A1AOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C51 | sing | 1.51Å | 1.48Å | |
| N1 | N2 | sing | 1.37Å | 1.36Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | N3 | sing | 1.46Å | 1.45Å | |
| C6 | C21 | sing | 1.53Å | 1.54Å | |
| N3 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | N4 | sing | 1.47Å | 1.48Å | |
| C8 | C18 | sing | 1.53Å | 1.53Å | |
| N4 | C9 | sing | 1.35Å | 1.34Å | |
| N4 | C17 | sing | 1.46Å | 1.48Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C16 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C12 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C13 | sing | 1.35Å | 1.33Å | |
| N5 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C28 | sing | 1.48Å | 1.49Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | O5 | sing | 1.36Å | 1.37Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.39Å | Aromatic |
| C30 | C45 | sing | 1.46Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | N6 | sing | 1.38Å | 1.34Å | Aromatic |
| C32 | C33 | doub | 1.37Å | 1.40Å | Aromatic |
| N6 | C34 | sing | 1.47Å | 1.47Å | |
| N6 | C36 | sing | 1.38Å | 1.35Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.48Å | 1.49Å | |
| C36 | C45 | doub | 1.36Å | 1.48Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C37 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.51Å | 1.48Å | |
| C38 | N7 | sing | 1.32Å | 1.35Å | Aromatic |
| C39 | O6 | sing | 1.43Å | 1.44Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| O6 | C40 | sing | 1.43Å | 1.42Å | |
| N7 | C42 | doub | 1.32Å | 1.34Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C49 | sing | 1.53Å | 1.52Å | |
| C47 | C50 | sing | 1.53Å | 1.51Å | |
| C50 | O7 | sing | 1.45Å | 1.43Å | |
| O7 | C51 | sing | 1.34Å | 1.42Å | |
| C51 | O8 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | 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 | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.08Å | 1.08Å | |
| C43 | H54 | sing | 1.08Å | 1.08Å | |
| C44 | H55 | sing | 1.08Å | 1.08Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C48 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C49 | H61 | sing | 1.09Å | 1.10Å | |
| C49 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | H62 | sing | 1.09Å | 1.10Å | |
| C50 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 109.5° | 111.7° |
| C1 | C2 | N1 | 112.1° | 109.7° |
| C1 | C2 | C51 | 107.0° | 110.1° |
| C2 | C1 | H1 | 109.5° | 109.1° |
| C2 | C1 | H2 | 109.4° | 109.1° |
| C1 | C2 | H3 | 109.0° | 109.7° |
| C1 | C4 | C3 | 110.4° | 111.0° |
| C4 | C1 | H1 | 109.4° | 109.0° |
| C4 | C1 | H2 | 109.5° | 109.0° |
| C1 | C4 | H7 | 109.2° | 109.1° |
| C1 | C4 | H8 | 109.2° | 109.2° |
| N1 | C2 | C51 | 108.9° | 108.6° |
| C2 | N1 | N2 | 110.6° | 110.5° |
| N1 | C2 | H3 | 109.9° | 109.4° |
| C2 | N1 | H4 | 109.2° | 111.0° |
| C2 | C51 | O7 | 115.6° | 119.0° |
| C2 | C51 | O8 | 125.2° | 120.5° |
| C51 | C2 | H3 | 109.7° | 109.2° |
| N1 | N2 | C3 | 118.2° | 119.2° |
| N1 | N2 | C5 | 117.3° | 119.9° |
| N2 | N1 | H4 | 109.2° | 111.0° |
| C3 | N2 | C5 | 124.5° | 120.9° |
| N2 | C3 | C4 | 108.3° | 108.4° |
| N2 | C3 | H6 | 109.8° | 109.7° |
| N2 | C3 | H5 | 109.8° | 109.7° |
| N2 | C5 | O1 | 121.0° | 120.2° |
| N2 | C5 | C6 | 118.4° | 119.6° |
| C4 | C3 | H6 | 109.8° | 109.7° |
| C4 | C3 | H5 | 109.8° | 109.7° |
| C3 | C4 | H7 | 109.3° | 109.2° |
| C3 | C4 | H8 | 109.3° | 109.2° |
| O1 | C5 | C6 | 120.6° | 120.2° |
| C5 | C6 | N3 | 110.4° | 109.4° |
| C5 | C6 | C21 | 108.9° | 109.9° |
| C5 | C6 | H9 | 109.0° | 109.4° |
| N3 | C6 | C21 | 110.0° | 109.4° |
| C6 | N3 | C7 | 122.0° | 120.0° |
| N3 | C6 | H9 | 109.7° | 109.4° |
| C6 | N3 | H10 | 119.0° | 120.0° |
| C6 | C21 | C22 | 110.6° | 109.5° |
| C6 | C21 | H32 | 109.2° | 109.4° |
| C6 | C21 | H33 | 109.2° | 109.5° |
| C21 | C6 | H9 | 108.6° | 109.3° |
| N3 | C7 | C8 | 116.1° | 120.0° |
| N3 | C7 | O4 | 123.0° | 120.0° |
| C7 | N3 | H10 | 119.0° | 120.0° |
| C8 | C7 | O4 | 120.9° | 120.0° |
| C7 | C8 | N4 | 107.1° | 109.5° |
| C7 | C8 | C18 | 112.3° | 109.5° |
| C7 | C8 | H11 | 107.9° | 109.5° |
| N4 | C8 | C18 | 113.4° | 109.4° |
| C8 | N4 | C9 | 116.6° | 120.0° |
| C8 | N4 | C17 | 119.8° | 120.0° |
| N4 | C8 | H11 | 108.3° | 109.4° |
| C8 | C18 | C19 | 109.2° | 109.5° |
| C8 | C18 | C20 | 111.5° | 109.5° |
| C8 | C18 | H25 | 108.9° | 109.4° |
| C18 | C8 | H11 | 107.6° | 109.5° |
| C9 | N4 | C17 | 123.4° | 120.0° |
| N4 | C9 | C10 | 116.9° | 120.0° |
| N4 | C9 | O3 | 122.2° | 120.0° |
| N4 | C17 | H22 | 109.5° | 109.4° |
| N4 | C17 | H23 | 109.5° | 109.5° |
| N4 | C17 | H24 | 109.4° | 109.5° |
| C10 | C9 | O3 | 120.9° | 120.0° |
| C9 | C10 | C11 | 111.7° | 111.0° |
| C9 | C10 | C16 | 109.8° | 111.0° |
| C9 | C10 | H12 | 110.7° | 110.9° |
| C11 | C10 | C16 | 103.1° | 101.6° |
| C10 | C11 | C12 | 103.9° | 102.9° |
| C11 | C10 | H12 | 110.7° | 111.0° |
| C10 | C11 | H13 | 110.8° | 110.7° |
| C10 | C11 | H14 | 110.9° | 110.7° |
| C10 | C16 | N5 | 101.7° | 104.8° |
| C16 | C10 | H12 | 110.6° | 111.0° |
| C10 | C16 | H21 | 111.4° | 110.4° |
| C10 | C16 | H20 | 111.4° | 110.4° |
| C11 | C12 | N5 | 103.0° | 107.2° |
| C12 | C11 | H13 | 110.8° | 110.7° |
| C12 | C11 | H14 | 110.9° | 110.7° |
| C11 | C12 | H15 | 111.1° | 109.9° |
| C11 | C12 | H16 | 111.1° | 109.9° |
| C12 | N5 | C13 | 121.7° | 125.6° |
| C12 | N5 | C16 | 113.1° | 108.7° |
| N5 | C12 | H15 | 111.1° | 109.9° |
| N5 | C12 | H16 | 111.1° | 109.9° |
| C13 | N5 | C16 | 125.1° | 125.7° |
| N5 | C13 | O2 | 121.2° | 120.0° |
| N5 | C13 | C14 | 119.3° | 120.0° |
| N5 | C16 | H21 | 111.4° | 110.4° |
| N5 | C16 | H20 | 111.4° | 110.4° |
| O2 | C13 | C14 | 119.4° | 120.0° |
| C13 | C14 | C15 | 109.3° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C15 | C14 | H141 | 109.5° | 109.4° |
| C15 | C14 | H17 | 109.5° | 109.4° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C19 | C18 | C20 | 109.3° | 109.5° |
| C19 | C18 | H25 | 108.9° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.4° |
| C18 | C19 | H27 | 109.5° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C20 | C18 | H25 | 109.0° | 109.5° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| C18 | C20 | H30 | 109.4° | 109.5° |
| C18 | C20 | H31 | 109.5° | 109.5° |
| C21 | C22 | C23 | 119.1° | 119.8° |
| C21 | C22 | C27 | 121.1° | 120.0° |
| C22 | C21 | H32 | 109.2° | 109.5° |
| C22 | C21 | H33 | 109.2° | 109.5° |
| C23 | C22 | C27 | 119.8° | 120.2° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C22 | C23 | H34 | 120.0° | 120.0° |
| C22 | C27 | C26 | 120.7° | 120.2° |
| C22 | C27 | H37 | 119.7° | 119.9° |
| C23 | C24 | C25 | 119.4° | 119.8° |
| C23 | C24 | C28 | 121.5° | 120.1° |
| C24 | C23 | H34 | 120.0° | 120.0° |
| C25 | C24 | C28 | 119.0° | 120.1° |
| C24 | C25 | C26 | 120.1° | 119.8° |
| C24 | C25 | H35 | 120.0° | 120.1° |
| C24 | C28 | C29 | 121.3° | 120.0° |
| C24 | C28 | C33 | 119.5° | 119.9° |
| C25 | C26 | O5 | 122.0° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C26 | C25 | H35 | 119.9° | 120.1° |
| O5 | C26 | C27 | 118.1° | 120.0° |
| C26 | O5 | H36 | 109.5° | 114.0° |
| C26 | C27 | H37 | 119.6° | 119.9° |
| C29 | C28 | C33 | 119.1° | 120.1° |
| C28 | C29 | C30 | 119.9° | 119.4° |
| C28 | C29 | H38 | 120.0° | 120.3° |
| C28 | C33 | C32 | 120.8° | 120.7° |
| C28 | C33 | H40 | 119.6° | 119.7° |
| C29 | C30 | C31 | 120.3° | 119.9° |
| C29 | C30 | C45 | 130.7° | 133.8° |
| C30 | C29 | H38 | 120.0° | 120.3° |
| C31 | C30 | C45 | 109.0° | 106.3° |
| C30 | C31 | C32 | 120.2° | 119.6° |
| C30 | C31 | N6 | 109.0° | 107.4° |
| C30 | C45 | C36 | 103.9° | 106.9° |
| C30 | C45 | C46 | 130.0° | 126.7° |
| C32 | C31 | N6 | 130.7° | 133.0° |
| C31 | C32 | C33 | 119.5° | 120.2° |
| C31 | C32 | H39 | 120.3° | 119.9° |
| C31 | N6 | C34 | 123.8° | 125.1° |
| C31 | N6 | C36 | 110.1° | 109.8° |
| C33 | C32 | H39 | 120.2° | 119.9° |
| C32 | C33 | H40 | 119.6° | 119.6° |
| C34 | N6 | C36 | 125.6° | 125.1° |
| N6 | C34 | C35 | 106.7° | 109.5° |
| N6 | C34 | H42 | 110.2° | 109.4° |
| N6 | C34 | H41 | 110.1° | 109.4° |
| N6 | C36 | C37 | 126.2° | 125.2° |
| N6 | C36 | C45 | 107.9° | 109.6° |
| C35 | C34 | H42 | 110.2° | 109.5° |
| C35 | C34 | H41 | 110.2° | 109.5° |
| C34 | C35 | H44 | 109.5° | 109.5° |
| C34 | C35 | H45 | 109.4° | 109.5° |
| C34 | C35 | H43 | 109.5° | 109.5° |
| C37 | C36 | C45 | 125.8° | 125.1° |
| C36 | C37 | C38 | 122.8° | 120.6° |
| C36 | C37 | C44 | 117.0° | 120.5° |
| C36 | C45 | C46 | 125.8° | 126.4° |
| C38 | C37 | C44 | 120.1° | 118.9° |
| C37 | C38 | C39 | 124.7° | 119.7° |
| C37 | C38 | N7 | 119.3° | 120.6° |
| C37 | C44 | C43 | 118.6° | 118.3° |
| C37 | C44 | H55 | 120.7° | 120.9° |
| C39 | C38 | N7 | 115.9° | 119.7° |
| C38 | C39 | O6 | 105.0° | 109.4° |
| C38 | C39 | C41 | 111.9° | 109.5° |
| C38 | C39 | H46 | 110.4° | 109.5° |
| C38 | N7 | C42 | 121.4° | 121.9° |
| O6 | C39 | C41 | 108.7° | 109.5° |
| C39 | O6 | C40 | 112.0° | 114.0° |
| O6 | C39 | H46 | 111.0° | 109.5° |
| C41 | C39 | H46 | 109.7° | 109.4° |
| C39 | C41 | H51 | 109.5° | 109.5° |
| C39 | C41 | H52 | 109.4° | 109.5° |
| C39 | C41 | H50 | 109.5° | 109.5° |
| O6 | C40 | H49 | 109.5° | 109.5° |
| O6 | C40 | H47 | 109.4° | 109.5° |
| O6 | C40 | H48 | 109.5° | 109.5° |
| N7 | C42 | C43 | 121.3° | 121.1° |
| N7 | C42 | H53 | 119.4° | 119.5° |
| C42 | C43 | C44 | 119.3° | 119.3° |
| C43 | C42 | H53 | 119.4° | 119.4° |
| C42 | C43 | H54 | 120.4° | 120.3° |
| C44 | C43 | H54 | 120.3° | 120.4° |
| C43 | C44 | H55 | 120.7° | 120.8° |
| C45 | C46 | C47 | 119.7° | 109.9° |
| C45 | C46 | H56 | 106.8° | 109.4° |
| C45 | C46 | H57 | 106.9° | 109.4° |
| C46 | C47 | C48 | 107.3° | 109.5° |
| C46 | C47 | C49 | 111.0° | 109.5° |
| C46 | C47 | C50 | 112.5° | 109.5° |
| C47 | C46 | H56 | 106.9° | 109.4° |
| C47 | C46 | H57 | 106.8° | 109.4° |
| C48 | C47 | C49 | 108.5° | 109.5° |
| C48 | C47 | C50 | 108.7° | 109.4° |
| C47 | C48 | H59 | 109.5° | 109.5° |
| C47 | C48 | H60 | 109.4° | 109.5° |
| C47 | C48 | H58 | 109.5° | 109.5° |
| C49 | C47 | C50 | 108.6° | 109.4° |
| C47 | C49 | H61 | 109.5° | 109.5° |
| C47 | C49 | H63 | 109.5° | 109.4° |
| C47 | C49 | H62 | 109.5° | 109.4° |
| C47 | C50 | O7 | 105.9° | 109.6° |
| C47 | C50 | H64 | 110.3° | 109.4° |
| C47 | C50 | H65 | 110.3° | 109.4° |
| C50 | O7 | C51 | 118.3° | 117.3° |
| O7 | C50 | H64 | 110.4° | 109.4° |
| O7 | C50 | H65 | 110.4° | 109.5° |
| O7 | C51 | O8 | 119.2° | 120.5° |
| H1 | C1 | H2 | 109.4° | 108.9° |
| H13 | C11 | H14 | 109.5° | 110.8° |
| H15 | C12 | H16 | 109.5° | 110.0° |
| H141 | C14 | H17 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.4° |
| H19 | C15 | H151 | 109.4° | 109.5° |
| H18 | C15 | H151 | 109.5° | 109.4° |
| H21 | C16 | H20 | 109.5° | 110.3° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H22 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.4° |
| H26 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H29 | C20 | H31 | 109.5° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.4° |
| H32 | C21 | H33 | 109.4° | 109.4° |
| H6 | C3 | H5 | 109.4° | 109.7° |
| H42 | C34 | H41 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.5° |
| H44 | C35 | H43 | 109.5° | 109.5° |
| H45 | C35 | H43 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.1° |
| H49 | C40 | H47 | 109.4° | 109.4° |
| H49 | C40 | H48 | 109.5° | 109.4° |
| H47 | C40 | H48 | 109.5° | 109.5° |
| H51 | C41 | H52 | 109.5° | 109.5° |
| H51 | C41 | H50 | 109.5° | 109.5° |
| H52 | C41 | H50 | 109.5° | 109.5° |
| H56 | C46 | H57 | 109.5° | 109.4° |
| H59 | C48 | H60 | 109.5° | 109.5° |
| H59 | C48 | H58 | 109.4° | 109.5° |
| H60 | C48 | H58 | 109.5° | 109.4° |
| H61 | C49 | H63 | 109.5° | 109.4° |
| H61 | C49 | H62 | 109.5° | 109.6° |
| H63 | C49 | H62 | 109.5° | 109.5° |
| H64 | C50 | H65 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 120.0° | 120.6° |
| C2 | C1 | C4 | H2 | 120.0° | 120.6° |
| C1 | C2 | N1 | C51 | 118.3° | 120.4° |
| C1 | C2 | N1 | H3 | 121.5° | 120.4° |
| C1 | C2 | C51 | H3 | 118.2° | 120.6° |
| C1 | C2 | N1 | N2 | 54.4° | 65.7° |
| C2 | C1 | C4 | C3 | 53.1° | 23.8° |
| C1 | C2 | C51 | O7 | 63.5° | 158.6° |
| C1 | C2 | C51 | O8 | 115.8° | 21.5° |
| C2 | C1 | H1 | H2 | 120.0° | 118.9° |
| C2 | C1 | C4 | H7 | 173.3° | 96.6° |
| C2 | C1 | C4 | H8 | 67.0° | 144.2° |
| C1 | C2 | N1 | H4 | 174.6° | 170.7° |
| C4 | C1 | C2 | N1 | 53.8° | 35.4° |
| C4 | C1 | C2 | C51 | 173.2° | 154.9° |
| C1 | C4 | C3 | N2 | 52.0° | 57.2° |
| C1 | C4 | C3 | H7 | 120.2° | 120.3° |
| C1 | C4 | C3 | H8 | 120.1° | 120.4° |
| C4 | C1 | H1 | H2 | 120.0° | 118.8° |
| C4 | C1 | C2 | H3 | 68.2° | 84.8° |
| C1 | C4 | C3 | H6 | 171.9° | 176.9° |
| C1 | C4 | C3 | H5 | 67.8° | 62.6° |
| C1 | C4 | H7 | H8 | 119.5° | 119.2° |
| N1 | C2 | C51 | H3 | 120.4° | 119.2° |
| C2 | N1 | N2 | H4 | 120.2° | 123.6° |
| C2 | N1 | N2 | C3 | 57.8° | 30.8° |
| C2 | N1 | N2 | C5 | 123.3° | 148.9° |
| N1 | C2 | C51 | O7 | 175.1° | 38.4° |
| N1 | C2 | C51 | O8 | 5.5° | 141.7° |
| N1 | C2 | C1 | H1 | 66.2° | 85.2° |
| N1 | C2 | C1 | H2 | 173.9° | 156.0° |
| C51 | C2 | N1 | N2 | 172.7° | 173.9° |
| C2 | C51 | O7 | C50 | 169.7° | 178.7° |
| C2 | C51 | O7 | O8 | 179.4° | 179.9° |
| C51 | C2 | C1 | H1 | 53.2° | 34.4° |
| C51 | C2 | C1 | H2 | 66.8° | 84.5° |
| C51 | C2 | N1 | H4 | 67.2° | 50.3° |
| N1 | N2 | C3 | C5 | 178.8° | 179.8° |
| N1 | N2 | C3 | C4 | 56.8° | 29.8° |
| N1 | N2 | C5 | O1 | 179.8° | 179.3° |
| N1 | N2 | C5 | C6 | 1.1° | 0.8° |
| N2 | N1 | C2 | H3 | 67.1° | 54.7° |
| N1 | N2 | C3 | H6 | 176.6° | 149.6° |
| N1 | N2 | C3 | H5 | 63.0° | 89.9° |
| N2 | C3 | C4 | H6 | 119.8° | 119.7° |
| N2 | C3 | C4 | H5 | 119.9° | 119.7° |
| C3 | N2 | C5 | O1 | 1.4° | 1.0° |
| C3 | N2 | C5 | C6 | 177.7° | 179.0° |
| N2 | C3 | H6 | H5 | 120.6° | 120.5° |
| N2 | C3 | C4 | H7 | 172.2° | 63.2° |
| N2 | C3 | C4 | H8 | 68.1° | 177.6° |
| C3 | N2 | N1 | H4 | 178.0° | 154.4° |
| C5 | N2 | C3 | C4 | 124.4° | 150.4° |
| N2 | C5 | O1 | C6 | 179.0° | 179.9° |
| N2 | C5 | C6 | N3 | 154.8° | 55.4° |
| N2 | C5 | C6 | C21 | 84.3° | 175.5° |
| C5 | N2 | C3 | H6 | 4.6° | 30.6° |
| C5 | N2 | C3 | H5 | 115.8° | 89.9° |
| N2 | C5 | C6 | H9 | 34.1° | 64.5° |
| C5 | N2 | N1 | H4 | 3.1° | 25.3° |
| C3 | C4 | C1 | H1 | 66.9° | 144.4° |
| C3 | C4 | C1 | H2 | 173.1° | 96.9° |
| C4 | C3 | H6 | H5 | 120.5° | 120.5° |
| C3 | C4 | H7 | H8 | 119.6° | 119.3° |
| O1 | C5 | C6 | N3 | 24.2° | 124.7° |
| O1 | C5 | C6 | C21 | 96.7° | 4.6° |
| O1 | C5 | C6 | H9 | 144.9° | 115.5° |
| C5 | C6 | N3 | C21 | 120.3° | 120.5° |
| C5 | C6 | N3 | H9 | 120.3° | 119.8° |
| C5 | C6 | C21 | H9 | 118.7° | 120.1° |
| C5 | C6 | N3 | C7 | 111.8° | 56.8° |
| C5 | C6 | C21 | C22 | 146.1° | 165.1° |
| C5 | C6 | C21 | H32 | 93.7° | 45.0° |
| C5 | C6 | C21 | H33 | 25.9° | 74.9° |
| C5 | C6 | N3 | H10 | 68.1° | 123.2° |
| N3 | C6 | C21 | H9 | 120.1° | 119.8° |
| C6 | N3 | C7 | H10 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 170.2° | 175.1° |
| C6 | N3 | C7 | O4 | 6.2° | 4.9° |
| N3 | C6 | C21 | C22 | 92.7° | 74.8° |
| N3 | C6 | C21 | H32 | 27.5° | 165.1° |
| N3 | C6 | C21 | H33 | 147.1° | 45.2° |
| C21 | C6 | N3 | C7 | 127.9° | 63.7° |
| C6 | C21 | C22 | H32 | 120.2° | 120.0° |
| C6 | C21 | C22 | H33 | 120.2° | 120.0° |
| C6 | C21 | C22 | C23 | 123.3° | 6.6° |
| C6 | C21 | C22 | C27 | 55.2° | 173.5° |
| C6 | C21 | H32 | H33 | 119.5° | 120.0° |
| C21 | C6 | N3 | H10 | 52.1° | 116.3° |
| N3 | C7 | C8 | O4 | 176.5° | 179.9° |
| N3 | C7 | C8 | N4 | 111.6° | 176.5° |
| N3 | C7 | C8 | C18 | 123.3° | 63.5° |
| C7 | N3 | C6 | H9 | 8.4° | 176.6° |
| N3 | C7 | C8 | H11 | 4.8° | 56.6° |
| C7 | C8 | N4 | C18 | 124.4° | 120.0° |
| C7 | C8 | N4 | H11 | 116.1° | 120.0° |
| C7 | C8 | C18 | H11 | 118.6° | 120.0° |
| C7 | C8 | N4 | C9 | 94.8° | 124.0° |
| C7 | C8 | N4 | C17 | 79.5° | 55.9° |
| C7 | C8 | C18 | C19 | 62.2° | 177.1° |
| C7 | C8 | C18 | C20 | 176.9° | 57.0° |
| C7 | C8 | C18 | H25 | 56.5° | 62.9° |
| C8 | C7 | N3 | H10 | 9.8° | 4.9° |
| O4 | C7 | C8 | N4 | 64.9° | 3.5° |
| O4 | C7 | C8 | C18 | 60.2° | 116.5° |
| O4 | C7 | C8 | H11 | 178.7° | 123.5° |
| O4 | C7 | N3 | H10 | 173.8° | 175.1° |
| N4 | C8 | C18 | H11 | 119.8° | 119.9° |
| C8 | N4 | C9 | C17 | 174.1° | 179.9° |
| C8 | N4 | C9 | C10 | 179.8° | 174.1° |
| C8 | N4 | C9 | O3 | 1.1° | 6.0° |
| N4 | C8 | C18 | C19 | 176.2° | 57.1° |
| N4 | C8 | C18 | C20 | 55.4° | 63.0° |
| C8 | N4 | C17 | H22 | 180.0° | 94.0° |
| C8 | N4 | C17 | H23 | 60.0° | 146.1° |
| C8 | N4 | C17 | H24 | 60.0° | 26.1° |
| N4 | C8 | C18 | H25 | 65.0° | 177.1° |
| C18 | C8 | N4 | C9 | 140.8° | 116.0° |
| C18 | C8 | N4 | C17 | 44.9° | 64.1° |
| C8 | C18 | C19 | C20 | 122.2° | 120.0° |
| C8 | C18 | C19 | H25 | 118.8° | 120.0° |
| C8 | C18 | C20 | H25 | 120.3° | 119.9° |
| C8 | C18 | C19 | H26 | 180.0° | 180.0° |
| C8 | C18 | C19 | H27 | 60.0° | 60.0° |
| C8 | C18 | C19 | H28 | 60.0° | 60.0° |
| C8 | C18 | C20 | H29 | 180.0° | 74.5° |
| C8 | C18 | C20 | H30 | 60.0° | 45.6° |
| C8 | C18 | C20 | H31 | 60.0° | 165.5° |
| N4 | C9 | C10 | O3 | 178.8° | 180.0° |
| N4 | C9 | C10 | C11 | 80.7° | 70.3° |
| N4 | C9 | C10 | C16 | 165.6° | 177.5° |
| N4 | C9 | C10 | H12 | 43.1° | 53.6° |
| C9 | N4 | C17 | H22 | 6.1° | 86.1° |
| C9 | N4 | C17 | H23 | 113.9° | 33.8° |
| C9 | N4 | C17 | H24 | 126.1° | 153.9° |
| C9 | N4 | C8 | H11 | 21.4° | 4.0° |
| C17 | N4 | C9 | C10 | 5.7° | 5.8° |
| C17 | N4 | C9 | O3 | 173.0° | 174.1° |
| N4 | C17 | H22 | H23 | 120.0° | 120.0° |
| N4 | C17 | H22 | H24 | 120.0° | 120.0° |
| N4 | C17 | H23 | H24 | 120.0° | 120.0° |
| C17 | N4 | C8 | H11 | 164.3° | 175.9° |
| C9 | C10 | C11 | C16 | 117.8° | 118.0° |
| C9 | C10 | C11 | H12 | 123.9° | 123.8° |
| C9 | C10 | C16 | H12 | 122.5° | 123.8° |
| C9 | C10 | C11 | C12 | 78.5° | 153.6° |
| C9 | C10 | C16 | N5 | 85.2° | 155.1° |
| C9 | C10 | C11 | H13 | 162.4° | 88.1° |
| C9 | C10 | C11 | H14 | 40.6° | 35.2° |
| C9 | C10 | C16 | H21 | 33.5° | 36.2° |
| C9 | C10 | C16 | H20 | 156.0° | 86.0° |
| O3 | C9 | C10 | C11 | 100.6° | 109.6° |
| O3 | C9 | C10 | C16 | 13.2° | 2.6° |
| O3 | C9 | C10 | H12 | 135.6° | 126.4° |
| C11 | C10 | C16 | H12 | 118.4° | 118.1° |
| C10 | C11 | C12 | H13 | 119.1° | 118.3° |
| C10 | C11 | C12 | H14 | 119.1° | 118.4° |
| C10 | C11 | C12 | N5 | 28.3° | 22.2° |
| C11 | C10 | C16 | N5 | 33.9° | 37.0° |
| C10 | C11 | H13 | H14 | 122.6° | 123.3° |
| C10 | C11 | C12 | H15 | 147.3° | 97.2° |
| C10 | C11 | C12 | H16 | 90.6° | 141.6° |
| C11 | C10 | C16 | H21 | 152.6° | 81.8° |
| C11 | C10 | C16 | H20 | 84.9° | 156.0° |
| C16 | C10 | C11 | C12 | 39.3° | 35.5° |
| C10 | C16 | N5 | C12 | 17.1° | 24.1° |
| C10 | C16 | N5 | C13 | 159.4° | 155.9° |
| C10 | C16 | N5 | H21 | 118.7° | 118.9° |
| C10 | C16 | N5 | H20 | 118.7° | 118.9° |
| C16 | C10 | C11 | H13 | 79.8° | 153.9° |
| C16 | C10 | C11 | H14 | 158.4° | 82.8° |
| C10 | C16 | H21 | H20 | 123.6° | 122.2° |
| C11 | C12 | N5 | H15 | 119.0° | 119.4° |
| C11 | C12 | N5 | H16 | 118.9° | 119.4° |
| C11 | C12 | N5 | C13 | 176.4° | 179.0° |
| C11 | C12 | N5 | C16 | 7.0° | 1.1° |
| C12 | C11 | C10 | H12 | 157.6° | 82.6° |
| C12 | C11 | H13 | H14 | 122.6° | 123.2° |
| C11 | C12 | H15 | H16 | 123.0° | 121.1° |
| C12 | N5 | C13 | C16 | 176.2° | 179.9° |
| C12 | N5 | C13 | O2 | 6.9° | 180.0° |
| C12 | N5 | C13 | C14 | 174.8° | 0.0° |
| N5 | C12 | C11 | H13 | 90.8° | 140.5° |
| N5 | C12 | C11 | H14 | 147.4° | 96.2° |
| N5 | C12 | H15 | H16 | 123.0° | 121.1° |
| C12 | N5 | C16 | H21 | 135.8° | 94.8° |
| C12 | N5 | C16 | H20 | 101.7° | 143.0° |
| N5 | C13 | O2 | C14 | 178.2° | 180.0° |
| N5 | C13 | C14 | C15 | 141.9° | 180.0° |
| C13 | N5 | C12 | H15 | 57.4° | 59.6° |
| C13 | N5 | C12 | H16 | 64.7° | 61.6° |
| N5 | C13 | C14 | H141 | 98.1° | 60.0° |
| N5 | C13 | C14 | H17 | 22.0° | 60.0° |
| C13 | N5 | C16 | H21 | 40.7° | 85.2° |
| C13 | N5 | C16 | H20 | 81.8° | 37.0° |
| C16 | N5 | C13 | O2 | 169.3° | 0.0° |
| C16 | N5 | C13 | C14 | 9.0° | 180.0° |
| N5 | C16 | C10 | H12 | 152.2° | 81.1° |
| C16 | N5 | C12 | H15 | 126.0° | 120.4° |
| C16 | N5 | C12 | H16 | 111.9° | 118.3° |
| N5 | C16 | H21 | H20 | 123.6° | 122.3° |
| O2 | C13 | C14 | C15 | 39.8° | 0.0° |
| O2 | C13 | C14 | H141 | 80.2° | 120.0° |
| O2 | C13 | C14 | H17 | 159.7° | 120.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H17 | 120.0° | 120.0° |
| C13 | C14 | H141 | H17 | 120.1° | 120.0° |
| C13 | C14 | C15 | H19 | 180.0° | 60.0° |
| C13 | C14 | C15 | H18 | 60.0° | 180.0° |
| C13 | C14 | C15 | H151 | 60.0° | 60.0° |
| C15 | C14 | H141 | H17 | 120.0° | 119.9° |
| C14 | C15 | H19 | H18 | 120.0° | 120.0° |
| C14 | C15 | H19 | H151 | 120.0° | 120.1° |
| C14 | C15 | H18 | H151 | 120.0° | 120.0° |
| C19 | C18 | C20 | H25 | 118.9° | 120.1° |
| C18 | C19 | H26 | H27 | 120.0° | 120.0° |
| C18 | C19 | H26 | H28 | 120.0° | 120.0° |
| C18 | C19 | H27 | H28 | 120.0° | 120.1° |
| C19 | C18 | C20 | H29 | 59.2° | 45.5° |
| C19 | C18 | C20 | H30 | 60.8° | 165.6° |
| C19 | C18 | C20 | H31 | 179.2° | 74.4° |
| C19 | C18 | C8 | H11 | 56.4° | 62.9° |
| C20 | C18 | C19 | H26 | 57.8° | 60.0° |
| C20 | C18 | C19 | H27 | 177.8° | 180.0° |
| C20 | C18 | C19 | H28 | 62.3° | 60.0° |
| C18 | C20 | H29 | H30 | 120.0° | 120.1° |
| C18 | C20 | H29 | H31 | 120.0° | 120.0° |
| C18 | C20 | H30 | H31 | 120.0° | 120.0° |
| C20 | C18 | C8 | H11 | 64.4° | 177.1° |
| C21 | C22 | C23 | C27 | 178.6° | 179.9° |
| C21 | C22 | C23 | C24 | 179.7° | 179.8° |
| C21 | C22 | C27 | C26 | 179.0° | 180.0° |
| C22 | C21 | H32 | H33 | 119.5° | 120.0° |
| C21 | C22 | C23 | H34 | 0.3° | 0.1° |
| C21 | C22 | C27 | H37 | 1.0° | 0.1° |
| C22 | C21 | C6 | H9 | 27.5° | 45.0° |
| C22 | C23 | C24 | H34 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.8° | 0.3° |
| C22 | C23 | C24 | C28 | 178.4° | 179.7° |
| C23 | C22 | C27 | C26 | 0.5° | 0.2° |
| C23 | C22 | C21 | H32 | 116.5° | 113.4° |
| C23 | C22 | C21 | H33 | 3.1° | 126.6° |
| C23 | C22 | C27 | H37 | 179.5° | 179.9° |
| C27 | C22 | C23 | C24 | 1.1° | 0.3° |
| C22 | C27 | C26 | C25 | 0.6° | 0.0° |
| C22 | C27 | C26 | O5 | 179.8° | 180.0° |
| C22 | C27 | C26 | H37 | 180.0° | 179.9° |
| C27 | C22 | C21 | H32 | 64.9° | 66.5° |
| C27 | C22 | C21 | H33 | 175.4° | 53.5° |
| C27 | C22 | C23 | H34 | 178.9° | 179.7° |
| C23 | C24 | C25 | C28 | 176.7° | 180.0° |
| C23 | C24 | C25 | C26 | 1.9° | 0.1° |
| C23 | C24 | C28 | C29 | 23.1° | 2.6° |
| C23 | C24 | C28 | C33 | 160.2° | 177.3° |
| C23 | C24 | C25 | H35 | 178.1° | 179.9° |
| C24 | C25 | C26 | H35 | 180.0° | 180.0° |
| C24 | C25 | C26 | O5 | 179.5° | 180.0° |
| C24 | C25 | C26 | C27 | 1.3° | 0.0° |
| C25 | C24 | C28 | C29 | 153.5° | 177.4° |
| C25 | C24 | C28 | C33 | 23.2° | 2.7° |
| C25 | C24 | C23 | H34 | 178.2° | 179.7° |
| C28 | C24 | C25 | C26 | 178.6° | 179.9° |
| C24 | C28 | C29 | C33 | 176.6° | 179.9° |
| C24 | C28 | C29 | C30 | 178.0° | 179.7° |
| C24 | C28 | C33 | C32 | 179.1° | 179.3° |
| C28 | C24 | C23 | H34 | 1.6° | 0.3° |
| C28 | C24 | C25 | H35 | 1.4° | 0.1° |
| C24 | C28 | C29 | H38 | 2.0° | 0.3° |
| C24 | C28 | C33 | H40 | 0.9° | 0.7° |
| C25 | C26 | O5 | C27 | 179.2° | 180.0° |
| C25 | C26 | C27 | H37 | 179.4° | 179.9° |
| C25 | C26 | O5 | H36 | 180.0° | 90.0° |
| O5 | C26 | C25 | H35 | 0.5° | 0.0° |
| O5 | C26 | C27 | H37 | 0.2° | 0.1° |
| C27 | C26 | C25 | H35 | 178.7° | 180.0° |
| C27 | C26 | O5 | H36 | 0.8° | 90.0° |
| C28 | C29 | C30 | H38 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.7° |
| C28 | C29 | C30 | C45 | 179.3° | 179.0° |
| C29 | C28 | C33 | C32 | 2.4° | 0.7° |
| C29 | C28 | C33 | H40 | 177.6° | 179.4° |
| C33 | C28 | C29 | C30 | 1.4° | 0.2° |
| C28 | C33 | C32 | C31 | 2.1° | 0.2° |
| C28 | C33 | C32 | H40 | 180.0° | 180.0° |
| C33 | C28 | C29 | H38 | 178.6° | 179.8° |
| C28 | C33 | C32 | H39 | 177.9° | 179.9° |
| C29 | C30 | C31 | C45 | 179.4° | 179.7° |
| C29 | C30 | C31 | C32 | 0.4° | 1.2° |
| C29 | C30 | C31 | N6 | 178.1° | 178.8° |
| C29 | C30 | C45 | C36 | 179.7° | 179.0° |
| C29 | C30 | C45 | C46 | 4.9° | 1.5° |
| C30 | C31 | C32 | N6 | 177.1° | 179.9° |
| C30 | C31 | C32 | C33 | 0.6° | 0.7° |
| C30 | C31 | N6 | C34 | 175.2° | 178.9° |
| C30 | C31 | N6 | C36 | 3.3° | 1.2° |
| C31 | C30 | C45 | C36 | 0.9° | 1.3° |
| C31 | C30 | C45 | C46 | 175.7° | 178.2° |
| C31 | C30 | C29 | H38 | 180.0° | 179.3° |
| C30 | C31 | C32 | H39 | 179.3° | 179.2° |
| C45 | C30 | C31 | C32 | 179.1° | 178.6° |
| C45 | C30 | C31 | N6 | 1.4° | 1.5° |
| C30 | C45 | C36 | N6 | 2.9° | 0.6° |
| C30 | C45 | C36 | C37 | 178.7° | 179.4° |
| C30 | C45 | C36 | C46 | 175.1° | 179.5° |
| C30 | C45 | C46 | C47 | 88.0° | 77.6° |
| C45 | C30 | C29 | H38 | 0.7° | 1.0° |
| C30 | C45 | C46 | H56 | 150.6° | 162.3° |
| C30 | C45 | C46 | H57 | 33.4° | 42.5° |
| C31 | C32 | C33 | H39 | 180.0° | 180.0° |
| C32 | C31 | N6 | C34 | 7.5° | 1.0° |
| C32 | C31 | N6 | C36 | 179.3° | 178.9° |
| C31 | C32 | C33 | H40 | 177.9° | 179.8° |
| N6 | C31 | C32 | C33 | 176.5° | 179.2° |
| C31 | N6 | C34 | C36 | 170.5° | 179.9° |
| C31 | N6 | C34 | C35 | 85.0° | 93.5° |
| C31 | N6 | C36 | C37 | 177.7° | 179.6° |
| C31 | N6 | C36 | C45 | 3.9° | 0.3° |
| N6 | C31 | C32 | H39 | 3.5° | 0.9° |
| C31 | N6 | C34 | H42 | 155.4° | 26.4° |
| C31 | N6 | C34 | H41 | 34.6° | 146.4° |
| N6 | C34 | C35 | H42 | 119.6° | 120.0° |
| N6 | C34 | C35 | H41 | 119.5° | 120.0° |
| C34 | N6 | C36 | C37 | 6.0° | 0.3° |
| C34 | N6 | C36 | C45 | 175.5° | 179.7° |
| N6 | C34 | H42 | H41 | 121.2° | 119.9° |
| N6 | C34 | C35 | H44 | 180.0° | 48.6° |
| N6 | C34 | C35 | H45 | 60.0° | 71.4° |
| N6 | C34 | C35 | H43 | 60.0° | 168.6° |
| C36 | N6 | C34 | C35 | 85.6° | 86.4° |
| N6 | C36 | C37 | C45 | 178.2° | 180.0° |
| N6 | C36 | C37 | C38 | 68.8° | 101.8° |
| N6 | C36 | C37 | C44 | 112.9° | 78.4° |
| N6 | C36 | C45 | C46 | 178.0° | 178.9° |
| C36 | N6 | C34 | H42 | 34.0° | 153.6° |
| C36 | N6 | C34 | H41 | 154.9° | 33.6° |
| C35 | C34 | H42 | H41 | 121.3° | 120.1° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C34 | C35 | H44 | H43 | 120.0° | 120.0° |
| C34 | C35 | H45 | H43 | 120.0° | 120.0° |
| C36 | C37 | C38 | C44 | 178.2° | 179.8° |
| C36 | C37 | C38 | C39 | 2.6° | 0.0° |
| C36 | C37 | C38 | N7 | 179.9° | 180.0° |
| C36 | C37 | C44 | C43 | 180.0° | 180.0° |
| C37 | C36 | C45 | C46 | 3.6° | 1.1° |
| C36 | C37 | C44 | H55 | 0.0° | 0.1° |
| C45 | C36 | C37 | C38 | 109.3° | 78.2° |
| C45 | C36 | C37 | C44 | 69.0° | 101.6° |
| C36 | C45 | C46 | C47 | 98.2° | 103.0° |
| C36 | C45 | C46 | H56 | 23.2° | 17.1° |
| C36 | C45 | C46 | H57 | 140.4° | 137.0° |
| C37 | C38 | C39 | N7 | 177.4° | 180.0° |
| C37 | C38 | C39 | O6 | 110.6° | 121.8° |
| C37 | C38 | C39 | C41 | 131.6° | 118.2° |
| C37 | C38 | N7 | C42 | 1.3° | 0.0° |
| C38 | C37 | C44 | C43 | 1.7° | 0.2° |
| C37 | C38 | C39 | H46 | 9.1° | 1.7° |
| C38 | C37 | C44 | H55 | 178.3° | 179.8° |
| C44 | C37 | C38 | C39 | 179.2° | 179.8° |
| C44 | C37 | C38 | N7 | 1.9° | 0.2° |
| C37 | C44 | C43 | C42 | 0.8° | 0.0° |
| C37 | C44 | C43 | H55 | 180.0° | 180.0° |
| C37 | C44 | C43 | H54 | 179.2° | 179.9° |
| C38 | C39 | O6 | C41 | 119.9° | 120.0° |
| C38 | C39 | O6 | H46 | 119.3° | 120.0° |
| C38 | C39 | C41 | H46 | 122.9° | 120.0° |
| C38 | C39 | O6 | C40 | 159.7° | 150.0° |
| C39 | C38 | N7 | C42 | 178.8° | 180.0° |
| C38 | C39 | C41 | H51 | 180.0° | 170.1° |
| C38 | C39 | C41 | H52 | 60.0° | 50.2° |
| C38 | C39 | C41 | H50 | 60.0° | 69.8° |
| N7 | C38 | C39 | O6 | 66.8° | 58.2° |
| N7 | C38 | C39 | C41 | 51.0° | 61.8° |
| C38 | N7 | C42 | C43 | 0.4° | 0.2° |
| N7 | C38 | C39 | H46 | 173.5° | 178.3° |
| C38 | N7 | C42 | H53 | 179.6° | 180.0° |
| O6 | C39 | C41 | H46 | 121.6° | 120.0° |
| C39 | O6 | C40 | H49 | 180.0° | 179.9° |
| C39 | O6 | C40 | H47 | 60.0° | 60.0° |
| C39 | O6 | C40 | H48 | 60.0° | 60.1° |
| O6 | C39 | C41 | H51 | 64.4° | 50.2° |
| O6 | C39 | C41 | H52 | 55.6° | 69.8° |
| O6 | C39 | C41 | H50 | 175.6° | 170.2° |
| C41 | C39 | O6 | C40 | 80.3° | 90.0° |
| C39 | C41 | H51 | H52 | 120.0° | 120.0° |
| C39 | C41 | H51 | H50 | 120.0° | 120.0° |
| C39 | C41 | H52 | H50 | 120.0° | 120.0° |
| C40 | O6 | C39 | H46 | 40.4° | 30.0° |
| O6 | C40 | H49 | H47 | 120.0° | 120.0° |
| O6 | C40 | H49 | H48 | 120.0° | 120.0° |
| O6 | C40 | H47 | H48 | 120.0° | 120.1° |
| N7 | C42 | C43 | H53 | 180.0° | 179.8° |
| N7 | C42 | C43 | C44 | 0.2° | 0.2° |
| N7 | C42 | C43 | H54 | 179.8° | 179.9° |
| C42 | C43 | C44 | H54 | 180.0° | 180.0° |
| C42 | C43 | C44 | H55 | 179.2° | 179.9° |
| C44 | C43 | C42 | H53 | 179.8° | 180.0° |
| C45 | C46 | C47 | H56 | 121.4° | 120.1° |
| C45 | C46 | C47 | H57 | 121.4° | 120.1° |
| C45 | C46 | C47 | C48 | 179.8° | 66.2° |
| C45 | C46 | C47 | C49 | 61.7° | 53.8° |
| C45 | C46 | C47 | C50 | 60.2° | 173.8° |
| C45 | C46 | H56 | H57 | 115.4° | 119.8° |
| C46 | C47 | C48 | C49 | 120.1° | 120.0° |
| C46 | C47 | C48 | C50 | 122.0° | 120.0° |
| C46 | C47 | C49 | C50 | 124.2° | 120.0° |
| C46 | C47 | C50 | O7 | 67.5° | 82.3° |
| C47 | C46 | H56 | H57 | 115.4° | 119.8° |
| C46 | C47 | C48 | H59 | 180.0° | 63.8° |
| C46 | C47 | C48 | H60 | 60.0° | 176.1° |
| C46 | C47 | C48 | H58 | 60.0° | 56.2° |
| C46 | C47 | C49 | H61 | 180.0° | 64.9° |
| C46 | C47 | C49 | H63 | 60.0° | 175.1° |
| C46 | C47 | C49 | H62 | 60.0° | 55.1° |
| C46 | C47 | C50 | H64 | 51.9° | 157.6° |
| C46 | C47 | C50 | H65 | 173.0° | 37.8° |
| C48 | C47 | C49 | C50 | 118.0° | 120.0° |
| C48 | C47 | C50 | O7 | 51.2° | 157.7° |
| C48 | C47 | C46 | H56 | 58.8° | 54.0° |
| C48 | C47 | C46 | H57 | 58.4° | 173.8° |
| C47 | C48 | H59 | H60 | 120.0° | 120.0° |
| C47 | C48 | H59 | H58 | 120.0° | 120.0° |
| C47 | C48 | H60 | H58 | 120.0° | 120.0° |
| C48 | C47 | C49 | H61 | 62.2° | 55.1° |
| C48 | C47 | C49 | H63 | 177.8° | 64.8° |
| C48 | C47 | C49 | H62 | 57.8° | 175.2° |
| C48 | C47 | C50 | H64 | 170.7° | 37.6° |
| C48 | C47 | C50 | H65 | 68.2° | 82.2° |
| C49 | C47 | C50 | O7 | 169.1° | 37.7° |
| C49 | C47 | C46 | H56 | 59.7° | 174.0° |
| C49 | C47 | C46 | H57 | 176.8° | 66.2° |
| C49 | C47 | C48 | H59 | 59.9° | 176.1° |
| C49 | C47 | C48 | H60 | 60.1° | 56.1° |
| C49 | C47 | C48 | H58 | 179.9° | 63.8° |
| C47 | C49 | H61 | H63 | 120.0° | 119.9° |
| C47 | C49 | H61 | H62 | 120.0° | 120.0° |
| C47 | C49 | H63 | H62 | 120.0° | 119.9° |
| C49 | C47 | C50 | H64 | 71.4° | 82.3° |
| C49 | C47 | C50 | H65 | 49.7° | 157.8° |
| C47 | C50 | O7 | H64 | 119.4° | 120.0° |
| C47 | C50 | O7 | H65 | 119.4° | 120.1° |
| C47 | C50 | O7 | C51 | 174.4° | 173.0° |
| C50 | C47 | C46 | H56 | 178.4° | 66.0° |
| C50 | C47 | C46 | H57 | 61.2° | 53.8° |
| C50 | C47 | C48 | H59 | 58.0° | 56.2° |
| C50 | C47 | C48 | H60 | 178.0° | 63.8° |
| C50 | C47 | C48 | H58 | 62.0° | 176.2° |
| C50 | C47 | C49 | H61 | 55.8° | 175.1° |
| C50 | C47 | C49 | H63 | 64.2° | 55.1° |
| C50 | C47 | C49 | H62 | 175.8° | 64.9° |
| C47 | C50 | H64 | H65 | 121.6° | 119.9° |
| C50 | O7 | C51 | O8 | 9.7° | 1.4° |
| O7 | C50 | H64 | H65 | 121.7° | 120.0° |
| O7 | C51 | C2 | H3 | 54.7° | 80.9° |
| C51 | O7 | C50 | H64 | 66.1° | 53.0° |
| C51 | O7 | C50 | H65 | 55.0° | 67.0° |
| O8 | C51 | C2 | H3 | 126.0° | 99.1° |
| H1 | C1 | C2 | H3 | 171.8° | 154.6° |
| H1 | C1 | C4 | H7 | 53.3° | 24.0° |
| H1 | C1 | C4 | H8 | 172.9° | 95.2° |
| H2 | C1 | C2 | H3 | 51.9° | 35.8° |
| H2 | C1 | C4 | H7 | 66.7° | 142.8° |
| H2 | C1 | C4 | H8 | 53.0° | 23.6° |
| H12 | C10 | C11 | H13 | 38.5° | 35.7° |
| H12 | C10 | C11 | H14 | 83.2° | 159.1° |
| H12 | C10 | C16 | H21 | 89.0° | 160.0° |
| H12 | C10 | C16 | H20 | 33.5° | 37.8° |
| H13 | C11 | C12 | H15 | 28.2° | 21.1° |
| H13 | C11 | C12 | H16 | 150.3° | 100.1° |
| H14 | C11 | C12 | H15 | 93.6° | 144.4° |
| H14 | C11 | C12 | H16 | 28.5° | 23.2° |
| H141 | C14 | C15 | H19 | 60.0° | 60.0° |
| H141 | C14 | C15 | H18 | 180.0° | 60.0° |
| H141 | C14 | C15 | H151 | 59.9° | 180.0° |
| H17 | C14 | C15 | H19 | 60.0° | 180.0° |
| H17 | C14 | C15 | H18 | 60.0° | 60.0° |
| H17 | C14 | C15 | H151 | 180.0° | 60.0° |
| H19 | C15 | H18 | H151 | 120.0° | 119.9° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
| H25 | C18 | C19 | H26 | 61.2° | 60.0° |
| H25 | C18 | C19 | H27 | 58.8° | 60.0° |
| H25 | C18 | C19 | H28 | 178.8° | 180.0° |
| H25 | C18 | C20 | H29 | 59.7° | 165.6° |
| H25 | C18 | C20 | H30 | 179.7° | 74.4° |
| H25 | C18 | C20 | H31 | 60.3° | 45.6° |
| H25 | C18 | C8 | H11 | 175.2° | 57.1° |
| H26 | C19 | H27 | H28 | 120.0° | 120.0° |
| H3 | C2 | N1 | H4 | 53.1° | 68.9° |
| H29 | C20 | H30 | H31 | 120.0° | 119.9° |
| H32 | C21 | C6 | H9 | 147.7° | 75.1° |
| H33 | C21 | C6 | H9 | 92.7° | 165.0° |
| H6 | C3 | C4 | H7 | 68.0° | 56.6° |
| H6 | C3 | C4 | H8 | 51.7° | 62.7° |
| H5 | C3 | C4 | H7 | 52.3° | 177.1° |
| H5 | C3 | C4 | H8 | 172.0° | 57.8° |
| H39 | C32 | C33 | H40 | 2.1° | 0.1° |
| H42 | C34 | C35 | H44 | 60.4° | 71.4° |
| H42 | C34 | C35 | H45 | 179.6° | 168.6° |
| H42 | C34 | C35 | H43 | 59.6° | 48.6° |
| H41 | C34 | C35 | H44 | 60.5° | 168.6° |
| H41 | C34 | C35 | H45 | 59.6° | 48.5° |
| H41 | C34 | C35 | H43 | 179.5° | 71.4° |
| H44 | C35 | H45 | H43 | 120.0° | 120.0° |
| H46 | C39 | C41 | H51 | 57.1° | 69.9° |
| H46 | C39 | C41 | H52 | 177.1° | 170.2° |
| H46 | C39 | C41 | H50 | 62.9° | 50.2° |
| H49 | C40 | H47 | H48 | 120.0° | 119.9° |
| H51 | C41 | H52 | H50 | 120.0° | 120.1° |
| H53 | C42 | C43 | H54 | 0.2° | 0.0° |
| H54 | C43 | C44 | H55 | 0.8° | 0.1° |
| H59 | C48 | H60 | H58 | 120.0° | 120.0° |
| H61 | C49 | H63 | H62 | 120.0° | 120.1° |
| H9 | C6 | N3 | H10 | 171.6° | 3.4° |
