8° | 180.0° |
| H27 | C21 | C22 | H30 | 56.0° | 180.0° |
| H27 | C21 | C22 | H29 | 62.9° | 60.1° |
| H30 | C22 | C25 | H36 | 101.7° | 180.0° |
| H30 | C22 | C25 | H35 | 140.2° | 59.9° |
| H29 | C22 | C25 | H36 | 17.2° | 60.0° |
| H29 | C22 | C25 | H35 | 100.9° | 180.0° |
| H42 | C28 | C29 | H44 | 59.8° | 62.5° |
| H42 | C28 | C29 | H43 | 59.6° | 57.6° |
| H42 | C28 | C27 | H40 | 90.3° | 57.6° |
| H42 | C28 | C27 | H39 | 29.2° | 62.5° |
| H41 | C28 | C29 | H44 | 179.5° | 57.6° |
| H41 | C28 | C29 | H43 | 60.0° | 177.8° |
| H41 | C28 | C27 | H40 | 29.3° | 177.8° |
| H41 | C28 | C27 | H39 | 148.7° | 57.7° |
| H53 | C35 | C36 | H55 | 58.8° | 60.9° |
| H53 | C35 | C36 | H56 | 178.8° | 59.3° |
| H54 | C35 | C36 | H55 | 60.5° | 59.1° |
| H54 | C35 | C36 | H56 | 59.4° | 179.3° |
| H55 | C36 | C8 | H12 | 68.5° | 57.7° |
| H56 | C36 | C8 | H12 | 171.6° | 177.8° |
| H64 | C40 | C39 | H62 | 115.0° | 27.2° |
| H64 | C40 | C39 | H61 | 12.5° | 105.3° |
| H63 | C40 | C39 | H62 | 12.6° | 157.5° |
| H63 | C40 | C39 | H61 | 140.1° | 25.1° |
| H65 | C42 | C43 | H66 | 0.5° | 0.0° |
| H67 | C44 | C43 | H66 | 0.3° | 0.0° |
| H62 | C39 | C38 | H60 | 12.6° | 157.6° |
| H62 | C39 | C38 | H59 | 115.0° | 27.2° |
| H61 | C39 | C38 | H60 | 140.1° | 24.9° |
| H61 | C39 | C38 | H59 | 12.5° | 105.5° |
| H | C | C4 | H1 | 162.8° | 121.4° |
| H1 | C4 | N | H8 | 163.4° | 145.0° |
| H1 | C4 | C3 | H6 | 7.9° | 24.3° |
| H1 | C4 | C3 | H7 | 129.1° | 98.3° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H6 | C3 | C2 | H4 | 21.4° | 160.9° |
| H6 | C3 | C2 | H5 | 142.9° | 37.6° |
| H7 | C3 | C2 | H4 | 99.7° | 38.4° |
| H7 | C3 | C2 | H5 | 21.8° | 85.0° |
| H12 | C8 | C9 | H14 | 170.6° | 57.7° |
| H12 | C8 | C9 | H13 | 69.2° | 177.9° |
| H15 | C10 | C9 | H14 | 61.5° | 60.9° |
| H15 | C10 | C9 | H13 | 58.6° | 59.3° |
| H16 | C10 | C9 | H14 | 179.0° | 59.0° |
| H16 | C10 | C9 | H13 | 60.9° | 179.2° |
| H50 | C33 | C32 | H49 | 1.6° | 0.0° |
| H23 | C16 | C15 | H22 | 0.8° | 0.2° |
| H46 | C30 | C29 | H44 | 144.9° | 60.9° |
| H46 | C30 | C29 | H43 | 25.4° | 59.3° |
| H45 | C30 | C29 | H44 | 26.1° | 59.1° |
| H45 | C30 | C29 | H43 | 93.4° | 179.2° |
| H40 | C27 | C26 | H38 | 32.9° | 179.2° |
| H40 | C27 | C26 | H37 | 152.1° | 59.3° |
| H39 | C27 | C26 | H38 | 86.6° | 59.1° |
| H39 | C27 | C26 | H37 | 32.6° | 60.8° |
