1F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C54 | sing | 1.74Å | 1.77Å | |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| CL4 | C44 | sing | 1.74Å | 1.76Å | |
| C55 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | C5 | sing | 1.51Å | 1.52Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C5 | sing | 1.53Å | 1.54Å | |
| O10 | C10 | doub | 1.22Å | 1.24Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C46 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C4 | sing | 1.51Å | 1.50Å | |
| C10 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | N10 | sing | 1.35Å | 1.40Å | |
| C4 | C47 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.38Å | 1.44Å | |
| C28 | O27 | sing | 1.43Å | 1.42Å | |
| O27 | C26 | sing | 1.36Å | 1.37Å | |
| C14 | N10 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N3 | C2 | doub | 1.29Å | 1.29Å | |
| C2 | C21 | sing | 1.48Å | 1.48Å | |
| C26 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| N12 | C12 | sing | 1.47Å | 1.50Å | |
| N12 | C15 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C33 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | S17 | sing | 1.81Å | 1.77Å | |
| S17 | O18 | doub | 1.42Å | 1.46Å | |
| S17 | O17 | doub | 1.42Å | 1.45Å | |
| S17 | C19 | sing | 1.81Å | 1.78Å | |
| C57 | H1 | sing | 1.09Å | 1.10Å | |
| C57 | H2 | sing | 1.09Å | 1.10Å | |
| C57 | H3 | sing | 1.09Å | 1.10Å | |
| C47 | H4 | sing | 1.09Å | 1.10Å | |
| C47 | H5 | sing | 1.09Å | 1.10Å | |
| C47 | H6 | sing | 1.09Å | 1.10Å | |
| C56 | H10 | sing | 1.08Å | 1.08Å | |
| C55 | H11 | sing | 1.08Å | 1.08Å | |
| C53 | H12 | sing | 1.08Å | 1.08Å | |
| C52 | H13 | sing | 1.08Å | 1.08Å | |
| C42 | H14 | sing | 1.08Å | 1.08Å | |
| C43 | H15 | sing | 1.08Å | 1.08Å | |
| C45 | H16 | sing | 1.08Å | 1.08Å | |
| C46 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H46 | sing | 1.09Å | 1.10Å | |
| C17 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C19 | H49 | sing | 1.09Å | 1.10Å | |
| C19 | H50 | sing | 1.09Å | 1.10Å | |
| C15 | H51 | sing | 1.09Å | 1.10Å | |
| C15 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C54 | C53 | 119.9° | 120.0° |
| CL5 | C54 | C55 | 119.6° | 120.0° |
| C54 | C53 | C52 | 119.8° | 120.0° |
| C53 | C54 | C55 | 120.5° | 120.0° |
| C54 | C53 | H12 | 120.1° | 120.0° |
| C53 | C52 | C51 | 120.1° | 120.0° |
| C52 | C53 | H12 | 120.1° | 120.0° |
| C53 | C52 | H13 | 120.0° | 120.0° |
| C54 | C55 | C56 | 119.5° | 120.0° |
| C54 | C55 | H11 | 120.3° | 120.0° |
| C52 | C51 | C56 | 119.6° | 120.0° |
| C52 | C51 | C5 | 120.6° | 120.0° |
| C51 | C52 | H13 | 119.9° | 120.0° |
| CL4 | C44 | C43 | 119.7° | 120.0° |
| CL4 | C44 | C45 | 119.4° | 120.0° |
| C55 | C56 | C51 | 120.3° | 120.0° |
| C55 | C56 | H10 | 119.8° | 120.0° |
| C56 | C55 | H11 | 120.2° | 120.0° |
| C43 | C44 | C45 | 121.0° | 120.0° |
| C44 | C43 | C42 | 119.3° | 120.0° |
| C44 | C43 | H15 | 120.4° | 120.0° |
| C44 | C45 | C46 | 119.4° | 120.0° |
| C44 | C45 | H16 | 120.3° | 120.0° |
| C56 | C51 | C5 | 119.7° | 120.0° |
| C51 | C56 | H10 | 119.8° | 119.9° |
| C51 | C5 | C57 | 111.7° | 110.7° |
| C51 | C5 | C4 | 111.7° | 110.7° |
| C51 | C5 | N1 | 108.7° | 110.7° |
| C43 | C42 | C41 | 120.1° | 120.0° |
| C43 | C42 | H14 | 120.0° | 120.0° |
| C42 | C43 | H15 | 120.4° | 120.0° |
| C45 | C46 | C41 | 120.0° | 120.0° |
| C46 | C45 | H16 | 120.3° | 120.0° |
| C45 | C46 | H17 | 120.0° | 120.0° |
| C57 | C5 | C4 | 111.8° | 110.6° |
| C57 | C5 | N1 | 112.2° | 110.6° |
| C5 | C57 | H1 | 109.5° | 109.5° |
| C5 | C57 | H2 | 109.5° | 109.5° |
| C5 | C57 | H3 | 109.5° | 109.5° |
| O10 | C10 | N1 | 119.6° | 120.0° |
| O10 | C10 | N10 | 120.6° | 120.0° |
| C42 | C41 | C46 | 120.2° | 120.0° |
| C42 | C41 | C4 | 119.3° | 120.0° |
| C41 | C42 | H14 | 119.9° | 120.0° |
| C29 | C28 | O27 | 109.7° | 109.5° |
| C29 | C28 | H36 | 109.4° | 109.5° |
| C29 | C28 | H37 | 109.4° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C28 | C29 | H39 | 109.5° | 109.5° |
| C28 | C29 | H40 | 109.5° | 109.4° |
| C4 | C5 | N1 | 100.3° | 103.3° |
| C5 | C4 | C41 | 112.3° | 110.5° |
| C5 | C4 | C47 | 110.4° | 110.5° |
| C5 | C4 | N3 | 104.3° | 104.2° |
| C5 | N1 | C10 | 121.6° | 125.9° |
| C5 | N1 | C2 | 109.5° | 108.3° |
| C46 | C41 | C4 | 120.5° | 120.0° |
| C41 | C46 | H17 | 120.0° | 120.0° |
| C41 | C4 | C47 | 109.3° | 110.5° |
| C41 | C4 | N3 | 111.8° | 110.6° |
| N1 | C10 | N10 | 119.8° | 120.0° |
| C10 | N1 | C2 | 128.8° | 125.8° |
| C10 | N10 | C14 | 118.1° | 120.9° |
| C10 | N10 | C11 | 122.4° | 120.9° |
| C47 | C4 | N3 | 108.7° | 110.5° |
| C4 | C47 | H4 | 109.5° | 109.5° |
| C4 | C47 | H5 | 109.5° | 109.5° |
| C4 | C47 | H6 | 109.5° | 109.5° |
| C4 | N3 | C2 | 110.4° | 110.2° |
| N1 | C2 | N3 | 110.7° | 114.0° |
| N1 | C2 | C21 | 123.9° | 123.0° |
| C28 | O27 | C26 | 116.2° | 117.0° |
| O27 | C28 | H36 | 109.4° | 109.4° |
| O27 | C28 | H37 | 109.4° | 109.5° |
| O27 | C26 | C21 | 118.6° | 120.1° |
| O27 | C26 | C25 | 119.6° | 120.2° |
| N10 | C14 | C13 | 109.2° | 108.6° |
| C14 | N10 | C11 | 116.9° | 118.2° |
| N10 | C14 | H18 | 109.6° | 109.6° |
| N10 | C14 | H19 | 109.5° | 109.6° |
| C14 | C13 | N12 | 110.9° | 109.3° |
| C13 | C14 | H18 | 109.5° | 109.6° |
| C13 | C14 | H19 | 109.5° | 109.7° |
| C14 | C13 | H20 | 109.1° | 109.5° |
| C14 | C13 | H21 | 109.1° | 109.5° |
| N10 | C11 | C12 | 109.7° | 108.8° |
| N10 | C11 | H25 | 109.4° | 109.6° |
| N10 | C11 | H26 | 109.4° | 109.6° |
| N3 | C2 | C21 | 125.4° | 123.0° |
| C2 | C21 | C26 | 122.3° | 120.2° |
| C2 | C21 | C22 | 119.3° | 120.2° |
| C21 | C26 | C25 | 121.8° | 119.7° |
| C26 | C21 | C22 | 118.4° | 119.7° |
| C26 | C25 | C24 | 118.8° | 120.1° |
| C26 | C25 | H35 | 120.6° | 119.9° |
| C13 | N12 | C12 | 111.3° | 111.3° |
| C13 | N12 | C15 | 109.9° | 111.0° |
| N12 | C13 | H20 | 109.1° | 109.5° |
| N12 | C13 | H21 | 109.1° | 109.5° |
| C11 | C12 | N12 | 111.5° | 109.4° |
| C11 | C12 | H23 | 108.9° | 109.6° |
| C11 | C12 | H24 | 109.0° | 109.3° |
| C12 | C11 | H25 | 109.4° | 109.5° |
| C12 | C11 | H26 | 109.4° | 109.5° |
| C21 | C22 | C23 | 120.6° | 119.9° |
| C21 | C22 | H27 | 119.7° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.4° |
| C25 | C24 | C30 | 120.6° | 119.8° |
| C24 | C25 | H35 | 120.6° | 120.0° |
| C12 | N12 | C15 | 113.2° | 111.0° |
| N12 | C12 | H23 | 109.0° | 109.5° |
| N12 | C12 | H24 | 108.9° | 109.5° |
| N12 | C15 | C16 | 112.8° | 109.5° |
| N12 | C15 | H51 | 108.6° | 109.4° |
| N12 | C15 | H52 | 108.6° | 109.5° |
| C22 | C23 | C24 | 120.4° | 120.3° |
| C23 | C22 | H27 | 119.7° | 120.1° |
| C22 | C23 | H28 | 119.8° | 119.8° |
| C23 | C24 | C30 | 119.3° | 119.8° |
| C24 | C23 | H28 | 119.8° | 119.9° |
| C24 | C30 | C31 | 109.9° | 109.5° |
| C24 | C30 | C33 | 109.5° | 109.5° |
| C24 | C30 | C32 | 109.4° | 109.5° |
| C15 | C16 | C17 | 108.5° | 109.5° |
| C15 | C16 | H44 | 109.7° | 109.5° |
| C15 | C16 | H45 | 109.7° | 109.5° |
| C16 | C15 | H51 | 108.6° | 109.5° |
| C16 | C15 | H52 | 108.6° | 109.5° |
| C31 | C30 | C33 | 109.3° | 109.5° |
| C31 | C30 | C32 | 109.3° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.4° |
| C30 | C31 | H33 | 109.4° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.5° |
| C33 | C30 | C32 | 109.3° | 109.5° |
| C30 | C33 | H29 | 109.5° | 109.5° |
| C30 | C33 | H30 | 109.5° | 109.4° |
| C30 | C33 | H31 | 109.4° | 109.4° |
| C30 | C32 | H41 | 109.5° | 109.5° |
| C30 | C32 | H42 | 109.4° | 109.5° |
| C30 | C32 | H43 | 109.5° | 109.5° |
| C16 | C17 | S17 | 111.2° | 109.5° |
| C17 | C16 | H44 | 109.7° | 109.5° |
| C17 | C16 | H45 | 109.7° | 109.5° |
| C16 | C17 | H46 | 109.0° | 109.5° |
| C16 | C17 | H47 | 109.0° | 109.5° |
| C17 | S17 | O18 | 108.2° | 108.6° |
| C17 | S17 | O17 | 108.6° | 108.6° |
| C17 | S17 | C19 | 105.6° | 101.9° |
| S17 | C17 | H46 | 109.0° | 109.5° |
| S17 | C17 | H47 | 109.0° | 109.4° |
| O18 | S17 | O17 | 116.5° | 119.2° |
| O18 | S17 | C19 | 108.7° | 108.6° |
| O17 | S17 | C19 | 108.6° | 108.6° |
| S17 | C19 | H48 | 109.5° | 109.5° |
| S17 | C19 | H49 | 109.5° | 109.4° |
| S17 | C19 | H50 | 109.5° | 109.5° |
| H1 | C57 | H2 | 109.5° | 109.5° |
| H1 | C57 | H3 | 109.5° | 109.5° |
| H2 | C57 | H3 | 109.4° | 109.5° |
| H4 | C47 | H5 | 109.4° | 109.5° |
| H4 | C47 | H6 | 109.5° | 109.5° |
| H5 | C47 | H6 | 109.4° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.7° |
| H20 | C13 | H21 | 109.5° | 109.6° |
| H23 | C12 | H24 | 109.5° | 109.6° |
| H25 | C11 | H26 | 109.5° | 109.7° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H43 | 109.5° | 109.4° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| H44 | C16 | H45 | 109.5° | 109.5° |
| H46 | C17 | H47 | 109.5° | 109.4° |
| H48 | C19 | H49 | 109.5° | 109.5° |
| H48 | C19 | H50 | 109.5° | 109.5° |
| H49 | C19 | H50 | 109.5° | 109.4° |
| H51 | C15 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C54 | C53 | C55 | 179.1° | 179.9° |
| CL5 | C54 | C53 | C52 | 175.6° | 179.7° |
| CL5 | C54 | C55 | C56 | 175.6° | 180.0° |
| CL5 | C54 | C55 | H11 | 4.4° | 0.1° |
| CL5 | C54 | C53 | H12 | 4.4° | 0.1° |
| C54 | C53 | C52 | H12 | 180.0° | 179.8° |
| C54 | C53 | C52 | C51 | 0.0° | 0.5° |
| C53 | C54 | C55 | C56 | 3.5° | 0.0° |
| C53 | C54 | C55 | H11 | 176.6° | 180.0° |
| C54 | C53 | C52 | H13 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 3.5° | 0.2° |
| C53 | C52 | C51 | H13 | 180.0° | 179.5° |
| C53 | C52 | C51 | C56 | 3.5° | 0.5° |
| C53 | C52 | C51 | C5 | 175.3° | 179.8° |
| C54 | C55 | C56 | H11 | 180.0° | 179.9° |
| C54 | C55 | C56 | C51 | 0.1° | 0.0° |
| C54 | C55 | C56 | H10 | 179.9° | 180.0° |
| C55 | C54 | C53 | H12 | 176.5° | 180.0° |
| C52 | C51 | C56 | C55 | 3.6° | 0.3° |
| C52 | C51 | C56 | C5 | 178.9° | 179.7° |
| C52 | C51 | C5 | C57 | 41.4° | 136.2° |
| C52 | C51 | C5 | C4 | 84.6° | 100.7° |
| C52 | C51 | C5 | N1 | 165.8° | 13.1° |
| C52 | C51 | C56 | H10 | 176.4° | 179.7° |
| C51 | C52 | C53 | H12 | 180.0° | 179.7° |
| CL4 | C44 | C43 | C45 | 179.5° | 179.9° |
| CL4 | C44 | C43 | C42 | 178.3° | 180.0° |
| CL4 | C44 | C45 | C46 | 178.6° | 179.7° |
| CL4 | C44 | C43 | H15 | 1.7° | 0.1° |
| CL4 | C44 | C45 | H16 | 1.4° | 0.1° |
| C55 | C56 | C51 | H10 | 180.0° | 180.0° |
| C55 | C56 | C51 | C5 | 175.3° | 180.0° |
| C44 | C43 | C42 | H15 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.9° | 0.3° |
| C44 | C43 | C42 | C41 | 0.2° | 0.1° |
| C44 | C43 | C42 | H14 | 179.8° | 180.0° |
| C43 | C44 | C45 | H16 | 179.1° | 180.0° |
| C45 | C44 | C43 | C42 | 1.2° | 0.1° |
| C44 | C45 | C46 | H16 | 180.0° | 179.7° |
| C44 | C45 | C46 | C41 | 0.5° | 0.6° |
| C45 | C44 | C43 | H15 | 178.8° | 180.0° |
| C44 | C45 | C46 | H17 | 179.6° | 179.9° |
| C56 | C51 | C5 | C57 | 139.7° | 44.1° |
| C56 | C51 | C5 | C4 | 94.3° | 79.0° |
| C56 | C51 | C5 | N1 | 15.4° | 167.2° |
| C51 | C56 | C55 | H11 | 179.9° | 179.9° |
| C56 | C51 | C52 | H13 | 176.5° | 180.0° |
| C51 | C5 | C57 | C4 | 125.9° | 123.1° |
| C51 | C5 | C57 | N1 | 122.3° | 123.1° |
| C51 | C5 | C4 | N1 | 115.0° | 118.5° |
| C51 | C5 | C4 | C41 | 27.4° | 0.4° |
| C51 | C5 | N1 | C10 | 86.1° | 61.8° |
| C51 | C5 | C4 | C47 | 149.6° | 122.9° |
| C51 | C5 | C4 | N3 | 93.8° | 118.5° |
| C51 | C5 | N1 | C2 | 97.7° | 118.5° |
| C51 | C5 | C57 | H1 | 180.0° | 1.4° |
| C51 | C5 | C57 | H2 | 60.0° | 118.6° |
| C51 | C5 | C57 | H3 | 60.0° | 121.4° |
| C5 | C51 | C56 | H10 | 4.7° | 0.0° |
| C5 | C51 | C52 | H13 | 4.7° | 0.3° |
| C43 | C42 | C41 | H14 | 180.0° | 180.0° |
| C43 | C42 | C41 | C46 | 1.1° | 0.3° |
| C43 | C42 | C41 | C4 | 178.5° | 180.0° |
| C45 | C46 | C41 | C42 | 1.4° | 0.6° |
| C45 | C46 | C41 | H17 | 180.0° | 179.5° |
| C45 | C46 | C41 | C4 | 178.2° | 179.8° |
| C57 | C5 | C4 | N1 | 119.1° | 118.4° |
| C57 | C5 | C4 | C41 | 98.6° | 122.7° |
| C57 | C5 | N1 | C10 | 37.9° | 61.3° |
| C57 | C5 | C4 | C47 | 23.7° | 0.2° |
| C57 | C5 | C4 | N3 | 140.3° | 118.4° |
| C57 | C5 | N1 | C2 | 138.3° | 118.4° |
| C5 | C57 | H1 | H2 | 120.0° | 120.0° |
| C5 | C57 | H1 | H3 | 120.0° | 120.0° |
| C5 | C57 | H2 | H3 | 120.0° | 120.0° |
| O10 | C10 | N1 | C5 | 37.5° | 169.3° |
| O10 | C10 | N1 | N10 | 179.0° | 179.9° |
| O10 | C10 | N1 | C2 | 147.0° | 11.1° |
| O10 | C10 | N10 | C14 | 7.4° | 173.3° |
| O10 | C10 | N10 | C11 | 153.8° | 6.5° |
| C42 | C41 | C4 | C5 | 96.2° | 86.6° |
| C42 | C41 | C46 | C4 | 179.7° | 179.7° |
| C42 | C41 | C4 | C47 | 26.7° | 35.9° |
| C42 | C41 | C4 | N3 | 147.0° | 158.6° |
| C41 | C42 | C43 | H15 | 179.8° | 180.0° |
| C42 | C41 | C46 | H17 | 178.6° | 179.9° |
| C29 | C28 | O27 | H36 | 120.0° | 120.0° |
| C29 | C28 | O27 | H37 | 120.0° | 120.0° |
| C29 | C28 | O27 | C26 | 176.6° | 180.0° |
| C29 | C28 | H36 | H37 | 119.9° | 120.0° |
| C28 | C29 | H38 | H39 | 120.0° | 120.0° |
| C28 | C29 | H38 | H40 | 120.0° | 120.0° |
| C28 | C29 | H39 | H40 | 120.0° | 120.0° |
| C5 | C4 | C41 | C46 | 83.5° | 93.7° |
| C5 | C4 | C41 | C47 | 122.8° | 122.5° |
| C5 | C4 | C41 | N3 | 116.8° | 114.8° |
| C4 | C5 | N1 | C10 | 156.7° | 179.7° |
| C5 | C4 | C47 | N3 | 113.8° | 114.7° |
| C4 | C5 | N1 | C2 | 19.5° | 0.0° |
| C5 | C4 | N3 | C2 | 16.6° | 0.0° |
| C4 | C5 | C57 | H1 | 54.1° | 121.7° |
| C4 | C5 | C57 | H2 | 65.9° | 118.3° |
| C4 | C5 | C57 | H3 | 174.1° | 1.7° |
| C5 | C4 | C47 | H4 | 180.0° | 60.0° |
| C5 | C4 | C47 | H5 | 60.0° | 179.9° |
| C5 | C4 | C47 | H6 | 60.0° | 60.0° |
| N1 | C5 | C4 | C41 | 142.3° | 118.8° |
| C5 | N1 | C10 | C2 | 175.5° | 179.6° |
| C5 | N1 | C10 | N10 | 143.5° | 10.6° |
| N1 | C5 | C4 | C47 | 95.4° | 118.7° |
| N1 | C5 | C4 | N3 | 21.1° | 0.0° |
| C5 | N1 | C2 | N3 | 10.8° | 0.0° |
| C5 | N1 | C2 | C21 | 169.3° | 180.0° |
| N1 | C5 | C57 | H1 | 57.7° | 124.5° |
| N1 | C5 | C57 | H2 | 177.7° | 4.5° |
| N1 | C5 | C57 | H3 | 62.3° | 115.5° |
| C46 | C41 | C4 | C47 | 153.7° | 143.7° |
| C46 | C41 | C4 | N3 | 33.3° | 21.1° |
| C46 | C41 | C42 | H14 | 178.9° | 179.7° |
| C41 | C46 | C45 | H16 | 179.6° | 179.8° |
| C41 | C4 | C47 | N3 | 122.2° | 122.7° |
| C41 | C4 | N3 | C2 | 138.1° | 118.7° |
| C41 | C4 | C47 | H4 | 56.0° | 177.5° |
| C41 | C4 | C47 | H5 | 64.0° | 57.4° |
| C41 | C4 | C47 | H6 | 176.0° | 62.5° |
| C4 | C41 | C42 | H14 | 1.4° | 0.0° |
| C4 | C41 | C46 | H17 | 1.8° | 0.2° |
| N1 | C10 | N10 | C14 | 171.6° | 6.6° |
| N1 | C10 | N10 | C11 | 27.2° | 173.6° |
| C10 | N1 | C2 | N3 | 165.1° | 179.7° |
| C10 | N1 | C2 | C21 | 14.8° | 0.3° |
| N10 | C10 | N1 | C2 | 32.0° | 169.0° |
| C10 | N10 | C14 | C11 | 162.3° | 179.7° |
| C10 | N10 | C14 | C13 | 143.0° | 128.8° |
| C10 | N10 | C11 | C12 | 147.0° | 128.9° |
| C10 | N10 | C14 | H18 | 97.1° | 111.4° |
| C10 | N10 | C14 | H19 | 23.0° | 9.1° |
| C10 | N10 | C11 | H25 | 27.0° | 9.1° |
| C10 | N10 | C11 | H26 | 92.9° | 111.4° |
| C47 | C4 | N3 | C2 | 101.1° | 118.6° |
| C4 | C47 | H4 | H5 | 120.0° | 120.1° |
| C4 | C47 | H4 | H6 | 120.0° | 120.0° |
| C4 | C47 | H5 | H6 | 120.0° | 120.0° |
| C4 | N3 | C2 | N1 | 4.4° | 0.0° |
| C4 | N3 | C2 | C21 | 175.4° | 180.0° |
| N3 | C4 | C47 | H4 | 66.2° | 54.7° |
| N3 | C4 | C47 | H5 | 173.8° | 65.3° |
| N3 | C4 | C47 | H6 | 53.8° | 174.8° |
| N1 | C2 | N3 | C21 | 179.8° | 180.0° |
| N1 | C2 | C21 | C26 | 39.8° | 60.9° |
| N1 | C2 | C21 | C22 | 142.4° | 119.3° |
| C28 | O27 | C26 | C21 | 178.8° | 180.0° |
| C28 | O27 | C26 | C25 | 0.1° | 0.3° |
| O27 | C28 | H36 | H37 | 119.9° | 120.0° |
| O27 | C28 | C29 | H38 | 180.0° | 60.0° |
| O27 | C28 | C29 | H39 | 60.0° | 60.0° |
| O27 | C28 | C29 | H40 | 60.0° | 180.0° |
| O27 | C26 | C21 | C2 | 0.3° | 0.0° |
| O27 | C26 | C21 | C25 | 178.8° | 179.8° |
| O27 | C26 | C21 | C22 | 178.2° | 179.8° |
| O27 | C26 | C25 | C24 | 178.4° | 179.8° |
| O27 | C26 | C25 | H35 | 1.6° | 0.1° |
| C26 | O27 | C28 | H36 | 56.6° | 60.0° |
| C26 | O27 | C28 | H37 | 63.4° | 60.0° |
| N10 | C14 | C13 | H18 | 120.0° | 119.8° |
| N10 | C14 | C13 | H19 | 120.0° | 119.7° |
| N10 | C14 | C13 | N12 | 56.1° | 53.9° |
| C14 | N10 | C11 | C12 | 51.5° | 50.9° |
| N10 | C14 | H18 | H19 | 120.1° | 120.4° |
| N10 | C14 | C13 | H20 | 176.4° | 173.8° |
| N10 | C14 | C13 | H21 | 64.1° | 66.1° |
| C14 | N10 | C11 | H25 | 171.5° | 170.6° |
| C14 | N10 | C11 | H26 | 68.5° | 68.8° |
| C13 | C14 | N10 | C11 | 54.7° | 50.9° |
| C14 | C13 | N12 | H20 | 120.2° | 120.0° |
| C14 | C13 | N12 | H21 | 120.2° | 119.9° |
| C14 | C13 | N12 | C12 | 58.5° | 63.1° |
| C14 | C13 | N12 | C15 | 175.4° | 172.8° |
| C13 | C14 | H18 | H19 | 120.1° | 120.5° |
| C14 | C13 | H20 | H21 | 119.3° | 120.1° |
| N10 | C11 | C12 | H25 | 120.0° | 119.8° |
| N10 | C11 | C12 | H26 | 120.0° | 119.8° |
| N10 | C11 | C12 | N12 | 49.8° | 53.6° |
| C11 | N10 | C14 | H18 | 65.2° | 68.8° |
| C11 | N10 | C14 | H19 | 174.7° | 170.7° |
| N10 | C11 | C12 | H23 | 70.6° | 173.6° |
| N10 | C11 | C12 | H24 | 170.0° | 66.3° |
| N10 | C11 | H25 | H26 | 119.9° | 120.5° |
| N3 | C2 | C21 | C26 | 140.4° | 119.1° |
| N3 | C2 | C21 | C22 | 37.4° | 60.7° |
| C2 | C21 | C26 | C22 | 177.9° | 179.8° |
| C2 | C21 | C26 | C25 | 178.5° | 179.8° |
| C2 | C21 | C22 | C23 | 178.1° | 180.0° |
| C2 | C21 | C22 | H27 | 1.8° | 0.0° |
| C21 | C26 | C25 | C24 | 0.5° | 0.5° |
| C26 | C21 | C22 | C23 | 0.2° | 0.2° |
| C26 | C21 | C22 | H27 | 179.8° | 179.8° |
| C21 | C26 | C25 | H35 | 179.6° | 179.8° |
| C25 | C26 | C21 | C22 | 0.6° | 0.5° |
| C26 | C25 | C24 | H35 | 180.0° | 179.7° |
| C26 | C25 | C24 | C23 | 0.2° | 0.2° |
| C26 | C25 | C24 | C30 | 179.9° | 179.7° |
| C13 | N12 | C12 | C11 | 55.1° | 63.0° |
| C13 | N12 | C12 | C15 | 124.3° | 124.1° |
| C13 | N12 | C15 | C16 | 177.7° | 164.2° |
| N12 | C13 | C14 | H18 | 63.8° | 65.9° |
| N12 | C13 | C14 | H19 | 176.1° | 173.6° |
| N12 | C13 | H20 | H21 | 119.3° | 120.1° |
| C13 | N12 | C12 | H23 | 65.2° | 177.0° |
| C13 | N12 | C12 | H24 | 175.4° | 56.8° |
| C13 | N12 | C15 | H51 | 61.8° | 44.2° |
| C13 | N12 | C15 | H52 | 57.2° | 75.8° |
| C11 | C12 | N12 | H23 | 120.3° | 120.1° |
| C11 | C12 | N12 | H24 | 120.3° | 119.8° |
| C11 | C12 | N12 | C15 | 179.5° | 172.9° |
| C11 | C12 | H23 | H24 | 119.1° | 120.0° |
| C12 | C11 | H25 | H26 | 119.9° | 120.2° |
| C21 | C22 | C23 | H27 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H28 | 179.6° | 180.0° |
| C25 | C24 | C23 | C22 | 0.6° | 0.0° |
| C25 | C24 | C23 | C30 | 179.7° | 180.0° |
| C25 | C24 | C30 | C31 | 40.3° | 64.2° |
| C25 | C24 | C30 | C33 | 79.9° | 55.8° |
| C25 | C24 | C30 | C32 | 160.3° | 175.8° |
| C25 | C24 | C23 | H28 | 179.4° | 180.0° |
| C12 | N12 | C15 | C16 | 52.6° | 71.5° |
| C12 | N12 | C13 | H20 | 178.7° | 176.9° |
| C12 | N12 | C13 | H21 | 61.8° | 56.8° |
| N12 | C12 | H23 | H24 | 119.1° | 120.1° |
| N12 | C12 | C11 | H25 | 169.8° | 173.4° |
| N12 | C12 | C11 | H26 | 70.3° | 66.2° |
| C12 | N12 | C15 | H51 | 173.2° | 168.5° |
| C12 | N12 | C15 | H52 | 67.9° | 48.5° |
| N12 | C15 | C16 | H51 | 120.5° | 120.0° |
| N12 | C15 | C16 | H52 | 120.5° | 120.0° |
| N12 | C15 | C16 | C17 | 179.2° | 180.0° |
| C15 | N12 | C13 | H20 | 55.2° | 52.8° |
| C15 | N12 | C13 | H21 | 64.4° | 67.3° |
| C15 | N12 | C12 | H23 | 59.2° | 52.8° |
| C15 | N12 | C12 | H24 | 60.2° | 67.3° |
| N12 | C15 | C16 | H44 | 61.0° | 60.0° |
| N12 | C15 | C16 | H45 | 59.3° | 60.0° |
| N12 | C15 | H51 | H52 | 118.4° | 120.0° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C22 | C23 | C24 | C30 | 179.7° | 180.0° |
| C23 | C24 | C30 | C31 | 140.0° | 115.9° |
| C23 | C24 | C30 | C33 | 99.9° | 124.2° |
| C23 | C24 | C30 | C32 | 19.9° | 4.2° |
| C24 | C23 | C22 | H27 | 179.6° | 180.0° |
| C23 | C24 | C25 | H35 | 179.8° | 180.0° |
| C24 | C30 | C31 | C33 | 120.2° | 120.0° |
| C24 | C30 | C31 | C32 | 120.1° | 120.0° |
| C24 | C30 | C33 | C32 | 119.9° | 120.0° |
| C30 | C24 | C23 | H28 | 0.3° | 0.0° |
| C24 | C30 | C33 | H29 | 180.0° | 60.0° |
| C24 | C30 | C33 | H30 | 60.0° | 180.0° |
| C24 | C30 | C33 | H31 | 60.0° | 60.0° |
| C24 | C30 | C31 | H32 | 180.0° | 60.0° |
| C24 | C30 | C31 | H33 | 60.0° | 180.0° |
| C24 | C30 | C31 | H34 | 60.0° | 60.0° |
| C30 | C24 | C25 | H35 | 0.1° | 0.0° |
| C24 | C30 | C32 | H41 | 180.0° | 63.3° |
| C24 | C30 | C32 | H42 | 60.0° | 176.6° |
| C24 | C30 | C32 | H43 | 60.0° | 56.6° |
| C15 | C16 | C17 | H44 | 119.8° | 120.0° |
| C15 | C16 | C17 | H45 | 119.9° | 120.0° |
| C15 | C16 | C17 | S17 | 164.4° | 180.0° |
| C15 | C16 | H44 | H45 | 120.4° | 120.0° |
| C15 | C16 | C17 | H46 | 75.3° | 60.0° |
| C15 | C16 | C17 | H47 | 44.2° | 60.0° |
| C16 | C15 | H51 | H52 | 118.5° | 120.0° |
| C31 | C30 | C33 | C32 | 119.6° | 120.0° |
| C31 | C30 | C33 | H29 | 59.5° | 60.0° |
| C31 | C30 | C33 | H30 | 60.5° | 60.0° |
| C31 | C30 | C33 | H31 | 179.5° | 180.0° |
| C30 | C31 | H32 | H33 | 120.0° | 120.0° |
| C30 | C31 | H32 | H34 | 120.0° | 120.0° |
| C30 | C31 | H33 | H34 | 120.0° | 120.0° |
| C31 | C30 | C32 | H41 | 59.6° | 176.7° |
| C31 | C30 | C32 | H42 | 179.5° | 56.6° |
| C31 | C30 | C32 | H43 | 60.5° | 63.4° |
| C30 | C33 | H29 | H30 | 120.0° | 120.0° |
| C30 | C33 | H29 | H31 | 120.0° | 119.9° |
| C30 | C33 | H30 | H31 | 120.0° | 119.9° |
| C33 | C30 | C31 | H32 | 59.8° | 180.0° |
| C33 | C30 | C31 | H33 | 179.7° | 60.0° |
| C33 | C30 | C31 | H34 | 60.2° | 60.0° |
| C33 | C30 | C32 | H41 | 60.1° | 56.7° |
| C33 | C30 | C32 | H42 | 59.9° | 63.4° |
| C33 | C30 | C32 | H43 | 179.9° | 176.6° |
| C32 | C30 | C33 | H29 | 60.1° | 180.0° |
| C32 | C30 | C33 | H30 | 179.9° | 60.0° |
| C32 | C30 | C33 | H31 | 59.9° | 60.0° |
| C32 | C30 | C31 | H32 | 59.9° | 60.0° |
| C32 | C30 | C31 | H33 | 60.1° | 60.0° |
| C32 | C30 | C31 | H34 | 179.9° | 180.0° |
| C30 | C32 | H41 | H42 | 120.0° | 120.0° |
| C30 | C32 | H41 | H43 | 120.0° | 120.0° |
| C30 | C32 | H42 | H43 | 120.0° | 120.0° |
| C16 | C17 | S17 | H46 | 120.3° | 120.1° |
| C16 | C17 | S17 | H47 | 120.3° | 120.0° |
| C16 | C17 | S17 | O18 | 70.8° | 65.6° |
| C16 | C17 | S17 | O17 | 56.5° | 65.5° |
| C16 | C17 | S17 | C19 | 172.8° | 180.0° |
| C17 | C16 | H44 | H45 | 120.4° | 120.0° |
| C16 | C17 | H46 | H47 | 119.2° | 120.0° |
| C17 | C16 | C15 | H51 | 58.7° | 60.0° |
| C17 | C16 | C15 | H52 | 60.3° | 60.0° |
| C17 | S17 | O18 | O17 | 122.7° | 125.0° |
| C17 | S17 | O18 | C19 | 114.3° | 110.0° |
| C17 | S17 | O17 | C19 | 114.4° | 110.0° |
| S17 | C17 | C16 | H44 | 44.6° | 60.0° |
| S17 | C17 | C16 | H45 | 75.7° | 60.0° |
| S17 | C17 | H46 | H47 | 119.2° | 120.0° |
| C17 | S17 | C19 | H48 | 180.0° | 60.0° |
| C17 | S17 | C19 | H49 | 60.0° | 180.0° |
| C17 | S17 | C19 | H50 | 60.0° | 60.0° |
| O18 | S17 | O17 | C19 | 123.1° | 125.0° |
| O18 | S17 | C17 | H46 | 168.9° | 54.5° |
| O18 | S17 | C17 | H47 | 49.4° | 174.5° |
| O18 | S17 | C19 | H48 | 64.0° | 174.5° |
| O18 | S17 | C19 | H49 | 176.0° | 65.5° |
| O18 | S17 | C19 | H50 | 56.0° | 54.5° |
| O17 | S17 | C17 | H46 | 63.7° | 174.4° |
| O17 | S17 | C17 | H47 | 176.8° | 54.5° |
| O17 | S17 | C19 | H48 | 63.7° | 54.5° |
| O17 | S17 | C19 | H49 | 56.3° | 65.6° |
| O17 | S17 | C19 | H50 | 176.3° | 174.5° |
| C19 | S17 | C17 | H46 | 52.6° | 60.0° |
| C19 | S17 | C17 | H47 | 66.9° | 60.0° |
| S17 | C19 | H48 | H49 | 120.0° | 120.0° |
| S17 | C19 | H48 | H50 | 120.0° | 120.0° |
| S17 | C19 | H49 | H50 | 120.0° | 120.0° |
| H1 | C57 | H2 | H3 | 120.0° | 120.0° |
| H4 | C47 | H5 | H6 | 120.0° | 120.0° |
| H10 | C56 | C55 | H11 | 0.1° | 0.1° |
| H12 | C53 | C52 | H13 | 0.0° | 0.2° |
| H14 | C42 | C43 | H15 | 0.2° | 0.0° |
| H16 | C45 | C46 | H17 | 0.4° | 0.2° |
| H18 | C14 | C13 | H20 | 56.4° | 54.1° |
| H18 | C14 | C13 | H21 | 175.9° | 174.2° |
| H19 | C14 | C13 | H20 | 63.7° | 66.5° |
| H19 | C14 | C13 | H21 | 55.9° | 53.7° |
| H23 | C12 | C11 | H25 | 49.5° | 66.6° |
| H23 | C12 | C11 | H26 | 169.4° | 53.8° |
| H24 | C12 | C11 | H25 | 69.9° | 53.6° |
| H24 | C12 | C11 | H26 | 50.0° | 173.9° |
| H27 | C22 | C23 | H28 | 0.4° | 0.0° |
| H29 | C33 | H30 | H31 | 120.0° | 120.1° |
| H32 | C31 | H33 | H34 | 120.0° | 120.0° |
| H36 | C28 | C29 | H38 | 60.0° | 180.0° |
| H36 | C28 | C29 | H39 | 60.0° | 60.0° |
| H36 | C28 | C29 | H40 | 180.0° | 60.0° |
| H37 | C28 | C29 | H38 | 60.0° | 60.0° |
| H37 | C28 | C29 | H39 | 180.0° | 180.0° |
| H37 | C28 | C29 | H40 | 60.0° | 60.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H41 | C32 | H42 | H43 | 120.0° | 120.0° |
| H44 | C16 | C17 | H46 | 164.9° | 60.0° |
| H44 | C16 | C17 | H47 | 75.7° | 180.0° |
| H44 | C16 | C15 | H51 | 178.5° | 59.9° |
| H44 | C16 | C15 | H52 | 59.5° | 180.0° |
| H45 | C16 | C17 | H46 | 44.6° | 180.0° |
| H45 | C16 | C17 | H47 | 164.0° | 60.0° |
| H45 | C16 | C15 | H51 | 61.2° | 180.0° |
| H45 | C16 | C15 | H52 | 179.8° | 60.0° |
| H48 | C19 | H49 | H50 | 120.0° | 120.1° |
