3UJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N42 | sing | 1.46Å | 1.45Å | |
| C36 | C32 | sing | 1.53Å | 1.55Å | |
| N42 | C22 | sing | 1.35Å | 1.39Å | |
| N37 | C1 | trip | 1.14Å | 1.16Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C11 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C14 | sing | 1.43Å | 1.43Å | |
| C22 | O43 | doub | 1.22Å | 1.25Å | |
| C22 | C18 | sing | 1.48Å | 1.45Å | |
| C18 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | N40 | sing | 1.47Å | 1.48Å | |
| N40 | C25 | sing | 1.49Å | 1.47Å | |
| N40 | C26 | sing | 1.49Å | 1.47Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C23 | sing | 1.54Å | 1.53Å | |
| C17 | C16 | sing | 1.48Å | 1.44Å | |
| C26 | C24 | sing | 1.54Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | N41 | sing | 1.47Å | 1.47Å | |
| C16 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | N39 | sing | 1.47Å | 1.47Å | |
| C7 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N39 | C21 | sing | 1.39Å | 1.40Å | |
| N39 | C28 | sing | 1.47Å | 1.47Å | |
| N41 | C30 | sing | 1.47Å | 1.48Å | |
| N41 | C35 | sing | 1.47Å | 1.46Å | |
| C21 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C33 | sing | 1.53Å | 1.53Å | |
| C9 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | N38 | sing | 1.46Å | 1.46Å | |
| N38 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
| N38 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C19 | doub | 1.34Å | 1.37Å | Aromatic |
| C20 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C15 | sing | 1.46Å | 1.42Å | Aromatic |
| C19 | C31 | sing | 1.51Å | 1.48Å | |
| C15 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| N42 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N42 | C36 | C32 | 112.0° | 109.5° |
| C36 | N42 | C22 | 122.2° | 120.0° |
| N42 | C36 | H40 | 108.9° | 109.4° |
| N42 | C36 | H41 | 108.9° | 109.5° |
| C36 | N42 | H44 | 118.9° | 120.0° |
| C36 | C32 | C34 | 115.3° | 109.5° |
| C36 | C32 | H32 | 108.0° | 109.5° |
| C36 | C32 | H33 | 108.0° | 109.5° |
| C32 | C36 | H40 | 108.8° | 109.5° |
| C32 | C36 | H41 | 108.8° | 109.5° |
| N42 | C22 | O43 | 122.3° | 120.0° |
| N42 | C22 | C18 | 116.4° | 120.0° |
| C22 | N42 | H44 | 118.9° | 120.0° |
| N37 | C1 | C14 | 178.7° | 180.0° |
| C32 | C34 | N40 | 114.7° | 109.5° |
| C34 | C32 | H32 | 108.0° | 109.4° |
| C34 | C32 | H33 | 108.0° | 109.5° |
| C32 | C34 | H36 | 108.2° | 109.5° |
| C32 | C34 | H37 | 108.2° | 109.5° |
| C18 | C11 | C14 | 118.4° | 120.0° |
| C11 | C18 | C22 | 121.4° | 120.0° |
| C11 | C18 | C12 | 120.7° | 120.0° |
| C18 | C11 | H10 | 120.8° | 120.1° |
| C11 | C14 | C1 | 119.2° | 120.0° |
| C11 | C14 | C10 | 120.8° | 120.0° |
| C14 | C11 | H10 | 120.8° | 120.0° |
| C1 | C14 | C10 | 120.0° | 120.0° |
| O43 | C22 | C18 | 121.2° | 120.0° |
| C22 | C18 | C12 | 117.9° | 120.0° |
| C18 | C12 | C17 | 120.8° | 120.0° |
| C18 | C12 | H11 | 119.6° | 120.0° |
| C14 | C10 | C17 | 120.2° | 120.0° |
| C14 | C10 | H9 | 119.9° | 120.0° |
| C34 | N40 | C25 | 114.1° | 111.0° |
| C34 | N40 | C26 | 112.9° | 111.0° |
| N40 | C34 | H36 | 108.1° | 109.5° |
| N40 | C34 | H37 | 108.2° | 109.5° |
| C25 | N40 | C26 | 104.1° | 104.2° |
| N40 | C25 | C23 | 104.2° | 104.6° |
| N40 | C25 | H17 | 110.8° | 110.4° |
| N40 | C25 | H18 | 110.8° | 110.5° |
| N40 | C26 | C24 | 100.4° | 104.6° |
| N40 | C26 | H19 | 111.7° | 110.5° |
| N40 | C26 | H20 | 111.7° | 110.5° |
| C12 | C17 | C10 | 119.0° | 120.1° |
| C12 | C17 | C16 | 120.1° | 119.9° |
| C17 | C12 | H11 | 119.6° | 120.0° |
| C10 | C17 | C16 | 120.7° | 120.0° |
| C17 | C10 | H9 | 119.9° | 120.0° |
| C25 | C23 | C24 | 105.2° | 105.0° |
| C25 | C23 | H13 | 110.5° | 110.3° |
| C25 | C23 | H14 | 110.5° | 110.4° |
| C23 | C25 | H17 | 110.8° | 110.4° |
| C23 | C25 | H18 | 110.8° | 110.4° |
| C17 | C16 | C7 | 116.4° | 120.1° |
| C17 | C16 | C21 | 123.5° | 120.2° |
| C26 | C24 | C23 | 103.0° | 105.1° |
| C26 | C24 | H15 | 111.1° | 110.3° |
| C26 | C24 | H16 | 111.1° | 110.4° |
| C24 | C26 | H19 | 111.6° | 110.4° |
| C24 | C26 | H20 | 111.7° | 110.4° |
| C24 | C23 | H13 | 110.5° | 110.3° |
| C24 | C23 | H14 | 110.5° | 110.3° |
| C23 | C24 | H15 | 111.0° | 110.3° |
| C23 | C24 | H16 | 111.1° | 110.4° |
| C27 | C29 | N41 | 111.4° | 109.4° |
| C29 | C27 | N39 | 113.5° | 109.4° |
| C29 | C27 | H21 | 108.5° | 109.5° |
| C29 | C27 | H22 | 108.5° | 109.6° |
| C27 | C29 | H25 | 109.0° | 109.5° |
| C27 | C29 | H26 | 109.0° | 109.5° |
| C29 | N41 | C30 | 112.3° | 110.9° |
| C29 | N41 | C35 | 111.4° | 111.0° |
| N41 | C29 | H25 | 109.0° | 109.4° |
| N41 | C29 | H26 | 109.0° | 109.5° |
| C7 | C16 | C21 | 120.1° | 119.7° |
| C16 | C7 | C3 | 121.3° | 120.0° |
| C16 | C7 | H1 | 119.3° | 120.1° |
| C16 | C21 | N39 | 120.1° | 120.2° |
| C16 | C21 | C9 | 118.5° | 119.7° |
| C27 | N39 | C21 | 112.0° | 111.0° |
| C27 | N39 | C28 | 112.4° | 110.9° |
| N39 | C27 | H21 | 108.5° | 109.4° |
| N39 | C27 | H22 | 108.5° | 109.5° |
| C7 | C3 | C5 | 118.4° | 120.2° |
| C3 | C7 | H1 | 119.3° | 120.0° |
| C7 | C3 | H5 | 120.8° | 119.9° |
| C21 | N39 | C28 | 117.5° | 111.0° |
| N39 | C21 | C9 | 121.1° | 120.1° |
| N39 | C28 | C30 | 112.4° | 109.4° |
| N39 | C28 | H23 | 108.7° | 109.5° |
| N39 | C28 | H24 | 108.7° | 109.5° |
| C30 | N41 | C35 | 112.8° | 111.0° |
| N41 | C30 | C28 | 115.7° | 109.3° |
| N41 | C30 | H27 | 107.9° | 109.5° |
| N41 | C30 | H28 | 107.9° | 109.6° |
| N41 | C35 | C33 | 113.7° | 109.5° |
| N41 | C35 | H38 | 108.4° | 109.4° |
| N41 | C35 | H39 | 108.4° | 109.5° |
| C21 | C9 | C5 | 121.7° | 120.0° |
| C21 | C9 | H8 | 119.1° | 120.0° |
| C30 | C28 | H23 | 108.7° | 109.5° |
| C30 | C28 | H24 | 108.8° | 109.5° |
| C28 | C30 | H27 | 107.9° | 109.5° |
| C28 | C30 | H28 | 107.9° | 109.5° |
| C3 | C5 | C9 | 119.9° | 120.3° |
| C3 | C5 | H3 | 120.0° | 119.8° |
| C5 | C3 | H5 | 120.8° | 119.9° |
| C35 | C33 | N38 | 111.0° | 109.5° |
| C35 | C33 | H34 | 109.1° | 109.5° |
| C35 | C33 | H35 | 109.1° | 109.5° |
| C33 | C35 | H38 | 108.4° | 109.5° |
| C33 | C35 | H39 | 108.4° | 109.5° |
| C9 | C5 | H3 | 120.1° | 119.8° |
| C5 | C9 | H8 | 119.2° | 120.0° |
| C33 | N38 | C13 | 124.0° | 125.1° |
| C33 | N38 | C20 | 125.6° | 125.0° |
| N38 | C33 | H34 | 109.1° | 109.5° |
| N38 | C33 | H35 | 109.1° | 109.4° |
| C13 | N38 | C20 | 110.4° | 109.9° |
| N38 | C13 | C19 | 107.9° | 109.9° |
| N38 | C13 | H12 | 126.1° | 125.1° |
| N38 | C20 | C8 | 129.6° | 133.5° |
| N38 | C20 | C15 | 106.9° | 107.2° |
| C13 | C19 | C15 | 107.4° | 107.0° |
| C13 | C19 | C31 | 125.7° | 126.5° |
| C19 | C13 | H12 | 126.0° | 125.0° |
| C8 | C20 | C15 | 123.5° | 119.3° |
| C20 | C8 | C4 | 116.9° | 119.8° |
| C20 | C8 | H7 | 121.5° | 120.1° |
| C20 | C15 | C19 | 107.4° | 106.0° |
| C20 | C15 | C6 | 118.5° | 119.9° |
| C8 | C4 | C2 | 121.1° | 120.7° |
| C8 | C4 | H4 | 119.4° | 119.7° |
| C4 | C8 | H7 | 121.5° | 120.1° |
| C15 | C19 | C31 | 126.9° | 126.5° |
| C19 | C15 | C6 | 134.1° | 134.0° |
| C19 | C31 | H29 | 109.5° | 109.5° |
| C19 | C31 | H30 | 109.4° | 109.5° |
| C19 | C31 | H31 | 109.5° | 109.5° |
| C15 | C6 | C2 | 118.8° | 119.8° |
| C15 | C6 | H2 | 120.6° | 120.1° |
| C4 | C2 | C6 | 121.2° | 120.5° |
| C2 | C4 | H4 | 119.5° | 119.7° |
| C4 | C2 | H6 | 119.4° | 119.7° |
| C2 | C6 | H2 | 120.6° | 120.1° |
| C6 | C2 | H6 | 119.4° | 119.7° |
| H13 | C23 | H14 | 109.5° | 110.3° |
| H15 | C24 | H16 | 109.5° | 110.3° |
| H17 | C25 | H18 | 109.5° | 110.3° |
| H19 | C26 | H20 | 109.5° | 110.3° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.4° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.4° |
| H36 | C34 | H37 | 109.4° | 109.4° |
| H38 | C35 | H39 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N42 | C36 | C32 | H40 | 120.4° | 120.0° |
| N42 | C36 | C32 | H41 | 120.4° | 120.1° |
| C36 | N42 | C22 | H44 | 180.0° | 180.0° |
| N42 | C36 | C32 | C34 | 53.8° | 180.0° |
| C36 | N42 | C22 | O43 | 2.6° | 0.0° |
| C36 | N42 | C22 | C18 | 177.5° | 180.0° |
| N42 | C36 | C32 | H32 | 174.7° | 60.1° |
| N42 | C36 | C32 | H33 | 67.0° | 60.0° |
| N42 | C36 | H40 | H41 | 118.9° | 120.1° |
| C32 | C36 | N42 | C22 | 98.9° | 180.0° |
| C36 | C32 | C34 | H32 | 120.9° | 120.0° |
| C36 | C32 | C34 | H33 | 120.9° | 120.0° |
| C36 | C32 | C34 | N40 | 166.3° | 180.0° |
| C36 | C32 | H32 | H33 | 117.3° | 120.1° |
| C36 | C32 | C34 | H36 | 72.9° | 60.0° |
| C36 | C32 | C34 | H37 | 45.5° | 60.0° |
| C32 | C36 | H40 | H41 | 118.8° | 120.0° |
| C32 | C36 | N42 | H44 | 81.2° | 0.0° |
| N42 | C22 | C18 | C11 | 50.3° | 0.0° |
| N42 | C22 | O43 | C18 | 179.9° | 180.0° |
| N42 | C22 | C18 | C12 | 128.4° | 179.7° |
| C22 | N42 | C36 | H40 | 21.5° | 60.0° |
| C22 | N42 | C36 | H41 | 140.8° | 60.0° |
| N37 | C1 | C14 | C11 | 48.8° | 149.0° |
| N37 | C1 | C14 | C10 | 130.2° | 31.0° |
| C32 | C34 | N40 | H36 | 120.8° | 120.0° |
| C32 | C34 | N40 | H37 | 120.8° | 120.0° |
| C32 | C34 | N40 | C25 | 69.7° | 170.0° |
| C32 | C34 | N40 | C26 | 171.6° | 74.6° |
| C34 | C32 | H32 | H33 | 117.3° | 120.0° |
| C32 | C34 | H36 | H37 | 117.6° | 120.0° |
| C34 | C32 | C36 | H40 | 66.6° | 60.0° |
| C34 | C32 | C36 | H41 | 174.2° | 60.0° |
| C18 | C11 | C14 | H10 | 180.0° | 179.7° |
| C18 | C11 | C14 | C1 | 179.3° | 180.0° |
| C11 | C18 | C22 | O43 | 129.6° | 180.0° |
| C11 | C18 | C22 | C12 | 178.7° | 179.7° |
| C18 | C11 | C14 | C10 | 0.3° | 0.0° |
| C11 | C18 | C12 | C17 | 0.1° | 0.5° |
| C11 | C18 | C12 | H11 | 179.9° | 180.0° |
| C11 | C14 | C1 | C10 | 179.0° | 180.0° |
| C14 | C11 | C18 | C22 | 179.2° | 180.0° |
| C14 | C11 | C18 | C12 | 0.6° | 0.3° |
| C11 | C14 | C10 | C17 | 1.7° | 0.1° |
| C11 | C14 | C10 | H9 | 178.3° | 179.7° |
| C1 | C14 | C10 | C17 | 179.3° | 179.9° |
| C1 | C14 | C10 | H9 | 0.7° | 0.3° |
| C1 | C14 | C11 | H10 | 0.7° | 0.3° |
| O43 | C22 | C18 | C12 | 51.8° | 0.3° |
| O43 | C22 | N42 | H44 | 177.4° | 180.0° |
| C22 | C18 | C12 | C17 | 178.8° | 179.8° |
| C22 | C18 | C11 | H10 | 0.8° | 0.3° |
| C22 | C18 | C12 | H11 | 1.2° | 0.3° |
| C18 | C22 | N42 | H44 | 2.5° | 0.0° |
| C18 | C12 | C17 | H11 | 180.0° | 179.5° |
| C18 | C12 | C17 | C10 | 1.2° | 0.4° |
| C18 | C12 | C17 | C16 | 177.4° | 179.5° |
| C12 | C18 | C11 | H10 | 179.4° | 180.0° |
| C14 | C10 | C17 | C12 | 2.1° | 0.1° |
| C14 | C10 | C17 | H9 | 180.0° | 179.8° |
| C14 | C10 | C17 | C16 | 178.3° | 179.8° |
| C10 | C14 | C11 | H10 | 179.7° | 179.7° |
| C34 | N40 | C25 | C26 | 123.5° | 119.6° |
| C34 | N40 | C25 | C23 | 159.1° | 159.1° |
| C34 | N40 | C26 | C24 | 172.7° | 159.0° |
| C34 | N40 | C25 | H17 | 81.7° | 40.2° |
| C34 | N40 | C25 | H18 | 40.0° | 82.1° |
| C34 | N40 | C26 | H19 | 54.2° | 82.2° |
| C34 | N40 | C26 | H20 | 68.8° | 40.2° |
| N40 | C34 | C32 | H32 | 45.4° | 60.0° |
| N40 | C34 | C32 | H33 | 72.8° | 60.0° |
| N40 | C34 | H36 | H37 | 117.6° | 120.0° |
| N40 | C25 | C23 | H17 | 119.2° | 118.8° |
| N40 | C25 | C23 | H18 | 119.2° | 118.9° |
| C25 | N40 | C26 | C24 | 48.3° | 39.5° |
| N40 | C25 | C23 | C24 | 8.7° | 23.9° |
| N40 | C25 | C23 | H13 | 110.6° | 142.7° |
| N40 | C25 | C23 | H14 | 128.0° | 95.1° |
| N40 | C25 | H17 | H18 | 122.5° | 122.4° |
| C25 | N40 | C26 | H19 | 70.2° | 158.3° |
| C25 | N40 | C26 | H20 | 166.9° | 79.4° |
| C25 | N40 | C34 | H36 | 51.1° | 50.0° |
| C25 | N40 | C34 | H37 | 169.5° | 70.0° |
| C26 | N40 | C25 | C23 | 35.6° | 39.5° |
| N40 | C26 | C24 | H19 | 118.5° | 118.8° |
| N40 | C26 | C24 | H20 | 118.5° | 118.9° |
| N40 | C26 | C24 | C23 | 41.5° | 23.8° |
| N40 | C26 | C24 | H15 | 160.4° | 95.0° |
| N40 | C26 | C24 | H16 | 77.5° | 142.8° |
| C26 | N40 | C25 | H17 | 154.8° | 79.3° |
| C26 | N40 | C25 | H18 | 83.5° | 158.3° |
| N40 | C26 | H19 | H20 | 124.2° | 122.5° |
| C26 | N40 | C34 | H36 | 67.6° | 165.4° |
| C26 | N40 | C34 | H37 | 50.8° | 45.5° |
| C12 | C17 | C10 | C16 | 176.1° | 179.9° |
| C12 | C17 | C16 | C7 | 46.3° | 50.1° |
| C12 | C17 | C16 | C21 | 137.6° | 130.0° |
| C12 | C17 | C10 | H9 | 177.9° | 180.0° |
| C10 | C17 | C16 | C7 | 129.8° | 130.1° |
| C10 | C17 | C16 | C21 | 46.3° | 49.9° |
| C10 | C17 | C12 | H11 | 178.8° | 179.9° |
| C25 | C23 | C24 | C26 | 20.2° | 0.0° |
| C25 | C23 | C24 | H13 | 119.3° | 118.9° |
| C25 | C23 | C24 | H14 | 119.3° | 119.0° |
| C25 | C23 | H13 | H14 | 122.0° | 122.3° |
| C25 | C23 | C24 | H15 | 139.2° | 118.9° |
| C25 | C23 | C24 | H16 | 98.8° | 119.0° |
| C23 | C25 | H17 | H18 | 122.4° | 122.4° |
| C17 | C16 | C7 | C21 | 176.3° | 179.9° |
| C17 | C16 | C7 | C3 | 177.3° | 180.0° |
| C17 | C16 | C21 | N39 | 6.6° | 0.1° |
| C17 | C16 | C21 | C9 | 178.7° | 180.0° |
| C17 | C16 | C7 | H1 | 2.7° | 0.3° |
| C16 | C17 | C10 | H9 | 1.8° | 0.1° |
| C16 | C17 | C12 | H11 | 2.6° | 0.0° |
| C26 | C24 | C23 | H15 | 119.0° | 118.8° |
| C26 | C24 | C23 | H16 | 119.0° | 119.1° |
| C26 | C24 | C23 | H13 | 139.5° | 118.9° |
| C26 | C24 | C23 | H14 | 99.1° | 119.0° |
| C26 | C24 | H15 | H16 | 123.0° | 122.3° |
| C24 | C26 | H19 | H20 | 124.2° | 122.3° |
| C24 | C23 | H13 | H14 | 122.0° | 122.1° |
| C23 | C24 | H15 | H16 | 123.0° | 122.1° |
| C24 | C23 | C25 | H17 | 127.9° | 94.9° |
| C24 | C23 | C25 | H18 | 110.5° | 142.8° |
| C23 | C24 | C26 | H19 | 77.0° | 142.7° |
| C23 | C24 | C26 | H20 | 160.0° | 95.1° |
| C27 | C29 | N41 | H25 | 120.3° | 120.0° |
| C27 | C29 | N41 | H26 | 120.3° | 120.0° |
| C29 | C27 | N39 | H21 | 120.6° | 120.0° |
| C29 | C27 | N39 | H22 | 120.6° | 120.1° |
| C29 | C27 | N39 | C21 | 171.5° | 176.8° |
| C29 | C27 | N39 | C28 | 53.6° | 59.3° |
| C27 | C29 | N41 | C30 | 50.6° | 59.4° |
| C27 | C29 | N41 | C35 | 77.0° | 64.5° |
| C29 | C27 | H21 | H22 | 118.2° | 120.1° |
| C27 | C29 | H25 | H26 | 119.1° | 120.1° |
| N41 | C29 | C27 | N39 | 54.8° | 58.5° |
| C29 | N41 | C30 | C35 | 126.9° | 123.9° |
| C29 | N41 | C30 | C28 | 47.7° | 59.3° |
| C29 | N41 | C35 | C33 | 146.2° | 170.0° |
| N41 | C29 | C27 | H21 | 175.5° | 178.4° |
| N41 | C29 | C27 | H22 | 65.8° | 61.6° |
| N41 | C29 | H25 | H26 | 119.1° | 120.0° |
| C29 | N41 | C30 | H27 | 168.5° | 60.6° |
| C29 | N41 | C30 | H28 | 73.2° | 179.3° |
| C29 | N41 | C35 | H38 | 93.2° | 50.1° |
| C29 | N41 | C35 | H39 | 25.6° | 70.0° |
| C16 | C7 | C3 | H1 | 180.0° | 179.7° |
| C7 | C16 | C21 | N39 | 177.4° | 180.0° |
| C7 | C16 | C21 | C9 | 2.7° | 0.0° |
| C16 | C7 | C3 | C5 | 0.7° | 0.3° |
| C16 | C7 | C3 | H5 | 179.3° | 179.8° |
| C16 | C21 | N39 | C27 | 57.5° | 120.0° |
| C21 | C16 | C7 | C3 | 1.0° | 0.0° |
| C16 | C21 | N39 | C9 | 174.5° | 180.0° |
| C16 | C21 | N39 | C28 | 170.2° | 116.2° |
| C16 | C21 | C9 | C5 | 2.8° | 0.3° |
| C21 | C16 | C7 | H1 | 179.0° | 179.8° |
| C16 | C21 | C9 | H8 | 177.2° | 179.7° |
| C27 | N39 | C21 | C28 | 132.4° | 123.8° |
| C27 | N39 | C21 | C9 | 117.0° | 60.0° |
| C27 | N39 | C28 | C30 | 47.9° | 59.3° |
| N39 | C27 | H21 | H22 | 118.2° | 120.0° |
| C27 | N39 | C28 | H23 | 168.4° | 60.7° |
| C27 | N39 | C28 | H24 | 72.5° | 179.3° |
| N39 | C27 | C29 | H25 | 175.1° | 178.4° |
| N39 | C27 | C29 | H26 | 65.4° | 61.6° |
| C7 | C3 | C5 | H5 | 180.0° | 179.9° |
| C7 | C3 | C5 | C9 | 0.7° | 0.6° |
| C7 | C3 | C5 | H3 | 179.4° | 180.0° |
| C21 | N39 | C28 | C30 | 179.9° | 176.8° |
| N39 | C21 | C9 | C5 | 177.4° | 179.7° |
| N39 | C21 | C9 | H8 | 2.6° | 0.2° |
| C21 | N39 | C27 | H21 | 50.9° | 56.8° |
| C21 | N39 | C27 | H22 | 67.9° | 63.1° |
| C21 | N39 | C28 | H23 | 59.5° | 63.2° |
| C21 | N39 | C28 | H24 | 59.6° | 56.8° |
| N39 | C28 | C30 | N41 | 46.0° | 58.4° |
| C28 | N39 | C21 | C9 | 15.3° | 63.8° |
| N39 | C28 | C30 | H23 | 120.4° | 120.0° |
| N39 | C28 | C30 | H24 | 120.4° | 120.0° |
| C28 | N39 | C27 | H21 | 174.2° | 179.3° |
| C28 | N39 | C27 | H22 | 67.0° | 60.8° |
| N39 | C28 | H23 | H24 | 118.6° | 120.1° |
| N39 | C28 | C30 | H27 | 166.9° | 61.6° |
| N39 | C28 | C30 | H28 | 74.9° | 178.4° |
| N41 | C30 | C28 | H27 | 120.9° | 119.9° |
| N41 | C30 | C28 | H28 | 120.9° | 120.0° |
| C30 | N41 | C35 | C33 | 86.4° | 66.2° |
| N41 | C30 | C28 | H23 | 166.4° | 61.6° |
| N41 | C30 | C28 | H24 | 74.4° | 178.4° |
| C30 | N41 | C29 | H25 | 170.9° | 179.3° |
| C30 | N41 | C29 | H26 | 69.6° | 60.7° |
| N41 | C30 | H27 | H28 | 117.2° | 120.1° |
| C30 | N41 | C35 | H38 | 34.2° | 173.9° |
| C30 | N41 | C35 | H39 | 153.0° | 53.8° |
| C35 | N41 | C30 | C28 | 79.2° | 64.6° |
| N41 | C35 | C33 | H38 | 120.6° | 120.0° |
| N41 | C35 | C33 | H39 | 120.6° | 120.0° |
| N41 | C35 | C33 | N38 | 148.9° | 180.0° |
| C35 | N41 | C29 | H25 | 43.3° | 55.5° |
| C35 | N41 | C29 | H26 | 162.7° | 175.5° |
| C35 | N41 | C30 | H27 | 41.6° | 175.5° |
| C35 | N41 | C30 | H28 | 159.8° | 55.4° |
| N41 | C35 | C33 | H34 | 90.9° | 60.0° |
| N41 | C35 | C33 | H35 | 28.6° | 60.0° |
| N41 | C35 | H38 | H39 | 118.1° | 120.0° |
| C21 | C9 | C5 | C3 | 1.1° | 0.6° |
| C21 | C9 | C5 | H8 | 180.0° | 180.0° |
| C21 | C9 | C5 | H3 | 178.9° | 180.0° |
| C30 | C28 | H23 | H24 | 118.7° | 120.0° |
| C28 | C30 | H27 | H28 | 117.2° | 120.0° |
| C3 | C5 | C9 | H3 | 180.0° | 179.4° |
| C5 | C3 | C7 | H1 | 179.3° | 180.0° |
| C3 | C5 | C9 | H8 | 178.9° | 179.4° |
| C35 | C33 | N38 | H34 | 120.2° | 120.1° |
| C35 | C33 | N38 | H35 | 120.3° | 120.0° |
| C35 | C33 | N38 | C13 | 72.9° | 94.9° |
| C35 | C33 | N38 | C20 | 105.9° | 85.5° |
| C35 | C33 | H34 | H35 | 119.3° | 120.0° |
| C33 | C35 | H38 | H39 | 118.1° | 120.0° |
| C9 | C5 | C3 | H5 | 179.3° | 179.5° |
| C33 | N38 | C13 | C20 | 178.9° | 179.6° |
| C33 | N38 | C13 | C19 | 179.4° | 180.0° |
| C33 | N38 | C20 | C8 | 1.0° | 0.3° |
| C33 | N38 | C20 | C15 | 179.0° | 180.0° |
| C33 | N38 | C13 | H12 | 0.6° | 0.2° |
| N38 | C33 | H34 | H35 | 119.3° | 120.0° |
| N38 | C33 | C35 | H38 | 28.3° | 60.1° |
| N38 | C33 | C35 | H39 | 90.5° | 60.0° |
| N38 | C13 | C19 | H12 | 180.0° | 179.9° |
| C13 | N38 | C20 | C8 | 179.8° | 179.9° |
| C13 | N38 | C20 | C15 | 0.1° | 0.4° |
| N38 | C13 | C19 | C15 | 0.6° | 0.2° |
| N38 | C13 | C19 | C31 | 180.0° | 179.8° |
| C13 | N38 | C33 | H34 | 47.3° | 145.0° |
| C13 | N38 | C33 | H35 | 166.9° | 25.0° |
| C20 | N38 | C13 | C19 | 0.5° | 0.3° |
| N38 | C20 | C8 | C15 | 180.0° | 179.7° |
| N38 | C20 | C8 | C4 | 179.8° | 179.9° |
| N38 | C20 | C15 | C19 | 0.3° | 0.2° |
| N38 | C20 | C15 | C6 | 179.5° | 179.8° |
| N38 | C20 | C8 | H7 | 0.2° | 0.6° |
| C20 | N38 | C13 | H12 | 179.5° | 179.8° |
| C20 | N38 | C33 | H34 | 133.9° | 34.6° |
| C20 | N38 | C33 | H35 | 14.4° | 154.5° |
| C13 | C19 | C15 | C20 | 0.5° | 0.0° |
| C13 | C19 | C15 | C31 | 179.4° | 179.9° |
| C13 | C19 | C15 | C6 | 179.6° | 179.9° |
| C13 | C19 | C31 | H29 | 90.3° | 90.0° |
| C13 | C19 | C31 | H30 | 149.7° | 150.0° |
| C13 | C19 | C31 | H31 | 29.7° | 30.0° |
| C20 | C8 | C4 | H7 | 180.0° | 179.4° |
| C8 | C20 | C15 | C19 | 179.8° | 180.0° |
| C8 | C20 | C15 | C6 | 0.5° | 0.1° |
| C20 | C8 | C4 | C2 | 0.0° | 0.6° |
| C20 | C8 | C4 | H4 | 180.0° | 180.0° |
| C15 | C20 | C8 | C4 | 0.2° | 0.3° |
| C20 | C15 | C19 | C6 | 179.0° | 179.9° |
| C20 | C15 | C19 | C31 | 180.0° | 180.0° |
| C20 | C15 | C6 | C2 | 0.6° | 0.1° |
| C20 | C15 | C6 | H2 | 179.4° | 179.7° |
| C15 | C20 | C8 | H7 | 179.8° | 179.7° |
| C8 | C4 | C2 | H4 | 180.0° | 179.4° |
| C8 | C4 | C2 | C6 | 0.0° | 0.6° |
| C8 | C4 | C2 | H6 | 180.0° | 179.4° |
| C19 | C15 | C6 | C2 | 179.5° | 179.9° |
| C19 | C15 | C6 | H2 | 0.5° | 0.5° |
| C15 | C19 | C13 | H12 | 179.4° | 180.0° |
| C15 | C19 | C31 | H29 | 90.4° | 89.9° |
| C15 | C19 | C31 | H30 | 29.6° | 30.0° |
| C15 | C19 | C31 | H31 | 149.6° | 150.0° |
| C31 | C19 | C15 | C6 | 1.0° | 0.1° |
| C31 | C19 | C13 | H12 | 0.1° | 0.1° |
| C19 | C31 | H29 | H30 | 120.0° | 120.0° |
| C19 | C31 | H29 | H31 | 120.0° | 120.0° |
| C19 | C31 | H30 | H31 | 120.0° | 120.0° |
| C15 | C6 | C2 | C4 | 0.3° | 0.3° |
| C15 | C6 | C2 | H2 | 180.0° | 179.6° |
| C15 | C6 | C2 | H6 | 179.7° | 179.7° |
| C4 | C2 | C6 | H6 | 180.0° | 180.0° |
| C4 | C2 | C6 | H2 | 179.7° | 179.9° |
| C2 | C4 | C8 | H7 | 180.0° | 180.0° |
| C6 | C2 | C4 | H4 | 179.9° | 180.0° |
| H1 | C7 | C3 | H5 | 0.7° | 0.1° |
| H2 | C6 | C2 | H6 | 0.3° | 0.1° |
| H3 | C5 | C3 | H5 | 0.6° | 0.1° |
| H3 | C5 | C9 | H8 | 1.1° | 0.0° |
| H4 | C4 | C2 | H6 | 0.0° | 0.0° |
| H4 | C4 | C8 | H7 | 0.0° | 0.6° |
| H13 | C23 | C24 | H15 | 101.5° | 122.2° |
| H13 | C23 | C24 | H16 | 20.6° | 0.1° |
| H13 | C23 | C25 | H17 | 8.5° | 23.9° |
| H13 | C23 | C25 | H18 | 130.2° | 98.3° |
| H14 | C23 | C24 | H15 | 19.8° | 0.1° |
| H14 | C23 | C24 | H16 | 141.9° | 122.0° |
| H14 | C23 | C25 | H17 | 112.8° | 146.1° |
| H14 | C23 | C25 | H18 | 8.8° | 23.9° |
| H15 | C24 | C26 | H19 | 41.9° | 23.8° |
| H15 | C24 | C26 | H20 | 81.0° | 146.1° |
| H16 | C24 | C26 | H19 | 164.0° | 98.3° |
| H16 | C24 | C26 | H20 | 41.1° | 23.9° |
| H21 | C27 | C29 | H25 | 64.3° | 61.7° |
| H21 | C27 | C29 | H26 | 55.2° | 58.4° |
| H22 | C27 | C29 | H25 | 54.5° | 58.4° |
| H22 | C27 | C29 | H26 | 174.0° | 178.4° |
| H23 | C28 | C30 | H27 | 72.7° | 178.4° |
| H23 | C28 | C30 | H28 | 45.5° | 58.4° |
| H24 | C28 | C30 | H27 | 46.4° | 58.5° |
| H24 | C28 | C30 | H28 | 164.7° | 61.6° |
| H29 | C31 | H30 | H31 | 120.0° | 119.9° |
| H32 | C32 | C34 | H36 | 166.2° | 60.0° |
| H32 | C32 | C34 | H37 | 75.4° | 180.0° |
| H32 | C32 | C36 | H40 | 54.3° | 180.0° |
| H32 | C32 | C36 | H41 | 64.9° | 60.0° |
| H33 | C32 | C34 | H36 | 47.9° | 180.0° |
| H33 | C32 | C34 | H37 | 166.4° | 60.0° |
| H33 | C32 | C36 | H40 | 172.6° | 60.0° |
| H33 | C32 | C36 | H41 | 53.4° | 179.9° |
| H34 | C33 | C35 | H38 | 148.5° | 60.0° |
| H34 | C33 | C35 | H39 | 29.7° | 180.0° |
| H35 | C33 | C35 | H38 | 92.0° | 180.0° |
| H35 | C33 | C35 | H39 | 149.2° | 60.0° |
| H40 | C36 | N42 | H44 | 158.5° | 120.0° |
| H41 | C36 | N42 | H44 | 39.2° | 120.0° |
