1F3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C36 | N34 | sing | 1.47Å | 1.47Å | |
| C38 | C30 | sing | 1.53Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| N34 | C32 | sing | 1.47Å | 1.48Å | |
| C30 | O29 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O29 | C28 | sing | 1.43Å | 1.42Å | |
| C33 | C28 | sing | 1.53Å | 1.52Å | |
| C33 | O37 | sing | 1.43Å | 1.42Å | |
| C19 | C2 | sing | 1.53Å | 1.51Å | |
| C28 | O20 | sing | 1.43Å | 1.42Å | |
| C22 | C9 | sing | 1.52Å | 1.50Å | |
| C2 | C7 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.50Å | 1.51Å | |
| C7 | C9 | sing | 1.52Å | 1.52Å | |
| O20 | C8 | sing | 1.44Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | O18 | sing | 1.45Å | 1.44Å | |
| C3 | O15 | doub | 1.21Å | 1.22Å | |
| C3 | C1 | sing | 1.51Å | 1.49Å | |
| C8 | C14 | sing | 1.52Å | 1.53Å | |
| C48 | C47 | sing | 1.54Å | 1.51Å | |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C52 | C53 | doub | 1.38Å | 1.37Å | Aromatic |
| C52 | C51 | sing | 1.38Å | 1.37Å | Aromatic |
| O18 | C39 | sing | 1.43Å | 1.42Å | |
| C47 | C51 | sing | 1.51Å | 1.48Å | |
| C47 | N45 | sing | 1.47Å | 1.43Å | |
| C16 | C1 | sing | 1.54Å | 1.51Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | doub | 1.31Å | 1.50Å | |
| O46 | C44 | doub | 1.22Å | 1.22Å | |
| C53 | C54 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C21 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C51 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| N45 | C44 | sing | 1.35Å | 1.37Å | |
| N45 | C50 | sing | 1.38Å | 1.44Å | |
| C44 | O43 | sing | 1.35Å | 1.36Å | |
| O43 | C13 | sing | 1.45Å | 1.42Å | |
| C4 | N40 | sing | 1.47Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C54 | N57 | sing | 1.40Å | 1.39Å | |
| C54 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| N40 | C41 | sing | 1.34Å | 1.37Å | |
| C56 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| N57 | C58 | sing | 1.35Å | 1.37Å | |
| C24 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O17 | sing | 1.46Å | 1.43Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C12 | C27 | sing | 1.53Å | 1.50Å | |
| O10 | C11 | sing | 1.34Å | 1.38Å | |
| O10 | C6 | sing | 1.45Å | 1.45Å | |
| C11 | O26 | doub | 1.20Å | 1.22Å | |
| C41 | O17 | sing | 1.33Å | 1.36Å | |
| C41 | O42 | doub | 1.21Å | 1.22Å | |
| C58 | C59 | sing | 1.51Å | 1.49Å | |
| C58 | O60 | doub | 1.21Å | 1.23Å | |
| C6 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C52 | H1 | sing | 1.08Å | 1.08Å | |
| C56 | H2 | sing | 1.08Å | 1.08Å | |
| C53 | H3 | sing | 1.08Å | 1.08Å | |
| C55 | H4 | sing | 1.08Å | 1.08Å | |
| C49 | H5 | sing | 1.08Å | 1.08Å | |
| C48 | H6 | sing | 1.09Å | 1.10Å | |
| C48 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.11Å | 1.10Å | |
| C7 | H9 | sing | 1.11Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C50 | H12 | sing | 1.08Å | 1.08Å | |
| C47 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.12Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.10Å | |
| C4 | H18 | sing | 1.10Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C59 | H26 | sing | 1.09Å | 1.10Å | |
| C59 | H27 | sing | 1.09Å | 1.10Å | |
| C59 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C22 | H47 | sing | 1.09Å | 1.10Å | |
| C22 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C23 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| N40 | H64 | sing | 0.97Å | 1.00Å | |
| N57 | H65 | sing | 0.97Å | 1.00Å | |
| O37 | H67 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | N34 | C36 | 114.0° | 111.0° |
| C35 | N34 | C32 | 114.2° | 111.0° |
| N34 | C35 | H53 | 109.5° | 109.4° |
| N34 | C35 | H54 | 109.4° | 109.5° |
| N34 | C35 | H55 | 109.5° | 109.5° |
| C36 | N34 | C32 | 115.1° | 111.1° |
| N34 | C36 | H56 | 109.5° | 109.4° |
| N34 | C36 | H57 | 109.5° | 109.4° |
| N34 | C36 | H58 | 109.5° | 109.5° |
| C38 | C30 | C31 | 111.1° | 109.5° |
| C38 | C30 | O29 | 100.5° | 109.4° |
| C38 | C30 | H23 | 111.5° | 109.5° |
| C30 | C38 | H41 | 109.5° | 109.5° |
| C30 | C38 | H42 | 109.5° | 109.5° |
| C30 | C38 | H43 | 109.5° | 109.4° |
| C30 | C31 | C32 | 106.0° | 109.2° |
| C31 | C30 | O29 | 109.4° | 109.4° |
| C30 | C31 | H10 | 110.4° | 109.5° |
| C30 | C31 | H11 | 110.3° | 109.5° |
| C31 | C30 | H23 | 111.2° | 109.5° |
| C31 | C32 | N34 | 110.5° | 109.5° |
| C31 | C32 | C33 | 111.5° | 109.0° |
| C32 | C31 | H10 | 110.3° | 109.6° |
| C32 | C31 | H11 | 110.3° | 109.5° |
| C31 | C32 | H19 | 108.9° | 109.5° |
| N34 | C32 | C33 | 108.1° | 109.6° |
| N34 | C32 | H19 | 109.2° | 109.6° |
| C30 | O29 | C28 | 111.8° | 114.1° |
| O29 | C30 | H23 | 112.8° | 109.5° |
| C32 | C33 | C28 | 111.3° | 109.2° |
| C32 | C33 | O37 | 108.2° | 109.5° |
| C33 | C32 | H19 | 108.7° | 109.6° |
| C32 | C33 | H22 | 109.5° | 109.5° |
| O29 | C28 | C33 | 107.2° | 109.4° |
| O29 | C28 | O20 | 109.2° | 109.5° |
| O29 | C28 | H25 | 111.3° | 109.5° |
| C28 | C33 | O37 | 107.2° | 109.5° |
| C33 | C28 | O20 | 108.0° | 109.5° |
| C28 | C33 | H22 | 109.6° | 109.6° |
| C33 | C28 | H25 | 109.8° | 109.5° |
| O37 | C33 | H22 | 111.0° | 109.6° |
| C33 | O37 | H67 | 109.5° | 114.0° |
| C19 | C2 | C7 | 109.5° | 112.7° |
| C19 | C2 | C3 | 107.4° | 112.4° |
| C19 | C2 | H14 | 108.0° | 104.9° |
| C2 | C19 | H29 | 109.5° | 109.4° |
| C2 | C19 | H30 | 109.5° | 109.5° |
| C2 | C19 | H31 | 109.5° | 109.4° |
| C28 | O20 | C8 | 107.8° | 114.0° |
| O20 | C28 | H25 | 111.2° | 109.4° |
| C22 | C9 | C7 | 110.1° | 113.7° |
| C22 | C9 | C8 | 109.9° | 111.4° |
| C22 | C9 | O18 | 108.9° | 107.6° |
| C9 | C22 | H47 | 109.5° | 109.5° |
| C9 | C22 | H48 | 109.5° | 109.5° |
| C9 | C22 | H49 | 109.5° | 109.4° |
| C7 | C2 | C3 | 115.9° | 114.2° |
| C2 | C7 | C9 | 119.9° | 118.8° |
| C2 | C7 | H8 | 106.8° | 108.9° |
| C2 | C7 | H9 | 106.8° | 107.4° |
| C7 | C2 | H14 | 107.8° | 105.8° |
| C2 | C3 | O15 | 120.9° | 120.6° |
| C2 | C3 | C1 | 120.9° | 121.7° |
| C3 | C2 | H14 | 108.0° | 105.9° |
| C7 | C9 | C8 | 108.0° | 109.4° |
| C7 | C9 | O18 | 109.3° | 106.5° |
| C9 | C7 | H8 | 106.8° | 108.5° |
| C9 | C7 | H9 | 106.8° | 107.8° |
| O20 | C8 | C9 | 109.1° | 108.7° |
| O20 | C8 | C14 | 109.2° | 108.1° |
| O20 | C8 | H21 | 110.1° | 107.4° |
| C8 | C9 | O18 | 110.8° | 107.9° |
| C9 | C8 | C14 | 111.3° | 113.4° |
| C9 | C8 | H21 | 108.7° | 109.8° |
| C9 | O18 | C39 | 114.7° | 114.0° |
| O15 | C3 | C1 | 118.2° | 117.6° |
| C3 | C1 | C16 | 104.4° | 108.2° |
| C3 | C1 | C4 | 105.5° | 109.2° |
| C3 | C1 | H15 | 111.9° | 110.9° |
| C8 | C14 | C21 | 116.4° | 109.4° |
| C8 | C14 | C13 | 115.1° | 108.7° |
| C8 | C14 | H17 | 103.7° | 112.9° |
| C14 | C8 | H21 | 108.6° | 109.2° |
| C47 | C48 | C49 | 107.5° | 104.0° |
| C48 | C47 | C51 | 108.0° | 110.5° |
| C48 | C47 | N45 | 105.6° | 103.9° |
| C47 | C48 | H6 | 109.9° | 110.5° |
| C47 | C48 | H7 | 110.0° | 110.6° |
| C48 | C47 | H13 | 109.2° | 110.5° |
| C48 | C49 | C50 | 106.3° | 109.1° |
| C48 | C49 | H5 | 126.8° | 125.4° |
| C49 | C48 | H6 | 109.9° | 110.5° |
| C49 | C48 | H7 | 110.0° | 110.5° |
| C53 | C52 | C51 | 119.3° | 120.1° |
| C52 | C53 | C54 | 120.2° | 119.9° |
| C53 | C52 | H1 | 120.3° | 119.9° |
| C52 | C53 | H3 | 119.9° | 120.1° |
| C52 | C51 | C47 | 116.4° | 120.0° |
| C52 | C51 | C56 | 120.4° | 120.1° |
| C51 | C52 | H1 | 120.4° | 120.0° |
| O18 | C39 | H59 | 109.5° | 109.5° |
| O18 | C39 | H60 | 109.5° | 109.5° |
| O18 | C39 | H61 | 109.5° | 109.5° |
| C51 | C47 | N45 | 114.0° | 110.4° |
| C47 | C51 | C56 | 123.2° | 119.9° |
| C51 | C47 | H13 | 109.5° | 110.5° |
| C47 | N45 | C44 | 119.8° | 125.4° |
| C47 | N45 | C50 | 113.2° | 109.2° |
| N45 | C47 | H13 | 110.4° | 110.9° |
| C16 | C1 | C4 | 111.7° | 108.8° |
| C16 | C1 | H15 | 111.6° | 108.0° |
| C1 | C16 | H32 | 109.5° | 109.5° |
| C1 | C16 | H33 | 109.5° | 109.5° |
| C1 | C16 | H34 | 109.5° | 109.5° |
| C1 | C4 | N40 | 113.7° | 110.9° |
| C1 | C4 | C5 | 115.8° | 115.1° |
| C4 | C1 | H15 | 111.3° | 111.7° |
| C1 | C4 | H18 | 107.7° | 108.3° |
| C49 | C50 | N45 | 106.6° | 113.9° |
| C50 | C49 | H5 | 126.9° | 125.5° |
| C49 | C50 | H12 | 126.7° | 123.0° |
| O46 | C44 | N45 | 124.7° | 120.0° |
| O46 | C44 | O43 | 126.2° | 120.0° |
| C53 | C54 | N57 | 115.3° | 120.1° |
| C53 | C54 | C55 | 121.0° | 119.9° |
| C54 | C53 | H3 | 119.9° | 120.0° |
| C21 | C14 | C13 | 112.0° | 108.3° |
| C21 | C14 | H17 | 103.8° | 108.6° |
| C14 | C21 | H38 | 109.5° | 109.5° |
| C14 | C21 | H39 | 109.5° | 109.5° |
| C14 | C21 | H40 | 109.5° | 109.4° |
| C14 | C13 | O43 | 108.8° | 109.0° |
| C14 | C13 | C12 | 108.9° | 109.7° |
| C13 | C14 | H17 | 103.8° | 108.9° |
| C14 | C13 | H20 | 111.1° | 109.4° |
| C51 | C56 | C55 | 120.5° | 120.1° |
| C51 | C56 | H2 | 119.8° | 120.0° |
| C44 | N45 | C50 | 122.4° | 125.4° |
| N45 | C44 | O43 | 109.1° | 120.0° |
| N45 | C50 | H12 | 126.7° | 123.1° |
| C44 | O43 | C13 | 116.8° | 117.0° |
| O43 | C13 | C12 | 103.7° | 109.6° |
| O43 | C13 | H20 | 112.7° | 109.7° |
| N40 | C4 | C5 | 102.7° | 103.8° |
| C4 | N40 | C41 | 108.9° | 109.1° |
| N40 | C4 | H18 | 108.9° | 108.6° |
| C4 | N40 | H64 | 125.5° | 126.3° |
| C4 | C5 | C24 | 112.6° | 113.8° |
| C4 | C5 | O17 | 103.3° | 104.0° |
| C4 | C5 | C6 | 111.9° | 110.4° |
| C5 | C4 | H18 | 107.8° | 109.9° |
| C13 | C12 | C11 | 108.1° | 109.5° |
| C13 | C12 | C27 | 106.3° | 109.3° |
| C13 | C12 | H16 | 112.2° | 110.2° |
| C12 | C13 | H20 | 111.3° | 109.5° |
| N57 | C54 | C55 | 123.6° | 120.1° |
| C54 | N57 | C58 | 124.4° | 120.0° |
| C54 | N57 | H65 | 117.8° | 120.0° |
| C54 | C55 | C56 | 118.5° | 119.9° |
| C54 | C55 | H4 | 120.7° | 120.1° |
| N40 | C41 | O17 | 108.6° | 113.6° |
| N40 | C41 | O42 | 128.3° | 123.4° |
| C41 | N40 | H64 | 125.6° | 124.7° |
| C55 | C56 | H2 | 119.7° | 119.9° |
| C56 | C55 | H4 | 120.7° | 120.0° |
| N57 | C58 | C59 | 106.7° | 120.0° |
| N57 | C58 | O60 | 128.3° | 120.1° |
| C58 | N57 | H65 | 117.8° | 120.0° |
| C24 | C5 | O17 | 109.0° | 109.5° |
| C24 | C5 | C6 | 112.3° | 109.6° |
| C5 | C24 | H44 | 109.5° | 109.5° |
| C5 | C24 | H45 | 109.4° | 109.4° |
| C5 | C24 | H46 | 109.5° | 109.5° |
| O17 | C5 | C6 | 107.2° | 109.3° |
| C5 | O17 | C41 | 105.7° | 109.5° |
| C5 | C6 | O10 | 109.8° | 109.4° |
| C5 | C6 | C23 | 108.4° | 108.9° |
| C5 | C6 | H24 | 108.6° | 109.7° |
| C11 | C12 | C27 | 105.2° | 108.9° |
| C12 | C11 | O10 | 110.2° | 119.4° |
| C12 | C11 | O26 | 121.7° | 120.7° |
| C11 | C12 | H16 | 112.5° | 109.3° |
| C27 | C12 | H16 | 112.2° | 109.5° |
| C12 | C27 | H35 | 109.5° | 109.5° |
| C12 | C27 | H36 | 109.5° | 109.5° |
| C12 | C27 | H37 | 109.4° | 109.4° |
| C11 | O10 | C6 | 115.9° | 117.4° |
| O10 | C11 | O26 | 128.0° | 120.0° |
| O10 | C6 | C23 | 111.6° | 109.2° |
| O10 | C6 | H24 | 109.7° | 110.0° |
| O17 | C41 | O42 | 122.9° | 123.0° |
| C59 | C58 | O60 | 124.9° | 119.9° |
| C58 | C59 | H26 | 109.5° | 109.5° |
| C58 | C59 | H27 | 109.5° | 109.4° |
| C58 | C59 | H28 | 109.5° | 109.5° |
| C6 | C23 | C25 | 113.3° | 109.5° |
| C23 | C6 | H24 | 108.7° | 109.7° |
| C6 | C23 | H62 | 108.5° | 109.5° |
| C6 | C23 | H63 | 108.5° | 109.5° |
| C23 | C25 | H50 | 109.5° | 109.4° |
| C23 | C25 | H51 | 109.5° | 109.5° |
| C23 | C25 | H52 | 109.5° | 109.4° |
| C25 | C23 | H62 | 108.5° | 109.4° |
| C25 | C23 | H63 | 108.5° | 109.4° |
| H6 | C48 | H7 | 109.5° | 110.6° |
| H8 | C7 | H9 | 109.5° | 104.6° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H26 | C59 | H27 | 109.5° | 109.5° |
| H26 | C59 | H28 | 109.5° | 109.5° |
| H27 | C59 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.4° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H32 | C16 | H33 | 109.5° | 109.4° |
| H32 | C16 | H34 | 109.4° | 109.5° |
| H33 | C16 | H34 | 109.5° | 109.4° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| H35 | C27 | H37 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.4° | 109.5° |
| H38 | C21 | H39 | 109.4° | 109.5° |
| H38 | C21 | H40 | 109.5° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.4° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| H44 | C24 | H46 | 109.5° | 109.4° |
| H45 | C24 | H46 | 109.4° | 109.5° |
| H47 | C22 | H48 | 109.4° | 109.4° |
| H47 | C22 | H49 | 109.5° | 109.5° |
| H48 | C22 | H49 | 109.5° | 109.5° |
| H50 | C25 | H51 | 109.5° | 109.5° |
| H50 | C25 | H52 | 109.5° | 109.5° |
| H51 | C25 | H52 | 109.4° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H53 | C35 | H55 | 109.5° | 109.5° |
| H54 | C35 | H55 | 109.5° | 109.5° |
| H56 | C36 | H57 | 109.5° | 109.5° |
| H56 | C36 | H58 | 109.5° | 109.5° |
| H57 | C36 | H58 | 109.4° | 109.5° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| H59 | C39 | H61 | 109.5° | 109.4° |
| H60 | C39 | H61 | 109.4° | 109.4° |
| H62 | C23 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | N34 | C36 | C32 | 134.7° | 124.0° |
| C35 | N34 | C32 | C31 | 61.7° | 53.2° |
| C35 | N34 | C32 | C33 | 60.5° | 66.3° |
| C35 | N34 | C32 | H19 | 178.6° | 173.4° |
| N34 | C35 | H53 | H54 | 120.0° | 120.0° |
| N34 | C35 | H53 | H55 | 120.0° | 120.0° |
| N34 | C35 | H54 | H55 | 120.0° | 120.0° |
| C35 | N34 | C36 | H56 | 180.0° | 64.0° |
| C35 | N34 | C36 | H57 | 60.0° | 176.0° |
| C35 | N34 | C36 | H58 | 60.0° | 56.0° |
| C36 | N34 | C32 | C31 | 72.9° | 70.8° |
| C36 | N34 | C32 | C33 | 164.8° | 169.7° |
| C36 | N34 | C32 | H19 | 46.8° | 49.4° |
| C36 | N34 | C35 | H53 | 180.0° | 56.0° |
| C36 | N34 | C35 | H54 | 60.0° | 176.0° |
| C36 | N34 | C35 | H55 | 60.0° | 64.0° |
| N34 | C36 | H56 | H57 | 120.0° | 119.9° |
| N34 | C36 | H56 | H58 | 120.0° | 120.0° |
| N34 | C36 | H57 | H58 | 120.0° | 120.0° |
| C38 | C30 | C31 | O29 | 110.0° | 119.9° |
| C38 | C30 | C31 | H23 | 124.8° | 120.1° |
| C38 | C30 | C31 | C32 | 172.1° | 177.5° |
| C38 | C30 | O29 | H23 | 118.8° | 120.0° |
| C38 | C30 | O29 | C28 | 172.6° | 178.9° |
| C38 | C30 | C31 | H10 | 52.7° | 62.5° |
| C38 | C30 | C31 | H11 | 68.4° | 57.6° |
| C30 | C38 | H41 | H42 | 120.0° | 120.0° |
| C30 | C38 | H41 | H43 | 120.0° | 120.0° |
| C30 | C38 | H42 | H43 | 120.0° | 120.0° |
| C30 | C31 | C32 | H10 | 119.5° | 119.9° |
| C30 | C31 | C32 | H11 | 119.4° | 119.9° |
| C30 | C31 | C32 | N34 | 174.3° | 176.9° |
| C31 | C30 | O29 | H23 | 124.3° | 120.0° |
| C30 | C31 | C32 | C33 | 54.0° | 57.0° |
| C31 | C30 | O29 | C28 | 70.5° | 61.2° |
| C30 | C31 | H10 | H11 | 121.6° | 120.1° |
| C30 | C31 | C32 | H19 | 65.8° | 62.9° |
| C31 | C30 | C38 | H41 | 180.0° | 60.0° |
| C31 | C30 | C38 | H42 | 60.0° | 180.0° |
| C31 | C30 | C38 | H43 | 60.0° | 60.0° |
| C31 | C32 | N34 | C33 | 122.3° | 119.6° |
| C31 | C32 | N34 | H19 | 119.7° | 120.1° |
| C32 | C31 | C30 | O29 | 62.1° | 57.6° |
| C31 | C32 | C33 | H19 | 120.0° | 119.8° |
| C31 | C32 | C33 | C28 | 52.3° | 57.0° |
| C31 | C32 | C33 | O37 | 169.8° | 176.8° |
| C32 | C31 | H10 | H11 | 121.6° | 120.2° |
| C31 | C32 | C33 | H22 | 69.1° | 63.0° |
| C32 | C31 | C30 | H23 | 63.1° | 62.4° |
| N34 | C32 | C33 | H19 | 118.3° | 120.3° |
| N34 | C32 | C33 | C28 | 173.9° | 176.9° |
| N34 | C32 | C33 | O37 | 68.6° | 63.2° |
| N34 | C32 | C31 | H10 | 54.8° | 63.2° |
| N34 | C32 | C31 | H11 | 66.3° | 57.0° |
| N34 | C32 | C33 | H22 | 52.5° | 56.9° |
| C32 | N34 | C35 | H53 | 44.8° | 180.0° |
| C32 | N34 | C35 | H54 | 75.2° | 60.0° |
| C32 | N34 | C35 | H55 | 164.9° | 60.0° |
| C32 | N34 | C36 | H56 | 45.3° | 59.9° |
| C32 | N34 | C36 | H57 | 165.3° | 60.0° |
| C32 | N34 | C36 | H58 | 74.7° | 179.9° |
| C30 | O29 | C28 | C33 | 63.9° | 61.2° |
| C30 | O29 | C28 | O20 | 179.3° | 178.8° |
| O29 | C30 | C31 | H10 | 57.3° | 177.6° |
| O29 | C30 | C31 | H11 | 178.4° | 62.3° |
| C30 | O29 | C28 | H25 | 56.2° | 58.9° |
| O29 | C30 | C38 | H41 | 64.4° | 60.0° |
| O29 | C30 | C38 | H42 | 175.6° | 60.1° |
| O29 | C30 | C38 | H43 | 55.6° | 179.9° |
| C32 | C33 | C28 | O29 | 53.9° | 57.6° |
| C32 | C33 | C28 | O37 | 118.1° | 119.8° |
| C32 | C33 | C28 | H22 | 121.3° | 119.9° |
| C32 | C33 | O37 | H22 | 120.2° | 120.1° |
| C32 | C33 | C28 | O20 | 171.5° | 177.6° |
| C33 | C32 | C31 | H10 | 65.4° | 176.9° |
| C33 | C32 | C31 | H11 | 173.5° | 63.0° |
| C32 | C33 | C28 | H25 | 67.1° | 62.4° |
| C32 | C33 | O37 | H67 | 180.0° | 179.9° |
| O29 | C28 | C33 | O20 | 117.5° | 120.0° |
| O29 | C28 | C33 | H25 | 121.0° | 120.0° |
| O29 | C28 | C33 | O37 | 172.0° | 177.5° |
| O29 | C28 | O20 | H25 | 123.2° | 120.0° |
| O29 | C28 | O20 | C8 | 78.3° | 65.0° |
| O29 | C28 | C33 | H22 | 67.4° | 62.3° |
| C28 | O29 | C30 | H23 | 53.8° | 58.9° |
| C28 | C33 | O37 | H22 | 119.7° | 120.2° |
| C33 | C28 | O20 | H25 | 120.6° | 120.1° |
| C33 | C28 | O20 | C8 | 165.5° | 175.0° |
| C28 | C33 | C32 | H19 | 67.7° | 62.8° |
| C28 | C33 | O37 | H67 | 59.9° | 60.4° |
| O37 | C33 | C28 | O20 | 70.5° | 62.5° |
| O37 | C33 | C32 | H19 | 49.7° | 57.0° |
| O37 | C33 | C28 | H25 | 51.0° | 57.5° |
| C19 | C2 | C7 | C3 | 121.6° | 129.8° |
| C19 | C2 | C7 | H14 | 117.2° | 114.1° |
| C19 | C2 | C3 | H14 | 116.2° | 114.0° |
| C19 | C2 | C7 | C9 | 172.4° | 77.3° |
| C19 | C2 | C3 | O15 | 136.5° | 132.1° |
| C19 | C2 | C3 | C1 | 43.3° | 49.9° |
| C19 | C2 | C7 | H8 | 50.9° | 47.5° |
| C19 | C2 | C7 | H9 | 66.2° | 160.2° |
| C2 | C19 | H29 | H30 | 120.0° | 120.0° |
| C2 | C19 | H29 | H31 | 120.0° | 119.9° |
| C2 | C19 | H30 | H31 | 120.0° | 120.0° |
| C28 | O20 | C8 | C9 | 126.4° | 146.6° |
| C28 | O20 | C8 | C14 | 111.9° | 90.0° |
| C28 | O20 | C8 | H21 | 7.2° | 27.8° |
| O20 | C28 | C33 | H22 | 50.1° | 57.7° |
| C22 | C9 | C7 | C2 | 72.3° | 21.3° |
| C22 | C9 | C7 | C8 | 120.0° | 125.3° |
| C22 | C9 | C7 | O18 | 119.5° | 118.3° |
| C22 | C9 | C8 | O20 | 87.2° | 167.5° |
| C22 | C9 | C8 | O18 | 120.3° | 117.9° |
| C22 | C9 | C8 | C14 | 152.3° | 47.3° |
| C22 | C9 | O18 | C39 | 49.6° | 56.8° |
| C22 | C9 | C7 | H8 | 166.2° | 103.7° |
| C22 | C9 | C7 | H9 | 49.1° | 143.6° |
| C22 | C9 | C8 | H21 | 32.8° | 75.2° |
| C9 | C22 | H47 | H48 | 120.0° | 120.0° |
| C9 | C22 | H47 | H49 | 120.0° | 120.0° |
| C9 | C22 | H48 | H49 | 120.0° | 120.0° |
| C7 | C2 | C3 | H14 | 121.1° | 116.0° |
| C2 | C7 | C9 | H8 | 121.5° | 125.0° |
| C2 | C7 | C9 | H9 | 121.5° | 122.3° |
| C2 | C7 | C9 | C8 | 167.7° | 103.9° |
| C2 | C7 | C9 | O18 | 47.1° | 139.6° |
| C7 | C2 | C3 | O15 | 100.8° | 2.2° |
| C7 | C2 | C3 | C1 | 79.3° | 179.9° |
| C2 | C7 | H8 | H9 | 115.3° | 114.5° |
| C7 | C2 | C19 | H29 | 180.0° | 67.0° |
| C7 | C2 | C19 | H30 | 60.0° | 172.9° |
| C7 | C2 | C19 | H31 | 60.0° | 52.9° |
| C3 | C2 | C7 | C9 | 50.8° | 52.6° |
| C2 | C3 | O15 | C1 | 179.8° | 178.0° |
| C2 | C3 | C1 | C16 | 105.2° | 50.4° |
| C2 | C3 | C1 | C4 | 136.8° | 168.7° |
| C3 | C2 | C7 | H8 | 70.7° | 177.4° |
| C3 | C2 | C7 | H9 | 172.3° | 69.9° |
| C2 | C3 | C1 | H15 | 15.6° | 67.8° |
| C3 | C2 | C19 | H29 | 53.4° | 63.7° |
| C3 | C2 | C19 | H30 | 173.4° | 56.3° |
| C3 | C2 | C19 | H31 | 66.5° | 176.3° |
| C7 | C9 | C8 | O20 | 32.8° | 65.9° |
| C7 | C9 | C8 | O18 | 119.6° | 115.5° |
| C7 | C9 | C8 | C14 | 87.6° | 173.8° |
| C7 | C9 | O18 | C39 | 169.8° | 65.4° |
| C9 | C7 | H8 | H9 | 115.3° | 114.8° |
| C9 | C7 | C2 | H14 | 70.4° | 168.6° |
| C7 | C9 | C8 | H21 | 152.9° | 51.3° |
| C7 | C9 | C22 | H47 | 180.0° | 58.2° |
| C7 | C9 | C22 | H48 | 60.0° | 178.1° |
| C7 | C9 | C22 | H49 | 60.0° | 61.9° |
| O20 | C8 | C9 | C14 | 120.5° | 120.2° |
| O20 | C8 | C9 | H21 | 120.0° | 117.3° |
| O20 | C8 | C9 | O18 | 152.4° | 49.6° |
| O20 | C8 | C14 | H21 | 120.0° | 116.6° |
| O20 | C8 | C14 | C21 | 7.3° | 32.4° |
| O20 | C8 | C14 | C13 | 126.8° | 85.7° |
| O20 | C8 | C14 | H17 | 120.6° | 153.4° |
| C8 | O20 | C28 | H25 | 44.9° | 55.0° |
| C9 | C8 | C14 | H21 | 119.6° | 122.8° |
| C8 | C9 | O18 | C39 | 71.4° | 177.2° |
| C9 | C8 | C14 | C21 | 113.1° | 88.2° |
| C9 | C8 | C14 | C13 | 112.8° | 153.7° |
| C8 | C9 | C7 | H8 | 46.2° | 131.1° |
| C8 | C9 | C7 | H9 | 70.9° | 18.3° |
| C9 | C8 | C14 | H17 | 0.2° | 32.8° |
| C8 | C9 | C22 | H47 | 61.2° | 177.6° |
| C8 | C9 | C22 | H48 | 58.8° | 57.7° |
| C8 | C9 | C22 | H49 | 178.8° | 62.4° |
| O18 | C9 | C8 | C14 | 32.0° | 70.6° |
| O18 | C9 | C7 | H8 | 74.3° | 14.6° |
| O18 | C9 | C7 | H9 | 168.6° | 98.1° |
| O18 | C9 | C8 | H21 | 87.6° | 166.9° |
| O18 | C9 | C22 | H47 | 60.3° | 59.5° |
| O18 | C9 | C22 | H48 | 179.7° | 60.4° |
| O18 | C9 | C22 | H49 | 59.7° | 179.5° |
| C9 | O18 | C39 | H59 | 180.0° | 174.4° |
| C9 | O18 | C39 | H60 | 60.0° | 54.3° |
| C9 | O18 | C39 | H61 | 60.0° | 65.6° |
| O15 | C3 | C1 | C16 | 74.6° | 127.6° |
| O15 | C3 | C1 | C4 | 43.3° | 9.3° |
| O15 | C3 | C2 | H14 | 20.3° | 113.8° |
| O15 | C3 | C1 | H15 | 164.5° | 114.2° |
| C3 | C1 | C16 | C4 | 113.6° | 118.6° |
| C3 | C1 | C16 | H15 | 121.0° | 120.1° |
| C3 | C1 | C4 | H15 | 121.6° | 123.0° |
| C3 | C1 | C4 | N40 | 86.4° | 161.8° |
| C3 | C1 | C4 | C5 | 155.0° | 80.7° |
| C1 | C3 | C2 | H14 | 159.6° | 64.1° |
| C3 | C1 | C4 | H18 | 34.3° | 42.7° |
| C3 | C1 | C16 | H32 | 180.0° | 60.0° |
| C3 | C1 | C16 | H33 | 60.0° | 180.0° |
| C3 | C1 | C16 | H34 | 60.0° | 60.0° |
| C8 | C14 | C21 | C13 | 135.4° | 118.3° |
| C8 | C14 | C21 | H17 | 113.2° | 123.6° |
| C8 | C14 | C13 | H17 | 112.5° | 123.3° |
| C8 | C14 | C13 | O43 | 85.7° | 131.2° |
| C8 | C14 | C13 | C12 | 161.9° | 108.9° |
| C8 | C14 | C13 | H20 | 38.9° | 11.2° |
| C8 | C14 | C21 | H38 | 180.0° | 178.3° |
| C8 | C14 | C21 | H39 | 60.0° | 61.7° |
| C8 | C14 | C21 | H40 | 60.0° | 58.3° |
| C47 | C48 | C49 | H6 | 119.7° | 118.6° |
| C47 | C48 | C49 | H7 | 119.7° | 118.7° |
| C48 | C47 | C51 | C52 | 71.0° | 100.0° |
| C48 | C47 | C51 | N45 | 117.0° | 114.4° |
| C48 | C47 | C51 | H13 | 118.9° | 122.6° |
| C48 | C47 | N45 | H13 | 117.9° | 118.7° |
| C47 | C48 | C49 | C50 | 6.1° | 0.0° |
| C48 | C47 | C51 | C56 | 107.8° | 80.1° |
| C48 | C47 | N45 | C44 | 164.6° | 180.0° |
| C48 | C47 | N45 | C50 | 8.1° | 0.3° |
| C47 | C48 | C49 | H5 | 173.9° | 179.7° |
| C47 | C48 | H6 | H7 | 120.9° | 122.8° |
| C49 | C48 | C47 | C51 | 130.8° | 118.6° |
| C49 | C48 | C47 | N45 | 8.5° | 0.2° |
| C48 | C49 | C50 | H5 | 180.0° | 179.7° |
| C48 | C49 | C50 | N45 | 1.3° | 0.3° |
| C49 | C48 | H6 | H7 | 120.9° | 122.7° |
| C48 | C49 | C50 | H12 | 178.7° | 179.7° |
| C49 | C48 | C47 | H13 | 110.1° | 118.8° |
| C53 | C52 | C51 | H1 | 180.0° | 179.7° |
| C53 | C52 | C51 | C47 | 179.5° | 179.9° |
| C52 | C53 | C54 | H3 | 180.0° | 180.0° |
| C53 | C52 | C51 | C56 | 0.6° | 0.0° |
| C52 | C53 | C54 | N57 | 179.7° | 179.9° |
| C52 | C53 | C54 | C55 | 0.8° | 0.0° |
| C52 | C51 | C47 | C56 | 178.8° | 179.9° |
| C52 | C51 | C47 | N45 | 172.0° | 145.6° |
| C51 | C52 | C53 | C54 | 0.9° | 0.0° |
| C52 | C51 | C56 | C55 | 0.2° | 0.0° |
| C52 | C51 | C56 | H2 | 179.8° | 180.0° |
| C51 | C52 | C53 | H3 | 179.1° | 180.0° |
| C52 | C51 | C47 | H13 | 47.8° | 22.6° |
| O18 | C39 | H59 | H60 | 120.0° | 120.1° |
| O18 | C39 | H59 | H61 | 120.0° | 120.0° |
| O18 | C39 | H60 | H61 | 120.0° | 120.0° |
| C51 | C47 | N45 | H13 | 123.7° | 122.8° |
| C51 | C47 | N45 | C44 | 77.0° | 61.5° |
| C51 | C47 | N45 | C50 | 126.5° | 118.8° |
| C47 | C51 | C56 | C55 | 179.0° | 179.9° |
| C47 | C51 | C52 | H1 | 0.5° | 0.3° |
| C47 | C51 | C56 | H2 | 1.0° | 0.1° |
| C51 | C47 | C48 | H6 | 109.5° | 0.0° |
| C51 | C47 | C48 | H7 | 11.1° | 122.8° |
| C47 | N45 | C50 | C49 | 4.4° | 0.4° |
| C47 | N45 | C44 | O46 | 5.9° | 0.1° |
| N45 | C47 | C51 | C56 | 9.2° | 34.3° |
| C47 | N45 | C44 | C50 | 154.3° | 179.6° |
| C47 | N45 | C44 | O43 | 176.1° | 180.0° |
| N45 | C47 | C48 | H6 | 128.2° | 118.4° |
| N45 | C47 | C48 | H7 | 111.2° | 118.8° |
| C47 | N45 | C50 | H12 | 175.6° | 179.6° |
| C16 | C1 | C4 | H15 | 125.5° | 119.1° |
| C16 | C1 | C4 | N40 | 26.5° | 43.9° |
| C16 | C1 | C4 | C5 | 92.1° | 161.3° |
| C16 | C1 | C4 | H18 | 147.2° | 75.2° |
| C1 | C16 | H32 | H33 | 120.0° | 120.0° |
| C1 | C16 | H32 | H34 | 120.0° | 120.1° |
| C1 | C16 | H33 | H34 | 120.0° | 120.1° |
| C1 | C4 | N40 | C5 | 125.9° | 124.1° |
| C1 | C4 | N40 | H18 | 120.0° | 119.0° |
| C1 | C4 | C5 | H18 | 120.6° | 122.6° |
| C1 | C4 | N40 | C41 | 125.1° | 121.2° |
| C1 | C4 | C5 | C24 | 12.3° | 0.4° |
| C1 | C4 | C5 | O17 | 105.1° | 118.7° |
| C1 | C4 | C5 | C6 | 140.0° | 124.2° |
| C4 | C1 | C16 | H32 | 66.4° | 178.6° |
| C4 | C1 | C16 | H33 | 53.6° | 61.4° |
| C4 | C1 | C16 | H34 | 173.6° | 58.6° |
| C1 | C4 | N40 | H64 | 54.9° | 60.5° |
| C49 | C50 | N45 | C44 | 160.2° | 180.0° |
| C49 | C50 | N45 | H12 | 180.0° | 180.0° |
| C50 | C49 | C48 | H6 | 125.7° | 118.6° |
| C50 | C49 | C48 | H7 | 113.6° | 118.6° |
| O46 | C44 | N45 | O43 | 178.0° | 179.9° |
| O46 | C44 | N45 | C50 | 160.2° | 179.5° |
| O46 | C44 | O43 | C13 | 8.7° | 0.0° |
| C53 | C54 | N57 | C55 | 178.9° | 179.9° |
| C53 | C54 | C55 | C56 | 0.4° | 0.0° |
| C53 | C54 | N57 | C58 | 157.3° | 35.0° |
| C54 | C53 | C52 | H1 | 179.1° | 179.7° |
| C53 | C54 | C55 | H4 | 179.6° | 180.0° |
| C53 | C54 | N57 | H65 | 22.7° | 145.0° |
| C21 | C14 | C13 | H17 | 111.4° | 117.9° |
| C21 | C14 | C13 | O43 | 50.3° | 12.4° |
| C21 | C14 | C13 | C12 | 62.0° | 132.4° |
| C21 | C14 | C13 | H20 | 174.9° | 107.6° |
| C21 | C14 | C8 | H21 | 127.3° | 149.0° |
| C14 | C21 | H38 | H39 | 120.0° | 120.0° |
| C14 | C21 | H38 | H40 | 120.0° | 120.0° |
| C14 | C21 | H39 | H40 | 120.0° | 119.9° |
| C14 | C13 | O43 | C44 | 100.3° | 150.0° |
| C14 | C13 | O43 | C12 | 115.8° | 120.0° |
| C14 | C13 | O43 | H20 | 123.7° | 119.7° |
| C14 | C13 | C12 | H20 | 122.9° | 120.0° |
| C14 | C13 | C12 | C11 | 69.7° | 103.3° |
| C14 | C13 | C12 | C27 | 177.7° | 137.4° |
| C14 | C13 | C12 | H16 | 54.8° | 17.0° |
| C13 | C14 | C8 | H21 | 6.8° | 30.9° |
| C13 | C14 | C21 | H38 | 44.6° | 59.9° |
| C13 | C14 | C21 | H39 | 164.6° | 180.0° |
| C13 | C14 | C21 | H40 | 75.4° | 60.1° |
| C51 | C56 | C55 | C54 | 0.1° | 0.0° |
| C51 | C56 | C55 | H2 | 180.0° | 180.0° |
| C56 | C51 | C52 | H1 | 179.4° | 179.7° |
| C51 | C56 | C55 | H4 | 180.0° | 180.0° |
| C56 | C51 | C47 | H13 | 133.3° | 157.3° |
| N45 | C44 | O43 | C13 | 173.3° | 180.0° |
| C44 | N45 | C50 | H12 | 19.8° | 0.1° |
| C44 | N45 | C47 | H13 | 46.7° | 61.3° |
| C50 | N45 | C44 | O43 | 21.8° | 0.4° |
| N45 | C50 | C49 | H5 | 178.7° | 180.0° |
| C50 | N45 | C47 | H13 | 109.8° | 118.4° |
| C44 | O43 | C13 | C12 | 143.9° | 90.0° |
| C44 | O43 | C13 | H20 | 23.4° | 30.2° |
| O43 | C13 | C12 | H20 | 121.4° | 120.4° |
| O43 | C13 | C12 | C11 | 174.5° | 137.1° |
| O43 | C13 | C12 | C27 | 62.0° | 17.8° |
| O43 | C13 | C12 | H16 | 61.0° | 102.6° |
| O43 | C13 | C14 | H17 | 161.7° | 105.5° |
| N40 | C4 | C5 | H18 | 114.9° | 116.0° |
| C4 | N40 | C41 | H64 | 180.0° | 178.4° |
| N40 | C4 | C5 | C24 | 136.9° | 121.8° |
| N40 | C4 | C5 | O17 | 19.4° | 2.7° |
| N40 | C4 | C5 | C6 | 95.5° | 114.4° |
| C4 | N40 | C41 | O17 | 19.6° | 2.1° |
| C4 | N40 | C41 | O42 | 157.1° | 177.1° |
| N40 | C4 | C1 | H15 | 152.0° | 75.1° |
| C5 | C4 | N40 | C41 | 0.8° | 2.9° |
| C4 | C5 | C24 | O17 | 114.0° | 116.0° |
| C4 | C5 | C24 | C6 | 127.4° | 124.2° |
| C4 | C5 | O17 | C6 | 118.3° | 117.9° |
| C4 | C5 | C6 | O10 | 76.2° | 111.2° |
| C4 | C5 | O17 | C41 | 31.7° | 1.7° |
| C4 | C5 | C6 | C23 | 161.6° | 129.6° |
| C5 | C4 | C1 | H15 | 33.4° | 42.3° |
| C4 | C5 | C6 | H24 | 43.7° | 9.6° |
| C4 | C5 | C24 | H44 | 180.0° | 60.0° |
| C4 | C5 | C24 | H45 | 60.0° | 180.0° |
| C4 | C5 | C24 | H46 | 60.0° | 60.0° |
| C5 | C4 | N40 | H64 | 179.2° | 175.4° |
| C13 | C12 | C11 | C27 | 113.2° | 119.5° |
| C13 | C12 | C11 | H16 | 124.3° | 120.9° |
| C13 | C12 | C27 | H16 | 122.9° | 120.9° |
| C13 | C12 | C11 | O10 | 101.5° | 123.5° |
| C13 | C12 | C11 | O26 | 78.1° | 56.2° |
| C12 | C13 | C14 | H17 | 49.3° | 14.5° |
| C13 | C12 | C27 | H35 | 180.0° | 179.6° |
| C13 | C12 | C27 | H36 | 60.0° | 60.3° |
| C13 | C12 | C27 | H37 | 60.0° | 59.6° |
| N57 | C54 | C55 | C56 | 179.2° | 180.0° |
| C54 | N57 | C58 | H65 | 180.0° | 180.0° |
| C54 | N57 | C58 | C59 | 138.5° | 175.4° |
| C54 | N57 | C58 | O60 | 44.5° | 4.6° |
| N57 | C54 | C53 | H3 | 0.3° | 0.1° |
| N57 | C54 | C55 | H4 | 0.9° | 0.1° |
| C54 | C55 | C56 | H4 | 180.0° | 179.9° |
| C55 | C54 | N57 | C58 | 23.8° | 145.1° |
| C54 | C55 | C56 | H2 | 179.9° | 180.0° |
| C55 | C54 | C53 | H3 | 179.2° | 180.0° |
| C55 | C54 | N57 | H65 | 156.2° | 34.9° |
| N40 | C41 | O17 | C5 | 32.8° | 0.2° |
| N40 | C41 | O17 | O42 | 176.9° | 179.2° |
| C41 | N40 | C4 | H18 | 114.9° | 119.9° |
| N57 | C58 | C59 | O60 | 177.2° | 180.0° |
| N57 | C58 | C59 | H26 | 177.2° | 180.0° |
| N57 | C58 | C59 | H27 | 62.8° | 60.0° |
| N57 | C58 | C59 | H28 | 57.2° | 60.0° |
| C24 | C5 | O17 | C6 | 121.8° | 120.1° |
| C24 | C5 | C6 | O10 | 51.6° | 15.0° |
| C24 | C5 | O17 | C41 | 151.6° | 123.7° |
| C24 | C5 | C6 | C23 | 70.6° | 104.2° |
| C24 | C5 | C4 | H18 | 108.2° | 122.2° |
| C24 | C5 | C6 | H24 | 171.5° | 135.7° |
| C5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C5 | C24 | H44 | H46 | 120.0° | 120.0° |
| C5 | C24 | H45 | H46 | 120.0° | 120.0° |
| O17 | C5 | C6 | O10 | 171.3° | 135.0° |
| C5 | O17 | C41 | O42 | 144.2° | 179.0° |
| O17 | C5 | C6 | C23 | 49.1° | 15.8° |
| O17 | C5 | C4 | H18 | 134.3° | 118.7° |
| O17 | C5 | C6 | H24 | 68.8° | 104.2° |
| O17 | C5 | C24 | H44 | 66.0° | 176.0° |
| O17 | C5 | C24 | H45 | 54.0° | 64.0° |
| O17 | C5 | C24 | H46 | 174.0° | 56.0° |
| C5 | C6 | O10 | C11 | 144.7° | 148.5° |
| C5 | C6 | O10 | C23 | 120.3° | 119.1° |
| C5 | C6 | O10 | H24 | 119.2° | 120.6° |
| C6 | C5 | O17 | C41 | 86.6° | 116.2° |
| C5 | C6 | C23 | H24 | 117.8° | 120.1° |
| C5 | C6 | C23 | C25 | 171.1° | 175.1° |
| C6 | C5 | C4 | H18 | 19.4° | 1.6° |
| C6 | C5 | C24 | H44 | 52.6° | 64.1° |
| C6 | C5 | C24 | H45 | 172.6° | 55.8° |
| C6 | C5 | C24 | H46 | 67.4° | 175.9° |
| C5 | C6 | C23 | H62 | 50.6° | 55.1° |
| C5 | C6 | C23 | H63 | 68.3° | 64.9° |
| C11 | C12 | C27 | H16 | 122.6° | 119.5° |
| C12 | C11 | O10 | O26 | 179.5° | 179.7° |
| C12 | C11 | O10 | C6 | 160.4° | 179.3° |
| C11 | C12 | C13 | H20 | 53.2° | 16.7° |
| C11 | C12 | C27 | H35 | 65.5° | 59.9° |
| C11 | C12 | C27 | H36 | 174.5° | 180.0° |
| C11 | C12 | C27 | H37 | 54.5° | 60.0° |
| C27 | C12 | C11 | O10 | 145.3° | 116.9° |
| C27 | C12 | C11 | O26 | 35.1° | 63.3° |
| C27 | C12 | C13 | H20 | 59.4° | 102.6° |
| C12 | C27 | H35 | H36 | 120.0° | 120.0° |
| C12 | C27 | H35 | H37 | 120.0° | 119.9° |
| C12 | C27 | H36 | H37 | 120.0° | 119.9° |
| C11 | O10 | C6 | C23 | 95.1° | 92.5° |
| O10 | C11 | C12 | H16 | 22.9° | 2.6° |
| C11 | O10 | C6 | H24 | 25.5° | 27.9° |
| C6 | O10 | C11 | O26 | 20.1° | 1.0° |
| O10 | C6 | C23 | H24 | 121.1° | 120.5° |
| O10 | C6 | C23 | C25 | 67.8° | 65.5° |
| O10 | C6 | C23 | H62 | 171.6° | 174.5° |
| O10 | C6 | C23 | H63 | 52.7° | 54.4° |
| O26 | C11 | C12 | H16 | 157.6° | 177.1° |
| O17 | C41 | N40 | H64 | 160.3° | 176.3° |
| O42 | C41 | N40 | H64 | 22.9° | 4.5° |
| C58 | C59 | H26 | H27 | 120.0° | 120.0° |
| C58 | C59 | H26 | H28 | 120.0° | 120.0° |
| C58 | C59 | H27 | H28 | 120.0° | 119.9° |
| C59 | C58 | N57 | H65 | 41.5° | 4.7° |
| O60 | C58 | C59 | H26 | 0.0° | 0.0° |
| O60 | C58 | C59 | H27 | 120.0° | 120.0° |
| O60 | C58 | C59 | H28 | 120.0° | 120.0° |
| O60 | C58 | N57 | H65 | 135.5° | 175.3° |
| C6 | C23 | C25 | H62 | 120.6° | 120.0° |
| C6 | C23 | C25 | H63 | 120.6° | 120.0° |
| C6 | C23 | C25 | H50 | 180.0° | 60.0° |
| C6 | C23 | C25 | H51 | 60.0° | 180.0° |
| C6 | C23 | C25 | H52 | 60.0° | 60.0° |
| C6 | C23 | H62 | H63 | 118.3° | 120.1° |
| C25 | C23 | C6 | H24 | 53.3° | 55.0° |
| C23 | C25 | H50 | H51 | 120.0° | 120.0° |
| C23 | C25 | H50 | H52 | 120.0° | 120.0° |
| C23 | C25 | H51 | H52 | 120.0° | 120.0° |
| C25 | C23 | H62 | H63 | 118.3° | 119.9° |
| H1 | C52 | C53 | H3 | 0.9° | 0.3° |
| H2 | C56 | C55 | H4 | 0.0° | 0.1° |
| H5 | C49 | C48 | H6 | 54.3° | 61.7° |
| H5 | C49 | C48 | H7 | 66.4° | 61.1° |
| H5 | C49 | C50 | H12 | 1.3° | 0.0° |
| H6 | C48 | C47 | H13 | 9.6° | 122.6° |
| H7 | C48 | C47 | H13 | 130.2° | 0.1° |
| H8 | C7 | C2 | H14 | 168.1° | 66.6° |
| H9 | C7 | C2 | H14 | 51.1° | 46.1° |
| H10 | C31 | C32 | H19 | 174.7° | 57.0° |
| H10 | C31 | C30 | H23 | 177.5° | 57.6° |
| H11 | C31 | C32 | H19 | 53.6° | 177.2° |
| H11 | C31 | C30 | H23 | 56.3° | 177.7° |
| H14 | C2 | C19 | H29 | 62.9° | 178.3° |
| H14 | C2 | C19 | H30 | 57.1° | 58.3° |
| H14 | C2 | C19 | H31 | 177.2° | 61.7° |
| H15 | C1 | C4 | H18 | 87.2° | 165.7° |
| H15 | C1 | C16 | H32 | 59.0° | 60.0° |
| H15 | C1 | C16 | H33 | 179.0° | 59.9° |
| H15 | C1 | C16 | H34 | 61.0° | 179.9° |
| H16 | C12 | C13 | H20 | 177.7° | 137.0° |
| H16 | C12 | C27 | H35 | 57.1° | 59.5° |
| H16 | C12 | C27 | H36 | 62.9° | 60.6° |
| H16 | C12 | C27 | H37 | 177.1° | 179.5° |
| H17 | C14 | C13 | H20 | 73.7° | 134.6° |
| H17 | C14 | C8 | H21 | 119.4° | 90.0° |
| H17 | C14 | C21 | H38 | 66.8° | 58.1° |
| H17 | C14 | C21 | H39 | 53.2° | 61.9° |
| H17 | C14 | C21 | H40 | 173.2° | 178.1° |
| H18 | C4 | N40 | H64 | 65.1° | 58.5° |
| H19 | C32 | C33 | H22 | 170.9° | 177.2° |
| H22 | C33 | C28 | H25 | 171.5° | 177.7° |
| H22 | C33 | O37 | H67 | 59.8° | 59.8° |
| H23 | C30 | C38 | H41 | 55.4° | 180.0° |
| H23 | C30 | C38 | H42 | 64.6° | 59.9° |
| H23 | C30 | C38 | H43 | 175.4° | 60.1° |
| H24 | C6 | C23 | H62 | 67.3° | 65.0° |
| H24 | C6 | C23 | H63 | 173.9° | 175.0° |
| H26 | C59 | H27 | H28 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H32 | C16 | H33 | H34 | 120.0° | 119.9° |
| H35 | C27 | H36 | H37 | 120.0° | 120.1° |
| H38 | C21 | H39 | H40 | 120.0° | 120.0° |
| H41 | C38 | H42 | H43 | 120.0° | 120.0° |
| H44 | C24 | H45 | H46 | 120.0° | 120.0° |
| H47 | C22 | H48 | H49 | 120.0° | 120.0° |
| H50 | C25 | H51 | H52 | 120.0° | 120.1° |
| H50 | C25 | C23 | H62 | 59.4° | 60.0° |
| H50 | C25 | C23 | H63 | 59.4° | 180.0° |
| H51 | C25 | C23 | H62 | 179.5° | 60.0° |
| H51 | C25 | C23 | H63 | 60.6° | 60.0° |
| H52 | C25 | C23 | H62 | 60.6° | 180.0° |
| H52 | C25 | C23 | H63 | 179.4° | 60.0° |
| H53 | C35 | H54 | H55 | 120.0° | 120.0° |
| H56 | C36 | H57 | H58 | 120.0° | 120.0° |
| H59 | C39 | H60 | H61 | 120.0° | 119.9° |
