1F4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N34 | sing | 1.47Å | 1.48Å | |
| N34 | C35 | sing | 1.47Å | 1.47Å | |
| N34 | C32 | sing | 1.47Å | 1.47Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C38 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C30 | O29 | sing | 1.43Å | 1.43Å | |
| C33 | O37 | sing | 1.43Å | 1.45Å | |
| C33 | C28 | sing | 1.53Å | 1.55Å | |
| C19 | C2 | sing | 1.53Å | 1.54Å | |
| O29 | C28 | sing | 1.43Å | 1.42Å | |
| C28 | O20 | sing | 1.43Å | 1.40Å | |
| O20 | C8 | sing | 1.43Å | 1.44Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C22 | C9 | sing | 1.54Å | 1.58Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.52Å | 1.52Å | |
| C9 | O18 | sing | 1.43Å | 1.44Å | |
| O15 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C1 | sing | 1.50Å | 1.53Å | |
| C8 | C14 | sing | 1.52Å | 1.51Å | |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C16 | sing | 1.53Å | 1.56Å | |
| C1 | C4 | sing | 1.51Å | 1.54Å | |
| C54 | N55 | sing | 1.32Å | 1.36Å | Aromatic |
| C52 | C51 | doub | 1.39Å | 1.44Å | Aromatic |
| O46 | C44 | doub | 1.22Å | 1.24Å | |
| O18 | C39 | sing | 1.43Å | 1.43Å | |
| C21 | C14 | sing | 1.52Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C50 | N45 | sing | 1.47Å | 1.48Å | |
| C50 | C49 | sing | 1.55Å | 1.56Å | |
| C58 | C49 | sing | 1.53Å | 1.55Å | |
| C44 | N45 | sing | 1.35Å | 1.38Å | |
| C44 | O43 | sing | 1.35Å | 1.36Å | |
| N45 | C47 | sing | 1.47Å | 1.50Å | |
| N55 | C56 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N40 | sing | 1.49Å | 1.49Å | |
| C4 | C5 | sing | 1.52Å | 1.56Å | |
| C49 | C48 | sing | 1.55Å | 1.57Å | |
| C49 | C57 | sing | 1.53Å | 1.55Å | |
| C13 | O43 | sing | 1.46Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C51 | C56 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | C47 | sing | 1.51Å | 1.54Å | |
| C24 | C5 | sing | 1.52Å | 1.55Å | |
| C48 | C47 | sing | 1.54Å | 1.54Å | |
| N40 | C41 | sing | 1.34Å | 1.39Å | |
| C5 | O17 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | sing | 1.54Å | 1.57Å | |
| O17 | C41 | sing | 1.34Å | 1.37Å | |
| C12 | C11 | sing | 1.50Å | 1.50Å | |
| C12 | C27 | sing | 1.52Å | 1.52Å | |
| C41 | O42 | doub | 1.22Å | 1.24Å | |
| C11 | O10 | sing | 1.34Å | 1.35Å | |
| C11 | O26 | doub | 1.21Å | 1.24Å | |
| O10 | C6 | sing | 1.45Å | 1.44Å | |
| C6 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.12Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C4 | H3 | sing | 1.11Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.11Å | 1.10Å | |
| C12 | H8 | sing | 1.12Å | 1.10Å | |
| C13 | H9 | sing | 1.12Å | 1.10Å | |
| C14 | H10 | sing | 1.13Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| O37 | H47 | sing | 0.97Å | 0.95Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| N40 | H54 | sing | 0.97Å | 1.00Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C48 | H56 | sing | 1.09Å | 1.10Å | |
| C48 | H57 | sing | 1.09Å | 1.10Å | |
| C50 | H58 | sing | 1.09Å | 1.10Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | H60 | sing | 1.08Å | 1.08Å | |
| C53 | H61 | sing | 1.08Å | 1.08Å | |
| C54 | H62 | sing | 1.08Å | 1.08Å | |
| C56 | H63 | sing | 1.08Å | 1.08Å | |
| C57 | H64 | sing | 1.09Å | 1.10Å | |
| C57 | H65 | sing | 1.09Å | 1.10Å | |
| C57 | H66 | sing | 1.09Å | 1.10Å | |
| C58 | H67 | sing | 1.09Å | 1.10Å | |
| C58 | H68 | sing | 1.09Å | 1.10Å | |
| C58 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N34 | C35 | 113.7° | 111.0° |
| C36 | N34 | C32 | 111.9° | 111.0° |
| N34 | C36 | H44 | 109.5° | 109.5° |
| N34 | C36 | H45 | 109.5° | 109.5° |
| N34 | C36 | H46 | 109.4° | 109.5° |
| C35 | N34 | C32 | 109.2° | 111.0° |
| N34 | C35 | H41 | 109.5° | 109.5° |
| N34 | C35 | H42 | 109.5° | 109.5° |
| N34 | C35 | H43 | 109.5° | 109.5° |
| N34 | C32 | C31 | 109.9° | 109.6° |
| N34 | C32 | C33 | 115.0° | 109.6° |
| N34 | C32 | H38 | 106.4° | 109.6° |
| C32 | C31 | C30 | 107.9° | 109.2° |
| C31 | C32 | C33 | 113.6° | 109.1° |
| C32 | C31 | H36 | 109.8° | 109.5° |
| C32 | C31 | H37 | 109.9° | 109.5° |
| C31 | C32 | H38 | 105.7° | 109.5° |
| C31 | C30 | C38 | 110.4° | 109.5° |
| C31 | C30 | O29 | 109.1° | 109.5° |
| C31 | C30 | H35 | 108.7° | 109.5° |
| C30 | C31 | H36 | 109.8° | 109.5° |
| C30 | C31 | H37 | 109.8° | 109.6° |
| C38 | C30 | O29 | 109.3° | 109.5° |
| C38 | C30 | H35 | 108.9° | 109.5° |
| C30 | C38 | H48 | 109.5° | 109.4° |
| C30 | C38 | H49 | 109.5° | 109.5° |
| C30 | C38 | H50 | 109.5° | 109.5° |
| C32 | C33 | O37 | 106.7° | 109.5° |
| C32 | C33 | C28 | 109.0° | 109.1° |
| C33 | C32 | H38 | 105.5° | 109.5° |
| C32 | C33 | H39 | 110.2° | 109.5° |
| C30 | O29 | C28 | 108.7° | 114.1° |
| O29 | C30 | H35 | 110.3° | 109.5° |
| O37 | C33 | C28 | 108.7° | 109.6° |
| O37 | C33 | H39 | 111.8° | 109.5° |
| C33 | O37 | H47 | 109.5° | 114.0° |
| C33 | C28 | O29 | 112.1° | 109.5° |
| C33 | C28 | O20 | 112.6° | 109.4° |
| C33 | C28 | H34 | 108.6° | 109.5° |
| C28 | C33 | H39 | 110.3° | 109.6° |
| C19 | C2 | C7 | 104.0° | 108.5° |
| C19 | C2 | C3 | 113.3° | 109.2° |
| C19 | C2 | H2 | 109.8° | 109.4° |
| C2 | C19 | H14 | 109.5° | 109.5° |
| C2 | C19 | H15 | 109.5° | 109.5° |
| C2 | C19 | H16 | 109.5° | 109.5° |
| O29 | C28 | O20 | 102.4° | 109.5° |
| O29 | C28 | H34 | 110.4° | 109.5° |
| C28 | O20 | C8 | 111.2° | 114.0° |
| O20 | C28 | H34 | 110.6° | 109.5° |
| O20 | C8 | C9 | 110.3° | 110.7° |
| O20 | C8 | C14 | 111.1° | 110.2° |
| O20 | C8 | H7 | 105.1° | 106.3° |
| C7 | C2 | C3 | 109.5° | 109.4° |
| C2 | C7 | C9 | 108.7° | 110.0° |
| C7 | C2 | H2 | 109.9° | 110.8° |
| C2 | C7 | H5 | 109.7° | 109.2° |
| C2 | C7 | H6 | 109.7° | 109.5° |
| C2 | C3 | O15 | 116.6° | 118.3° |
| C2 | C3 | C1 | 125.2° | 120.0° |
| C3 | C2 | H2 | 110.1° | 109.5° |
| C22 | C9 | C7 | 103.0° | 108.0° |
| C22 | C9 | C8 | 104.3° | 108.5° |
| C22 | C9 | O18 | 114.3° | 108.7° |
| C9 | C22 | H20 | 109.5° | 109.5° |
| C9 | C22 | H21 | 109.5° | 109.4° |
| C9 | C22 | H22 | 109.5° | 109.5° |
| C7 | C9 | C8 | 113.4° | 110.4° |
| C7 | C9 | O18 | 105.6° | 108.5° |
| C9 | C7 | H5 | 109.6° | 109.9° |
| C9 | C7 | H6 | 109.6° | 109.2° |
| C8 | C9 | O18 | 115.6° | 112.5° |
| C9 | C8 | C14 | 120.2° | 114.8° |
| C9 | C8 | H7 | 104.2° | 107.2° |
| C9 | O18 | C39 | 114.8° | 114.0° |
| O15 | C3 | C1 | 118.2° | 121.7° |
| C3 | C1 | C16 | 112.4° | 111.1° |
| C3 | C1 | C4 | 113.4° | 115.5° |
| C3 | C1 | H1 | 107.0° | 105.7° |
| C8 | C14 | C21 | 120.1° | 110.8° |
| C8 | C14 | C13 | 113.4° | 113.0° |
| C14 | C8 | H7 | 104.4° | 107.1° |
| C8 | C14 | H10 | 98.3° | 104.5° |
| C54 | C53 | C52 | 116.1° | 119.2° |
| C53 | C54 | N55 | 122.0° | 120.8° |
| C54 | C53 | H61 | 122.0° | 120.4° |
| C53 | C54 | H62 | 119.0° | 119.6° |
| C53 | C52 | C51 | 121.5° | 118.4° |
| C53 | C52 | H60 | 119.3° | 120.8° |
| C52 | C53 | H61 | 121.9° | 120.4° |
| C16 | C1 | C4 | 110.1° | 112.8° |
| C16 | C1 | H1 | 106.6° | 105.1° |
| C1 | C16 | H11 | 109.5° | 109.5° |
| C1 | C16 | H12 | 109.5° | 109.4° |
| C1 | C16 | H13 | 109.5° | 109.5° |
| C1 | C4 | N40 | 108.6° | 109.7° |
| C1 | C4 | C5 | 123.0° | 120.5° |
| C4 | C1 | H1 | 106.8° | 105.7° |
| C1 | C4 | H3 | 109.3° | 108.2° |
| C54 | N55 | C56 | 123.3° | 121.7° |
| N55 | C54 | H62 | 119.0° | 119.5° |
| C52 | C51 | C56 | 118.4° | 119.2° |
| C52 | C51 | C47 | 120.2° | 120.4° |
| C51 | C52 | H60 | 119.2° | 120.8° |
| O46 | C44 | N45 | 120.2° | 120.0° |
| O46 | C44 | O43 | 121.8° | 120.0° |
| O18 | C39 | H51 | 109.5° | 109.5° |
| O18 | C39 | H52 | 109.5° | 109.5° |
| O18 | C39 | H53 | 109.5° | 109.5° |
| C21 | C14 | C13 | 120.4° | 116.9° |
| C21 | C14 | H10 | 98.3° | 104.8° |
| C14 | C21 | H17 | 109.5° | 109.5° |
| C14 | C21 | H18 | 109.5° | 109.5° |
| C14 | C21 | H19 | 109.5° | 109.5° |
| C14 | C13 | O43 | 119.2° | 111.1° |
| C14 | C13 | C12 | 115.0° | 119.0° |
| C14 | C13 | H9 | 105.4° | 106.3° |
| C13 | C14 | H10 | 98.3° | 105.5° |
| N45 | C50 | C49 | 99.0° | 104.7° |
| C50 | N45 | C44 | 123.8° | 125.6° |
| C50 | N45 | C47 | 108.3° | 108.8° |
| N45 | C50 | H58 | 112.0° | 110.4° |
| N45 | C50 | H59 | 112.0° | 110.4° |
| C50 | C49 | C58 | 104.6° | 110.9° |
| C50 | C49 | C48 | 103.6° | 101.5° |
| C50 | C49 | C57 | 111.7° | 111.2° |
| C49 | C50 | H58 | 112.0° | 110.5° |
| C49 | C50 | H59 | 112.0° | 110.3° |
| C58 | C49 | C48 | 114.6° | 111.0° |
| C58 | C49 | C57 | 115.9° | 110.9° |
| C49 | C58 | H67 | 109.5° | 109.5° |
| C49 | C58 | H68 | 109.5° | 109.5° |
| C49 | C58 | H69 | 109.5° | 109.4° |
| N45 | C44 | O43 | 118.0° | 120.0° |
| C44 | N45 | C47 | 126.8° | 125.6° |
| C44 | O43 | C13 | 120.3° | 117.0° |
| N45 | C47 | C51 | 98.4° | 109.9° |
| N45 | C47 | C48 | 107.0° | 107.3° |
| N45 | C47 | H55 | 114.5° | 109.8° |
| N55 | C56 | C51 | 118.5° | 120.7° |
| N55 | C56 | H63 | 120.8° | 119.6° |
| N40 | C4 | C5 | 95.9° | 103.4° |
| C4 | N40 | C41 | 106.1° | 108.0° |
| N40 | C4 | H3 | 110.0° | 105.8° |
| C4 | N40 | H54 | 127.0° | 125.5° |
| C4 | C5 | C24 | 119.3° | 116.2° |
| C4 | C5 | O17 | 101.1° | 103.1° |
| C4 | C5 | C6 | 102.7° | 111.5° |
| C5 | C4 | H3 | 109.0° | 108.4° |
| C48 | C49 | C57 | 105.9° | 111.0° |
| C49 | C48 | C47 | 101.4° | 102.9° |
| C49 | C48 | H56 | 111.4° | 110.7° |
| C49 | C48 | H57 | 111.5° | 110.8° |
| C49 | C57 | H64 | 109.5° | 109.4° |
| C49 | C57 | H65 | 109.5° | 109.4° |
| C49 | C57 | H66 | 109.5° | 109.5° |
| O43 | C13 | C12 | 104.4° | 108.8° |
| O43 | C13 | H9 | 106.1° | 104.6° |
| C13 | C12 | C11 | 107.5° | 113.5° |
| C13 | C12 | C27 | 111.6° | 113.8° |
| C13 | C12 | H8 | 108.9° | 105.9° |
| C12 | C13 | H9 | 105.6° | 106.0° |
| C56 | C51 | C47 | 120.3° | 120.4° |
| C51 | C56 | H63 | 120.8° | 119.7° |
| C51 | C47 | C48 | 108.2° | 110.0° |
| C51 | C47 | H55 | 113.8° | 109.9° |
| C24 | C5 | O17 | 106.3° | 107.9° |
| C24 | C5 | C6 | 116.8° | 110.0° |
| C5 | C24 | H25 | 109.5° | 109.5° |
| C5 | C24 | H26 | 109.5° | 109.5° |
| C5 | C24 | H27 | 109.4° | 109.5° |
| C48 | C47 | H55 | 113.7° | 109.9° |
| C47 | C48 | H56 | 111.5° | 110.7° |
| C47 | C48 | H57 | 111.5° | 110.7° |
| N40 | C41 | O17 | 112.9° | 113.7° |
| N40 | C41 | O42 | 124.2° | 123.2° |
| C41 | N40 | H54 | 126.9° | 126.4° |
| O17 | C5 | C6 | 109.4° | 107.5° |
| C5 | O17 | C41 | 99.9° | 108.6° |
| C5 | C6 | O10 | 104.2° | 109.4° |
| C5 | C6 | C23 | 112.3° | 108.0° |
| C5 | C6 | H4 | 108.3° | 109.4° |
| O17 | C41 | O42 | 122.4° | 123.1° |
| C11 | C12 | C27 | 111.3° | 112.3° |
| C12 | C11 | O10 | 111.9° | 118.9° |
| C12 | C11 | O26 | 120.3° | 120.8° |
| C11 | C12 | H8 | 108.9° | 105.1° |
| C27 | C12 | H8 | 108.6° | 105.3° |
| C12 | C27 | H31 | 109.5° | 109.5° |
| C12 | C27 | H32 | 109.5° | 109.5° |
| C12 | C27 | H33 | 109.4° | 109.5° |
| O10 | C11 | O26 | 127.7° | 120.3° |
| C11 | O10 | C6 | 130.0° | 119.1° |
| O10 | C6 | C23 | 113.4° | 109.9° |
| O10 | C6 | H4 | 110.0° | 110.7° |
| C6 | C23 | C25 | 110.8° | 109.5° |
| C23 | C6 | H4 | 108.6° | 109.5° |
| C6 | C23 | H23 | 109.2° | 109.5° |
| C6 | C23 | H24 | 109.1° | 109.4° |
| C25 | C23 | H23 | 109.1° | 109.5° |
| C25 | C23 | H24 | 109.2° | 109.5° |
| C23 | C25 | H28 | 109.5° | 109.4° |
| C23 | C25 | H29 | 109.5° | 109.4° |
| C23 | C25 | H30 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.0° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.4° | 109.4° |
| H17 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H22 | 109.4° | 109.4° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H27 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.6° |
| H28 | C25 | H30 | 109.4° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H31 | C27 | H33 | 109.4° | 109.4° |
| H32 | C27 | H33 | 109.4° | 109.4° |
| H36 | C31 | H37 | 109.5° | 109.6° |
| H41 | C35 | H42 | 109.5° | 109.5° |
| H41 | C35 | H43 | 109.4° | 109.5° |
| H42 | C35 | H43 | 109.5° | 109.4° |
| H44 | C36 | H45 | 109.4° | 109.5° |
| H44 | C36 | H46 | 109.5° | 109.5° |
| H45 | C36 | H46 | 109.5° | 109.4° |
| H48 | C38 | H49 | 109.5° | 109.4° |
| H48 | C38 | H50 | 109.5° | 109.5° |
| H49 | C38 | H50 | 109.4° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.4° |
| H51 | C39 | H53 | 109.5° | 109.4° |
| H52 | C39 | H53 | 109.4° | 109.5° |
| H56 | C48 | H57 | 109.4° | 110.7° |
| H58 | C50 | H59 | 109.5° | 110.4° |
| H64 | C57 | H65 | 109.4° | 109.5° |
| H64 | C57 | H66 | 109.5° | 109.5° |
| H65 | C57 | H66 | 109.4° | 109.5° |
| H67 | C58 | H68 | 109.5° | 109.5° |
| H67 | C58 | H69 | 109.5° | 109.4° |
| H68 | C58 | H69 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N34 | C35 | C32 | 125.8° | 124.0° |
| C36 | N34 | C32 | C31 | 115.9° | 78.7° |
| C36 | N34 | C32 | C33 | 13.7° | 161.7° |
| C36 | N34 | C32 | H38 | 130.1° | 41.5° |
| C36 | N34 | C35 | H41 | 180.0° | 64.0° |
| C36 | N34 | C35 | H42 | 60.0° | 56.1° |
| C36 | N34 | C35 | H43 | 60.0° | 176.0° |
| N34 | C36 | H44 | H45 | 120.0° | 120.0° |
| N34 | C36 | H44 | H46 | 120.0° | 120.0° |
| N34 | C36 | H45 | H46 | 120.0° | 120.0° |
| C35 | N34 | C32 | C31 | 117.3° | 45.2° |
| C35 | N34 | C32 | C33 | 113.1° | 74.4° |
| C35 | N34 | C32 | H38 | 3.3° | 165.4° |
| N34 | C35 | H41 | H42 | 120.0° | 120.0° |
| N34 | C35 | H41 | H43 | 120.0° | 120.0° |
| N34 | C35 | H42 | H43 | 120.0° | 120.0° |
| C35 | N34 | C36 | H44 | 180.0° | 65.0° |
| C35 | N34 | C36 | H45 | 60.0° | 175.0° |
| C35 | N34 | C36 | H46 | 60.0° | 55.0° |
| N34 | C32 | C31 | C33 | 130.3° | 119.9° |
| N34 | C32 | C31 | H38 | 114.4° | 120.2° |
| N34 | C32 | C31 | C30 | 179.4° | 176.8° |
| N34 | C32 | C33 | H38 | 116.9° | 120.2° |
| N34 | C32 | C33 | O37 | 70.6° | 63.2° |
| N34 | C32 | C33 | C28 | 172.2° | 176.9° |
| N34 | C32 | C31 | H36 | 60.8° | 57.0° |
| N34 | C32 | C31 | H37 | 59.7° | 63.2° |
| N34 | C32 | C33 | H39 | 51.0° | 56.9° |
| C32 | N34 | C35 | H41 | 54.2° | 60.0° |
| C32 | N34 | C35 | H42 | 65.8° | 180.0° |
| C32 | N34 | C35 | H43 | 174.2° | 60.0° |
| C32 | N34 | C36 | H44 | 55.6° | 58.9° |
| C32 | N34 | C36 | H45 | 175.6° | 61.1° |
| C32 | N34 | C36 | H46 | 64.4° | 179.0° |
| C32 | C31 | C30 | H36 | 119.8° | 119.8° |
| C32 | C31 | C30 | H37 | 119.8° | 119.9° |
| C32 | C31 | C30 | C38 | 178.8° | 177.6° |
| C31 | C32 | C33 | H38 | 115.3° | 119.9° |
| C32 | C31 | C30 | O29 | 61.0° | 57.6° |
| C31 | C32 | C33 | O37 | 161.7° | 176.9° |
| C31 | C32 | C33 | C28 | 44.4° | 56.9° |
| C32 | C31 | C30 | H35 | 59.3° | 62.4° |
| C32 | C31 | H36 | H37 | 120.7° | 120.1° |
| C31 | C32 | C33 | H39 | 76.7° | 63.1° |
| C31 | C30 | C38 | O29 | 120.1° | 120.0° |
| C31 | C30 | C38 | H35 | 119.3° | 120.0° |
| C30 | C31 | C32 | C33 | 49.1° | 56.9° |
| C31 | C30 | O29 | H35 | 119.4° | 120.0° |
| C31 | C30 | O29 | C28 | 70.8° | 61.1° |
| C30 | C31 | H36 | H37 | 120.7° | 120.2° |
| C30 | C31 | C32 | H38 | 66.1° | 62.9° |
| C31 | C30 | C38 | H48 | 180.0° | 180.0° |
| C31 | C30 | C38 | H49 | 60.0° | 60.1° |
| C31 | C30 | C38 | H50 | 60.0° | 59.9° |
| C38 | C30 | O29 | H35 | 119.8° | 120.0° |
| C38 | C30 | O29 | C28 | 168.3° | 178.9° |
| C38 | C30 | C31 | H36 | 59.0° | 57.7° |
| C38 | C30 | C31 | H37 | 61.4° | 62.5° |
| C30 | C38 | H48 | H49 | 120.1° | 120.0° |
| C30 | C38 | H48 | H50 | 120.0° | 120.0° |
| C30 | C38 | H49 | H50 | 120.0° | 120.0° |
| C32 | C33 | O37 | C28 | 117.4° | 119.7° |
| C32 | C33 | O37 | H39 | 120.6° | 120.1° |
| C32 | C33 | C28 | H39 | 121.1° | 119.9° |
| C32 | C33 | C28 | O29 | 52.2° | 57.6° |
| C32 | C33 | C28 | O20 | 167.1° | 177.6° |
| C32 | C33 | C28 | H34 | 70.1° | 62.4° |
| C33 | C32 | C31 | H36 | 168.8° | 63.0° |
| C33 | C32 | C31 | H37 | 70.7° | 176.9° |
| C32 | C33 | O37 | H47 | 180.0° | 180.0° |
| C30 | O29 | C28 | C33 | 66.6° | 61.2° |
| C30 | O29 | C28 | O20 | 172.5° | 178.9° |
| C30 | O29 | C28 | H34 | 54.7° | 58.9° |
| O29 | C30 | C31 | H36 | 179.2° | 62.3° |
| O29 | C30 | C31 | H37 | 58.7° | 177.5° |
| O29 | C30 | C38 | H48 | 59.9° | 60.0° |
| O29 | C30 | C38 | H49 | 180.0° | 180.0° |
| O29 | C30 | C38 | H50 | 60.1° | 60.0° |
| O37 | C33 | C28 | H39 | 123.0° | 120.2° |
| O37 | C33 | C28 | O29 | 168.1° | 177.5° |
| O37 | C33 | C28 | O20 | 77.0° | 62.5° |
| O37 | C33 | C28 | H34 | 45.9° | 57.5° |
| O37 | C33 | C32 | H38 | 46.4° | 57.0° |
| C33 | C28 | O29 | O20 | 121.0° | 120.0° |
| C33 | C28 | O29 | H34 | 121.2° | 120.0° |
| C33 | C28 | O20 | H34 | 121.7° | 120.0° |
| C33 | C28 | O20 | C8 | 160.9° | 175.0° |
| C28 | C33 | C32 | H38 | 70.9° | 62.9° |
| C28 | C33 | O37 | H47 | 62.6° | 60.4° |
| C19 | C2 | C7 | C3 | 121.4° | 119.1° |
| C19 | C2 | C7 | H2 | 117.5° | 120.1° |
| C19 | C2 | C3 | H2 | 123.4° | 119.7° |
| C19 | C2 | C7 | C9 | 138.3° | 149.6° |
| C19 | C2 | C3 | O15 | 65.5° | 113.3° |
| C19 | C2 | C3 | C1 | 114.4° | 65.7° |
| C19 | C2 | C7 | H5 | 101.8° | 89.7° |
| C19 | C2 | C7 | H6 | 18.4° | 29.6° |
| C2 | C19 | H14 | H15 | 120.0° | 120.0° |
| C2 | C19 | H14 | H16 | 120.0° | 120.0° |
| C2 | C19 | H15 | H16 | 120.0° | 120.0° |
| O29 | C28 | O20 | H34 | 117.7° | 120.0° |
| O29 | C28 | O20 | C8 | 78.5° | 65.0° |
| C28 | O29 | C30 | H35 | 48.6° | 58.9° |
| O29 | C28 | C33 | H39 | 68.9° | 62.3° |
| C28 | O20 | C8 | C9 | 131.9° | 141.9° |
| C28 | O20 | C8 | C14 | 92.3° | 90.0° |
| C28 | O20 | C8 | H7 | 20.1° | 25.8° |
| O20 | C28 | C33 | H39 | 46.0° | 57.7° |
| O20 | C8 | C9 | C22 | 88.2° | 120.4° |
| O20 | C8 | C9 | C7 | 23.1° | 2.1° |
| O20 | C8 | C9 | C14 | 131.2° | 125.5° |
| O20 | C8 | C9 | H7 | 112.4° | 115.6° |
| O20 | C8 | C9 | O18 | 145.4° | 119.3° |
| O20 | C8 | C14 | H7 | 112.8° | 115.3° |
| O20 | C8 | C14 | C21 | 21.2° | 175.9° |
| O20 | C8 | C14 | C13 | 173.7° | 50.7° |
| O20 | C8 | C14 | H10 | 83.5° | 63.5° |
| C8 | O20 | C28 | H34 | 39.1° | 55.0° |
| C7 | C2 | C3 | H2 | 121.0° | 121.6° |
| C2 | C7 | C9 | C22 | 65.0° | 74.9° |
| C2 | C7 | C9 | H5 | 119.9° | 120.2° |
| C2 | C7 | C9 | H6 | 119.9° | 120.2° |
| C2 | C7 | C9 | C8 | 177.1° | 166.5° |
| C2 | C7 | C9 | O18 | 55.3° | 42.8° |
| C7 | C2 | C3 | O15 | 50.1° | 5.3° |
| C7 | C2 | C3 | C1 | 129.9° | 175.6° |
| C2 | C7 | H5 | H6 | 120.4° | 119.5° |
| C7 | C2 | C19 | H14 | 180.0° | 60.0° |
| C7 | C2 | C19 | H15 | 60.0° | 180.0° |
| C7 | C2 | C19 | H16 | 60.0° | 60.0° |
| C3 | C2 | C7 | C9 | 100.4° | 91.3° |
| C2 | C3 | O15 | C1 | 180.0° | 179.1° |
| C2 | C3 | C1 | C16 | 141.4° | 117.6° |
| C2 | C3 | C1 | C4 | 92.8° | 112.3° |
| C2 | C3 | C1 | H1 | 24.8° | 4.2° |
| C3 | C2 | C7 | H5 | 19.5° | 29.4° |
| C3 | C2 | C7 | H6 | 139.8° | 148.7° |
| C3 | C2 | C19 | H14 | 61.1° | 59.3° |
| C3 | C2 | C19 | H15 | 178.9° | 60.8° |
| C3 | C2 | C19 | H16 | 58.9° | 179.2° |
| C22 | C9 | C7 | C8 | 112.1° | 118.5° |
| C22 | C9 | C7 | O18 | 120.3° | 117.7° |
| C22 | C9 | C8 | O18 | 126.5° | 120.3° |
| C22 | C9 | C8 | C14 | 140.6° | 114.1° |
| C22 | C9 | O18 | C39 | 13.1° | 16.4° |
| C22 | C9 | C7 | H5 | 175.1° | 164.9° |
| C22 | C9 | C7 | H6 | 54.9° | 45.2° |
| C22 | C9 | C8 | H7 | 24.2° | 4.8° |
| C9 | C22 | H20 | H21 | 120.0° | 120.0° |
| C9 | C22 | H20 | H22 | 120.0° | 120.0° |
| C9 | C22 | H21 | H22 | 120.0° | 120.0° |
| C7 | C9 | C8 | O18 | 122.2° | 121.4° |
| C7 | C9 | C8 | C14 | 108.1° | 127.6° |
| C7 | C9 | O18 | C39 | 125.6° | 133.7° |
| C9 | C7 | C2 | H2 | 20.8° | 29.5° |
| C9 | C7 | H5 | H6 | 120.3° | 119.8° |
| C7 | C9 | C8 | H7 | 135.5° | 113.5° |
| C7 | C9 | C22 | H20 | 180.0° | 60.0° |
| C7 | C9 | C22 | H21 | 60.0° | 180.0° |
| C7 | C9 | C22 | H22 | 60.0° | 60.0° |
| C9 | C8 | C14 | H7 | 116.3° | 118.9° |
| C8 | C9 | O18 | C39 | 108.1° | 103.8° |
| C9 | C8 | C14 | C21 | 152.0° | 58.3° |
| C9 | C8 | C14 | C13 | 55.4° | 75.1° |
| C8 | C9 | C7 | H5 | 63.0° | 46.3° |
| C8 | C9 | C7 | H6 | 57.2° | 73.3° |
| C9 | C8 | C14 | H10 | 47.4° | 170.7° |
| C8 | C9 | C22 | H20 | 61.4° | 179.7° |
| C8 | C9 | C22 | H21 | 58.7° | 60.3° |
| C8 | C9 | C22 | H22 | 178.7° | 59.8° |
| O18 | C9 | C8 | C14 | 14.2° | 6.2° |
| O18 | C9 | C7 | H5 | 64.6° | 77.4° |
| O18 | C9 | C7 | H6 | 175.2° | 162.9° |
| O18 | C9 | C8 | H7 | 102.2° | 125.1° |
| O18 | C9 | C22 | H20 | 65.9° | 57.6° |
| O18 | C9 | C22 | H21 | 174.1° | 62.4° |
| O18 | C9 | C22 | H22 | 54.1° | 177.6° |
| C9 | O18 | C39 | H51 | 180.0° | 58.3° |
| C9 | O18 | C39 | H52 | 60.0° | 61.6° |
| C9 | O18 | C39 | H53 | 60.0° | 178.3° |
| O15 | C3 | C1 | C16 | 38.5° | 61.4° |
| O15 | C3 | C1 | C4 | 87.2° | 68.7° |
| O15 | C3 | C1 | H1 | 155.2° | 174.9° |
| O15 | C3 | C2 | H2 | 171.1° | 126.9° |
| C3 | C1 | C16 | C4 | 127.5° | 131.5° |
| C3 | C1 | C16 | H1 | 116.9° | 113.8° |
| C3 | C1 | C4 | H1 | 117.7° | 116.5° |
| C3 | C1 | C4 | N40 | 179.0° | 175.8° |
| C3 | C1 | C4 | C5 | 68.6° | 56.1° |
| C1 | C3 | C2 | H2 | 8.9° | 54.0° |
| C3 | C1 | C4 | H3 | 61.1° | 69.3° |
| C3 | C1 | C16 | H11 | 180.0° | 168.4° |
| C3 | C1 | C16 | H12 | 60.0° | 48.5° |
| C3 | C1 | C16 | H13 | 60.0° | 71.5° |
| C8 | C14 | C21 | C13 | 150.7° | 131.5° |
| C8 | C14 | C21 | H10 | 104.6° | 112.2° |
| C8 | C14 | C13 | H10 | 102.8° | 113.6° |
| C8 | C14 | C13 | O43 | 98.2° | 10.3° |
| C8 | C14 | C13 | C12 | 136.6° | 137.8° |
| C8 | C14 | C13 | H9 | 20.7° | 102.9° |
| C8 | C14 | C21 | H17 | 180.0° | 94.6° |
| C8 | C14 | C21 | H18 | 60.0° | 145.5° |
| C8 | C14 | C21 | H19 | 60.0° | 25.5° |
| C54 | C53 | C52 | H61 | 180.0° | 180.0° |
| C53 | C54 | N55 | H62 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 1.3° | 0.0° |
| C53 | C54 | N55 | C56 | 1.8° | 0.0° |
| C54 | C53 | C52 | H60 | 178.7° | 180.0° |
| C52 | C53 | C54 | N55 | 3.6° | 0.0° |
| C53 | C52 | C51 | H60 | 180.0° | 180.0° |
| C53 | C52 | C51 | C56 | 2.7° | 0.0° |
| C53 | C52 | C51 | C47 | 170.8° | 179.7° |
| C52 | C53 | C54 | H62 | 176.4° | 180.0° |
| C16 | C1 | C4 | H1 | 115.4° | 114.2° |
| C16 | C1 | C4 | N40 | 52.0° | 46.5° |
| C16 | C1 | C4 | C5 | 58.3° | 73.2° |
| C16 | C1 | C4 | H3 | 172.0° | 161.4° |
| C1 | C16 | H11 | H12 | 120.0° | 119.9° |
| C1 | C16 | H11 | H13 | 120.0° | 120.0° |
| C1 | C16 | H12 | H13 | 120.0° | 120.0° |
| C1 | C4 | N40 | C5 | 127.7° | 129.7° |
| C1 | C4 | N40 | H3 | 119.6° | 116.4° |
| C1 | C4 | C5 | H3 | 129.8° | 125.3° |
| C1 | C4 | C5 | C24 | 45.2° | 22.3° |
| C1 | C4 | N40 | C41 | 97.4° | 143.8° |
| C1 | C4 | C5 | O17 | 70.7° | 140.0° |
| C1 | C4 | C5 | C6 | 176.3° | 104.9° |
| C4 | C1 | C16 | H11 | 52.5° | 60.0° |
| C4 | C1 | C16 | H12 | 172.5° | 180.0° |
| C4 | C1 | C16 | H13 | 67.5° | 60.0° |
| C1 | C4 | N40 | H54 | 82.6° | 35.5° |
| C54 | N55 | C56 | C51 | 2.4° | 0.0° |
| N55 | C54 | C53 | H61 | 176.4° | 180.0° |
| C54 | N55 | C56 | H63 | 177.6° | 179.8° |
| C52 | C51 | C47 | N45 | 42.1° | 141.2° |
| C52 | C51 | C56 | N55 | 4.5° | 0.0° |
| C52 | C51 | C56 | C47 | 168.1° | 179.7° |
| C52 | C51 | C47 | C48 | 69.0° | 100.9° |
| C52 | C51 | C47 | H55 | 163.6° | 20.2° |
| C51 | C52 | C53 | H61 | 178.8° | 180.0° |
| C52 | C51 | C56 | H63 | 175.5° | 179.8° |
| O46 | C44 | N45 | C50 | 2.3° | 164.6° |
| O46 | C44 | N45 | O43 | 179.7° | 179.9° |
| O46 | C44 | N45 | C47 | 168.9° | 15.1° |
| O46 | C44 | O43 | C13 | 25.4° | 11.0° |
| O18 | C39 | H51 | H52 | 120.0° | 120.0° |
| O18 | C39 | H51 | H53 | 120.0° | 120.0° |
| O18 | C39 | H52 | H53 | 120.0° | 120.1° |
| C21 | C14 | C13 | H10 | 104.7° | 116.0° |
| C21 | C14 | C13 | O43 | 54.3° | 120.1° |
| C21 | C14 | C13 | C12 | 70.9° | 7.4° |
| C21 | C14 | C8 | H7 | 91.7° | 60.6° |
| C21 | C14 | C13 | H9 | 173.2° | 126.7° |
| C14 | C21 | H17 | H18 | 120.0° | 120.0° |
| C14 | C21 | H17 | H19 | 120.0° | 120.0° |
| C14 | C21 | H18 | H19 | 120.0° | 120.0° |
| C14 | C13 | O43 | C44 | 57.1° | 135.5° |
| C14 | C13 | O43 | C12 | 130.1° | 132.9° |
| C14 | C13 | O43 | H9 | 118.5° | 114.3° |
| C14 | C13 | C12 | H9 | 115.8° | 119.5° |
| C14 | C13 | C12 | C11 | 124.9° | 69.6° |
| C14 | C13 | C12 | C27 | 112.8° | 60.4° |
| C13 | C14 | C8 | H7 | 60.9° | 165.9° |
| C14 | C13 | C12 | H8 | 7.1° | 175.6° |
| C13 | C14 | C21 | H17 | 29.4° | 36.9° |
| C13 | C14 | C21 | H18 | 149.3° | 83.1° |
| C13 | C14 | C21 | H19 | 90.7° | 156.9° |
| N45 | C50 | C49 | H58 | 118.3° | 118.8° |
| N45 | C50 | C49 | H59 | 118.3° | 118.8° |
| N45 | C50 | C49 | C58 | 165.5° | 155.3° |
| C50 | N45 | C44 | C47 | 166.6° | 179.6° |
| C50 | N45 | C44 | O43 | 178.0° | 15.4° |
| N45 | C50 | C49 | C48 | 45.1° | 37.3° |
| N45 | C50 | C49 | C57 | 68.4° | 80.8° |
| C50 | N45 | C47 | C51 | 94.7° | 118.3° |
| C50 | N45 | C47 | C48 | 17.4° | 1.3° |
| C50 | N45 | C47 | H55 | 144.3° | 120.7° |
| N45 | C50 | H58 | H59 | 124.9° | 122.4° |
| C50 | C49 | C58 | C48 | 112.7° | 112.1° |
| C50 | C49 | C58 | C57 | 123.4° | 124.0° |
| C49 | C50 | N45 | C44 | 152.9° | 155.8° |
| C49 | C50 | N45 | C47 | 38.4° | 24.5° |
| C50 | C49 | C48 | C57 | 117.6° | 118.2° |
| C50 | C49 | C48 | C47 | 35.1° | 35.6° |
| C50 | C49 | C48 | H56 | 83.6° | 154.0° |
| C50 | C49 | C48 | H57 | 153.8° | 82.8° |
| C49 | C50 | H58 | H59 | 124.9° | 122.3° |
| C50 | C49 | C57 | H64 | 180.0° | 172.2° |
| C50 | C49 | C57 | H65 | 60.0° | 67.9° |
| C50 | C49 | C57 | H66 | 60.0° | 52.2° |
| C50 | C49 | C58 | H67 | 180.0° | 52.1° |
| C50 | C49 | C58 | H68 | 60.0° | 67.9° |
| C50 | C49 | C58 | H69 | 60.0° | 172.0° |
| C58 | C49 | C48 | C57 | 129.1° | 123.9° |
| C58 | C49 | C48 | C47 | 148.4° | 153.6° |
| C58 | C49 | C48 | H56 | 29.7° | 88.0° |
| C58 | C49 | C48 | H57 | 92.9° | 35.2° |
| C58 | C49 | C50 | H58 | 47.2° | 36.5° |
| C58 | C49 | C50 | H59 | 76.2° | 85.9° |
| C58 | C49 | C57 | H64 | 60.4° | 63.9° |
| C58 | C49 | C57 | H65 | 59.6° | 56.1° |
| C58 | C49 | C57 | H66 | 179.6° | 176.1° |
| C49 | C58 | H67 | H68 | 120.0° | 120.1° |
| C49 | C58 | H67 | H69 | 120.0° | 119.9° |
| C49 | C58 | H68 | H69 | 120.0° | 120.0° |
| N45 | C44 | O43 | C13 | 154.9° | 169.0° |
| C44 | N45 | C47 | C51 | 73.5° | 61.4° |
| C44 | N45 | C47 | C48 | 174.4° | 179.0° |
| C44 | N45 | C47 | H55 | 47.4° | 59.6° |
| C44 | N45 | C50 | H58 | 88.8° | 85.3° |
| C44 | N45 | C50 | H59 | 34.6° | 37.1° |
| O43 | C44 | N45 | C47 | 11.5° | 165.0° |
| C44 | O43 | C13 | C12 | 172.8° | 91.6° |
| C44 | O43 | C13 | H9 | 61.5° | 21.2° |
| N45 | C47 | C48 | C49 | 11.6° | 22.1° |
| N45 | C47 | C51 | C56 | 125.8° | 38.5° |
| N45 | C47 | C51 | C48 | 111.1° | 117.9° |
| N45 | C47 | C51 | H55 | 121.5° | 121.0° |
| N45 | C47 | C48 | H55 | 127.4° | 119.4° |
| N45 | C47 | C48 | H56 | 107.1° | 140.5° |
| N45 | C47 | C48 | H57 | 130.3° | 96.3° |
| C47 | N45 | C50 | H58 | 79.9° | 94.4° |
| C47 | N45 | C50 | H59 | 156.7° | 143.2° |
| N55 | C56 | C51 | H63 | 180.0° | 179.7° |
| N55 | C56 | C51 | C47 | 172.6° | 179.7° |
| C56 | N55 | C54 | H62 | 178.1° | 180.0° |
| N40 | C4 | C5 | H3 | 113.5° | 111.9° |
| N40 | C4 | C5 | C24 | 161.9° | 100.5° |
| C4 | N40 | C41 | H54 | 180.0° | 179.2° |
| N40 | C4 | C5 | O17 | 46.0° | 17.3° |
| N40 | C4 | C5 | C6 | 67.0° | 132.3° |
| C4 | N40 | C41 | O17 | 3.5° | 4.9° |
| C4 | N40 | C41 | O42 | 176.6° | 174.5° |
| N40 | C4 | C1 | H1 | 63.4° | 67.7° |
| C4 | C5 | C24 | O17 | 113.2° | 115.1° |
| C4 | C5 | C24 | C6 | 124.5° | 127.9° |
| C5 | C4 | N40 | C41 | 30.3° | 14.1° |
| C4 | C5 | O17 | C6 | 107.9° | 117.9° |
| C4 | C5 | O17 | C41 | 45.2° | 15.4° |
| C4 | C5 | C6 | O10 | 102.8° | 108.5° |
| C4 | C5 | C6 | C23 | 134.1° | 131.9° |
| C5 | C4 | C1 | H1 | 173.7° | 172.6° |
| C4 | C5 | C6 | H4 | 14.3° | 12.8° |
| C4 | C5 | C24 | H25 | 180.0° | 55.0° |
| C4 | C5 | C24 | H26 | 60.0° | 175.0° |
| C4 | C5 | C24 | H27 | 60.0° | 65.0° |
| C5 | C4 | N40 | H54 | 149.7° | 165.1° |
| C49 | C48 | C47 | C51 | 116.8° | 141.7° |
| C49 | C48 | C47 | H56 | 118.7° | 118.4° |
| C49 | C48 | C47 | H57 | 118.7° | 118.5° |
| C49 | C48 | C47 | H55 | 115.8° | 97.2° |
| C49 | C48 | H56 | H57 | 123.7° | 123.3° |
| C48 | C49 | C50 | H58 | 73.2° | 81.6° |
| C48 | C49 | C50 | H59 | 163.4° | 156.0° |
| C48 | C49 | C57 | H64 | 67.9° | 60.1° |
| C48 | C49 | C57 | H65 | 172.1° | 180.0° |
| C48 | C49 | C57 | H66 | 52.1° | 60.0° |
| C48 | C49 | C58 | H67 | 67.3° | 59.9° |
| C48 | C49 | C58 | H68 | 52.8° | 180.0° |
| C48 | C49 | C58 | H69 | 172.7° | 60.0° |
| C57 | C49 | C48 | C47 | 82.6° | 82.6° |
| C57 | C49 | C48 | H56 | 158.7° | 35.8° |
| C57 | C49 | C48 | H57 | 36.2° | 159.1° |
| C57 | C49 | C50 | H58 | 173.3° | 160.4° |
| C57 | C49 | C50 | H59 | 49.9° | 38.0° |
| C49 | C57 | H64 | H65 | 120.0° | 119.9° |
| C49 | C57 | H64 | H66 | 120.0° | 120.1° |
| C49 | C57 | H65 | H66 | 120.0° | 120.1° |
| C57 | C49 | C58 | H67 | 56.6° | 176.2° |
| C57 | C49 | C58 | H68 | 176.6° | 56.1° |
| C57 | C49 | C58 | H69 | 63.4° | 63.9° |
| O43 | C13 | C12 | H9 | 111.7° | 111.9° |
| O43 | C13 | C12 | C11 | 102.6° | 58.9° |
| O43 | C13 | C12 | C27 | 19.7° | 171.1° |
| O43 | C13 | C12 | H8 | 139.6° | 55.9° |
| O43 | C13 | C14 | H10 | 159.0° | 123.9° |
| C13 | C12 | C11 | C27 | 122.5° | 130.8° |
| C13 | C12 | C11 | H8 | 117.8° | 115.3° |
| C13 | C12 | C27 | H8 | 120.1° | 115.5° |
| C13 | C12 | C11 | O10 | 122.7° | 79.1° |
| C13 | C12 | C11 | O26 | 58.5° | 102.8° |
| C12 | C13 | C14 | H10 | 33.8° | 108.6° |
| C13 | C12 | C27 | H31 | 180.0° | 174.4° |
| C13 | C12 | C27 | H32 | 60.0° | 54.3° |
| C13 | C12 | C27 | H33 | 60.0° | 65.7° |
| C56 | C51 | C47 | C48 | 123.1° | 79.4° |
| C56 | C51 | C47 | H55 | 4.3° | 159.5° |
| C56 | C51 | C52 | H60 | 177.3° | 180.0° |
| C51 | C47 | C48 | H55 | 127.5° | 121.1° |
| C51 | C47 | C48 | H56 | 1.9° | 100.0° |
| C51 | C47 | C48 | H57 | 124.5° | 23.2° |
| C47 | C51 | C52 | H60 | 9.2° | 0.3° |
| C47 | C51 | C56 | H63 | 7.4° | 0.0° |
| C24 | C5 | O17 | C6 | 126.9° | 118.6° |
| C24 | C5 | O17 | C41 | 170.4° | 108.1° |
| C24 | C5 | C6 | O10 | 29.7° | 21.9° |
| C24 | C5 | C6 | C23 | 93.3° | 97.6° |
| C24 | C5 | C4 | H3 | 84.6° | 147.5° |
| C24 | C5 | C6 | H4 | 146.8° | 143.3° |
| C5 | C24 | H25 | H26 | 120.0° | 120.0° |
| C5 | C24 | H25 | H27 | 120.0° | 120.0° |
| C5 | C24 | H26 | H27 | 120.0° | 120.0° |
| C47 | C48 | H56 | H57 | 123.8° | 123.2° |
| N40 | C41 | O17 | C5 | 27.0° | 7.1° |
| N40 | C41 | O17 | O42 | 173.2° | 179.3° |
| C41 | N40 | C4 | H3 | 143.0° | 99.8° |
| C5 | O17 | C41 | O42 | 146.2° | 173.5° |
| O17 | C5 | C6 | O10 | 150.4° | 139.1° |
| O17 | C5 | C6 | C23 | 27.4° | 19.6° |
| O17 | C5 | C4 | H3 | 159.5° | 94.7° |
| O17 | C5 | C6 | H4 | 92.5° | 99.5° |
| O17 | C5 | C24 | H25 | 66.8° | 170.2° |
| O17 | C5 | C24 | H26 | 53.2° | 69.8° |
| O17 | C5 | C24 | H27 | 173.2° | 50.2° |
| C6 | C5 | O17 | C41 | 62.7° | 133.3° |
| C5 | C6 | O10 | C11 | 125.2° | 173.4° |
| C5 | C6 | O10 | C23 | 122.3° | 118.4° |
| C5 | C6 | O10 | H4 | 115.9° | 120.6° |
| C5 | C6 | C23 | H4 | 119.7° | 119.0° |
| C5 | C6 | C23 | C25 | 134.9° | 64.8° |
| C6 | C5 | C4 | H3 | 46.5° | 20.4° |
| C5 | C6 | C23 | H23 | 104.9° | 175.1° |
| C5 | C6 | C23 | H24 | 14.7° | 55.2° |
| C6 | C5 | C24 | H25 | 55.5° | 72.8° |
| C6 | C5 | C24 | H26 | 175.5° | 47.2° |
| C6 | C5 | C24 | H27 | 64.5° | 167.2° |
| O17 | C41 | N40 | H54 | 176.5° | 174.4° |
| C11 | C12 | C27 | H8 | 119.8° | 113.9° |
| C12 | C11 | O10 | O26 | 178.7° | 178.1° |
| C12 | C11 | O10 | C6 | 170.9° | 173.2° |
| C11 | C12 | C13 | H9 | 9.1° | 170.9° |
| C11 | C12 | C27 | H31 | 59.8° | 55.0° |
| C11 | C12 | C27 | H32 | 179.9° | 175.0° |
| C11 | C12 | C27 | H33 | 60.1° | 65.0° |
| C27 | C12 | C11 | O10 | 114.8° | 150.1° |
| C27 | C12 | C11 | O26 | 64.0° | 28.0° |
| C27 | C12 | C13 | H9 | 131.4° | 59.1° |
| C12 | C27 | H31 | H32 | 120.0° | 120.1° |
| C12 | C27 | H31 | H33 | 120.0° | 120.0° |
| C12 | C27 | H32 | H33 | 120.0° | 120.0° |
| O42 | C41 | N40 | H54 | 3.4° | 6.3° |
| C11 | O10 | C6 | C23 | 112.5° | 68.2° |
| C11 | O10 | C6 | H4 | 9.3° | 52.8° |
| O10 | C11 | C12 | H8 | 4.9° | 36.2° |
| O26 | C11 | O10 | C6 | 10.5° | 4.9° |
| O26 | C11 | C12 | H8 | 176.3° | 141.9° |
| O10 | C6 | C23 | H4 | 122.6° | 121.7° |
| O10 | C6 | C23 | C25 | 17.2° | 54.4° |
| O10 | C6 | C23 | H23 | 137.4° | 65.6° |
| O10 | C6 | C23 | H24 | 103.0° | 174.4° |
| C6 | C23 | C25 | H23 | 120.2° | 120.0° |
| C6 | C23 | C25 | H24 | 120.2° | 120.0° |
| C6 | C23 | H23 | H24 | 119.4° | 119.9° |
| C6 | C23 | C25 | H28 | 180.0° | 55.1° |
| C6 | C23 | C25 | H29 | 60.0° | 65.0° |
| C6 | C23 | C25 | H30 | 60.0° | 175.0° |
| C25 | C23 | C6 | H4 | 105.4° | 176.2° |
| C25 | C23 | H23 | H24 | 119.4° | 120.0° |
| C23 | C25 | H28 | H29 | 120.0° | 120.0° |
| C23 | C25 | H28 | H30 | 120.0° | 119.9° |
| C23 | C25 | H29 | H30 | 120.0° | 119.9° |
| H1 | C1 | C4 | H3 | 56.6° | 47.2° |
| H1 | C1 | C16 | H11 | 63.1° | 54.6° |
| H1 | C1 | C16 | H12 | 56.9° | 65.4° |
| H1 | C1 | C16 | H13 | 176.9° | 174.6° |
| H2 | C2 | C7 | H5 | 140.7° | 150.2° |
| H2 | C2 | C7 | H6 | 99.1° | 90.5° |
| H2 | C2 | C19 | H14 | 62.4° | 179.1° |
| H2 | C2 | C19 | H15 | 57.6° | 59.0° |
| H2 | C2 | C19 | H16 | 177.6° | 61.0° |
| H3 | C4 | N40 | H54 | 37.0° | 81.0° |
| H4 | C6 | C23 | H23 | 14.8° | 56.1° |
| H4 | C6 | C23 | H24 | 134.4° | 63.8° |
| H7 | C8 | C14 | H10 | 163.7° | 51.8° |
| H8 | C12 | C13 | H9 | 108.7° | 56.0° |
| H8 | C12 | C27 | H31 | 60.0° | 58.8° |
| H8 | C12 | C27 | H32 | 60.1° | 61.2° |
| H8 | C12 | C27 | H33 | 179.9° | 178.8° |
| H9 | C13 | C14 | H10 | 82.1° | 10.7° |
| H10 | C14 | C21 | H17 | 75.3° | 153.3° |
| H10 | C14 | C21 | H18 | 44.6° | 33.3° |
| H10 | C14 | C21 | H19 | 164.6° | 86.7° |
| H11 | C16 | H12 | H13 | 120.0° | 120.1° |
| H14 | C19 | H15 | H16 | 120.0° | 119.9° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H20 | C22 | H21 | H22 | 120.0° | 120.0° |
| H23 | C23 | C25 | H28 | 59.8° | 175.1° |
| H23 | C23 | C25 | H29 | 179.8° | 55.0° |
| H23 | C23 | C25 | H30 | 60.2° | 65.0° |
| H24 | C23 | C25 | H28 | 59.8° | 64.9° |
| H24 | C23 | C25 | H29 | 60.2° | 175.0° |
| H24 | C23 | C25 | H30 | 179.8° | 55.0° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| H28 | C25 | H29 | H30 | 119.9° | 120.0° |
| H31 | C27 | H32 | H33 | 120.0° | 119.9° |
| H34 | C28 | C33 | H39 | 168.8° | 177.7° |
| H35 | C30 | C31 | H36 | 60.4° | 177.7° |
| H35 | C30 | C31 | H37 | 179.1° | 57.5° |
| H35 | C30 | C38 | H48 | 60.7° | 60.0° |
| H35 | C30 | C38 | H49 | 59.4° | 59.9° |
| H35 | C30 | C38 | H50 | 179.3° | 179.9° |
| H36 | C31 | C32 | H38 | 53.6° | 177.2° |
| H37 | C31 | C32 | H38 | 174.1° | 57.0° |
| H38 | C32 | C33 | H39 | 168.0° | 177.1° |
| H39 | C33 | O37 | H47 | 59.5° | 59.9° |
| H41 | C35 | H42 | H43 | 119.9° | 120.0° |
| H44 | C36 | H45 | H46 | 120.0° | 120.0° |
| H48 | C38 | H49 | H50 | 120.0° | 120.0° |
| H51 | C39 | H52 | H53 | 120.0° | 119.9° |
| H55 | C47 | C48 | H56 | 125.5° | 21.2° |
| H55 | C47 | C48 | H57 | 2.9° | 144.3° |
| H60 | C52 | C53 | H61 | 1.2° | 0.0° |
| H61 | C53 | C54 | H62 | 3.6° | 0.0° |
| H64 | C57 | H65 | H66 | 120.0° | 120.0° |
| H67 | C58 | H68 | H69 | 120.0° | 119.9° |
