0ZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C51 | sing | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.40Å | Aromatic |
| C51 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
| C55 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C50 | C48 | sing | 1.48Å | 1.49Å | |
| O61 | C60 | doub | 1.21Å | 1.24Å | |
| C49 | C48 | doub | 1.39Å | 1.40Å | Aromatic |
| C49 | C5A | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | C47 | sing | 1.39Å | 1.40Å | Aromatic |
| C60 | O62 | sing | 1.34Å | 1.25Å | |
| C60 | C56 | sing | 1.51Å | 1.51Å | |
| C5A | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C56 | C57 | sing | 1.53Å | 1.55Å | |
| C56 | N40 | sing | 1.47Å | 1.48Å | |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | S41 | sing | 1.76Å | 1.62Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| O43 | S41 | doub | 1.42Å | 1.44Å | |
| N40 | S41 | sing | 1.66Å | 1.52Å | |
| N40 | C39 | sing | 1.46Å | 1.47Å | |
| S41 | O42 | doub | 1.42Å | 1.45Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| O36 | C35 | doub | 1.22Å | 1.23Å | |
| C38 | N37 | sing | 1.46Å | 1.46Å | |
| C35 | N37 | sing | 1.35Å | 1.33Å | |
| C35 | C33 | sing | 1.48Å | 1.51Å | |
| C32 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C27 | sing | 1.48Å | 1.51Å | |
| N26 | C27 | sing | 1.35Å | 1.34Å | |
| N26 | C25 | sing | 1.46Å | 1.46Å | |
| C27 | O28 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| O15 | S13 | doub | 1.42Å | 1.44Å | |
| C24 | N16 | sing | 1.46Å | 1.48Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| N16 | S13 | sing | 1.66Å | 1.52Å | |
| N16 | C17 | sing | 1.46Å | 1.48Å | |
| S13 | O14 | doub | 1.42Å | 1.44Å | |
| S13 | C10 | sing | 1.76Å | 1.63Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| C21 | O23 | sing | 1.34Å | 1.25Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C1 | sing | 1.48Å | 1.49Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| O62 | H1 | sing | 0.97Å | 0.95Å | |
| C56 | H2 | sing | 1.09Å | 1.10Å | |
| C57 | H3 | sing | 1.09Å | 1.10Å | |
| C59 | H4 | sing | 1.09Å | 1.10Å | |
| C59 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.09Å | 1.10Å | |
| C58 | H7 | sing | 1.09Å | 1.10Å | |
| C58 | H8 | sing | 1.09Å | 1.10Å | |
| C58 | H9 | sing | 1.09Å | 1.10Å | |
| C5A | H10 | sing | 1.08Å | 1.08Å | |
| C49 | H11 | sing | 1.08Å | 1.08Å | |
| C55 | H12 | sing | 1.08Å | 1.08Å | |
| C54 | H13 | sing | 1.08Å | 1.08Å | |
| C53 | H14 | sing | 1.08Å | 1.08Å | |
| C52 | H15 | sing | 1.08Å | 1.08Å | |
| C51 | H16 | sing | 1.08Å | 1.08Å | |
| C47 | H17 | sing | 1.08Å | 1.08Å | |
| C46 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| N37 | H23 | sing | 0.97Å | 1.00Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| N26 | H28 | sing | 0.97Å | 1.00Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| O23 | H34 | sing | 0.97Å | 0.95Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.08Å | 1.08Å | |
| C8 | H43 | sing | 1.08Å | 1.08Å | |
| C11 | H44 | sing | 1.08Å | 1.08Å | |
| C12 | H45 | sing | 1.08Å | 1.08Å | |
| C6 | H46 | sing | 1.08Å | 1.08Å | |
| C5 | H47 | sing | 1.08Å | 1.08Å | |
| C4 | H48 | sing | 1.08Å | 1.08Å | |
| C3 | H49 | sing | 1.08Å | 1.08Å | |
| C2 | H50 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C53 | C54 | 119.8° | 120.3° |
| C53 | C52 | C51 | 119.5° | 120.2° |
| C52 | C53 | H14 | 120.1° | 119.9° |
| C53 | C52 | H15 | 120.2° | 120.0° |
| C53 | C54 | C55 | 120.5° | 120.1° |
| C53 | C54 | H13 | 119.7° | 120.0° |
| C54 | C53 | H14 | 120.1° | 119.8° |
| C52 | C51 | C50 | 121.3° | 119.8° |
| C51 | C52 | H15 | 120.3° | 119.9° |
| C52 | C51 | H16 | 119.3° | 120.1° |
| C54 | C55 | C50 | 120.2° | 119.9° |
| C54 | C55 | H12 | 119.9° | 120.1° |
| C55 | C54 | H13 | 119.8° | 119.9° |
| C51 | C50 | C55 | 118.7° | 119.8° |
| C51 | C50 | C48 | 119.2° | 120.1° |
| C50 | C51 | H16 | 119.3° | 120.0° |
| C55 | C50 | C48 | 122.1° | 120.1° |
| C50 | C55 | H12 | 119.9° | 120.1° |
| C50 | C48 | C49 | 121.4° | 120.1° |
| C50 | C48 | C47 | 120.4° | 120.1° |
| O61 | C60 | O62 | 119.8° | 120.0° |
| O61 | C60 | C56 | 119.7° | 120.0° |
| C48 | C49 | C5A | 121.1° | 119.9° |
| C49 | C48 | C47 | 118.2° | 119.8° |
| C48 | C49 | H11 | 119.4° | 120.0° |
| C49 | C5A | C45 | 121.2° | 120.1° |
| C49 | C5A | H10 | 119.4° | 119.9° |
| C5A | C49 | H11 | 119.5° | 120.1° |
| C48 | C47 | C46 | 120.7° | 119.8° |
| C48 | C47 | H17 | 119.7° | 120.1° |
| O62 | C60 | C56 | 120.5° | 120.0° |
| C60 | O62 | H1 | 109.5° | 117.0° |
| C60 | C56 | C57 | 110.1° | 109.4° |
| C60 | C56 | N40 | 111.1° | 109.5° |
| C60 | C56 | H2 | 105.9° | 109.5° |
| C5A | C45 | C46 | 117.8° | 120.2° |
| C5A | C45 | S41 | 121.1° | 119.9° |
| C45 | C5A | H10 | 119.4° | 119.9° |
| C47 | C46 | C45 | 121.0° | 120.1° |
| C46 | C47 | H17 | 119.6° | 120.0° |
| C47 | C46 | H18 | 119.5° | 120.0° |
| C57 | C56 | N40 | 117.3° | 109.4° |
| C56 | C57 | C58 | 116.4° | 109.5° |
| C56 | C57 | C59 | 112.5° | 109.5° |
| C57 | C56 | H2 | 105.5° | 109.5° |
| C56 | C57 | H3 | 105.1° | 109.4° |
| C56 | N40 | S41 | 118.1° | 120.0° |
| C56 | N40 | C39 | 119.6° | 120.0° |
| N40 | C56 | H2 | 106.1° | 109.5° |
| C46 | C45 | S41 | 121.1° | 119.9° |
| C45 | C46 | H18 | 119.5° | 119.9° |
| C45 | S41 | O43 | 109.9° | 106.4° |
| C45 | S41 | N40 | 107.6° | 107.3° |
| C45 | S41 | O42 | 106.5° | 106.4° |
| C58 | C57 | C59 | 111.1° | 109.5° |
| C58 | C57 | H3 | 105.3° | 109.5° |
| C57 | C58 | H7 | 109.5° | 109.5° |
| C57 | C58 | H8 | 109.5° | 109.5° |
| C57 | C58 | H9 | 109.5° | 109.5° |
| C59 | C57 | H3 | 105.3° | 109.5° |
| C57 | C59 | H4 | 109.5° | 109.5° |
| C57 | C59 | H5 | 109.5° | 109.5° |
| C57 | C59 | H6 | 109.5° | 109.5° |
| O43 | S41 | N40 | 109.3° | 106.4° |
| O43 | S41 | O42 | 112.4° | 123.1° |
| S41 | N40 | C39 | 121.2° | 120.0° |
| N40 | S41 | O42 | 111.0° | 106.5° |
| N40 | C39 | C38 | 116.5° | 109.5° |
| N40 | C39 | H19 | 107.7° | 109.5° |
| N40 | C39 | H20 | 107.7° | 109.5° |
| C39 | C38 | N37 | 106.3° | 109.5° |
| C38 | C39 | H19 | 107.7° | 109.5° |
| C38 | C39 | H20 | 107.7° | 109.5° |
| C39 | C38 | H21 | 110.3° | 109.4° |
| C39 | C38 | H22 | 110.3° | 109.5° |
| O36 | C35 | N37 | 121.6° | 120.0° |
| O36 | C35 | C33 | 119.1° | 120.1° |
| C38 | N37 | C35 | 124.7° | 120.0° |
| N37 | C38 | H21 | 110.3° | 109.5° |
| N37 | C38 | H22 | 110.2° | 109.5° |
| C38 | N37 | H23 | 117.7° | 120.0° |
| N37 | C35 | C33 | 119.3° | 120.0° |
| C35 | N37 | H23 | 117.7° | 120.0° |
| C35 | C33 | C32 | 119.7° | 120.1° |
| C35 | C33 | C34 | 120.9° | 120.1° |
| C33 | C32 | C31 | 119.9° | 120.2° |
| C32 | C33 | C34 | 119.3° | 119.8° |
| C33 | C32 | H24 | 120.0° | 119.9° |
| C32 | C31 | C30 | 120.5° | 120.3° |
| C31 | C32 | H24 | 120.0° | 119.9° |
| C32 | C31 | H25 | 119.8° | 119.9° |
| C33 | C34 | C29 | 120.9° | 119.7° |
| C33 | C34 | H27 | 119.5° | 120.1° |
| C31 | C30 | C29 | 120.3° | 120.1° |
| C30 | C31 | H25 | 119.8° | 119.8° |
| C31 | C30 | H26 | 119.8° | 120.0° |
| C34 | C29 | C30 | 119.0° | 119.8° |
| C34 | C29 | C27 | 121.4° | 120.1° |
| C29 | C34 | H27 | 119.5° | 120.1° |
| C30 | C29 | C27 | 119.6° | 120.1° |
| C29 | C30 | H26 | 119.8° | 119.9° |
| C29 | C27 | N26 | 120.4° | 120.0° |
| C29 | C27 | O28 | 118.9° | 120.0° |
| C27 | N26 | C25 | 122.2° | 120.0° |
| N26 | C27 | O28 | 120.8° | 120.0° |
| C27 | N26 | H28 | 118.9° | 120.0° |
| N26 | C25 | C24 | 108.0° | 109.5° |
| C25 | N26 | H28 | 118.9° | 120.0° |
| N26 | C25 | H29 | 109.8° | 109.5° |
| N26 | C25 | H30 | 109.8° | 109.4° |
| C25 | C24 | N16 | 117.1° | 109.4° |
| C24 | C25 | H29 | 109.8° | 109.5° |
| C24 | C25 | H30 | 109.8° | 109.5° |
| C25 | C24 | H31 | 107.5° | 109.5° |
| C25 | C24 | H32 | 107.5° | 109.5° |
| O15 | S13 | N16 | 108.9° | 106.4° |
| O15 | S13 | O14 | 112.4° | 123.2° |
| O15 | S13 | C10 | 108.6° | 106.4° |
| C24 | N16 | S13 | 118.5° | 120.0° |
| C24 | N16 | C17 | 120.7° | 120.0° |
| N16 | C24 | H31 | 107.5° | 109.5° |
| N16 | C24 | H32 | 107.5° | 109.5° |
| C20 | C18 | C19 | 112.1° | 109.5° |
| C20 | C18 | C17 | 112.8° | 109.5° |
| C20 | C18 | H35 | 105.1° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.4° |
| C18 | C20 | H37 | 109.5° | 109.4° |
| C18 | C20 | H38 | 109.4° | 109.5° |
| S13 | N16 | C17 | 119.4° | 120.0° |
| N16 | S13 | O14 | 111.7° | 106.4° |
| N16 | S13 | C10 | 106.9° | 107.2° |
| N16 | C17 | C18 | 117.8° | 109.4° |
| N16 | C17 | C21 | 110.9° | 109.5° |
| N16 | C17 | H33 | 106.2° | 109.5° |
| O14 | S13 | C10 | 108.1° | 106.4° |
| S13 | C10 | C11 | 119.9° | 119.9° |
| S13 | C10 | C9 | 123.1° | 119.9° |
| C19 | C18 | C17 | 115.6° | 109.4° |
| C19 | C18 | H35 | 105.1° | 109.5° |
| C18 | C19 | H39 | 109.5° | 109.5° |
| C18 | C19 | H40 | 109.5° | 109.5° |
| C18 | C19 | H41 | 109.5° | 109.5° |
| C18 | C17 | C21 | 109.6° | 109.4° |
| C18 | C17 | H33 | 105.6° | 109.4° |
| C17 | C18 | H35 | 104.9° | 109.5° |
| C10 | C11 | C12 | 121.5° | 120.1° |
| C11 | C10 | C9 | 117.0° | 120.2° |
| C10 | C11 | H44 | 119.2° | 119.9° |
| C11 | C12 | C7 | 120.9° | 119.9° |
| C12 | C11 | H44 | 119.2° | 120.0° |
| C11 | C12 | H45 | 119.5° | 120.1° |
| C17 | C21 | O22 | 121.3° | 120.0° |
| C17 | C21 | O23 | 119.3° | 120.0° |
| C21 | C17 | H33 | 105.9° | 109.5° |
| C10 | C9 | C8 | 121.8° | 120.1° |
| C10 | C9 | H42 | 119.1° | 119.9° |
| C12 | C7 | C8 | 118.4° | 119.8° |
| C12 | C7 | C1 | 120.4° | 120.1° |
| C7 | C12 | H45 | 119.6° | 120.1° |
| O22 | C21 | O23 | 119.4° | 120.0° |
| C21 | O23 | H34 | 109.5° | 117.0° |
| C9 | C8 | C7 | 120.4° | 119.9° |
| C8 | C9 | H42 | 119.1° | 119.9° |
| C9 | C8 | H43 | 119.8° | 120.1° |
| C8 | C7 | C1 | 121.2° | 120.1° |
| C7 | C8 | H43 | 119.8° | 120.1° |
| C7 | C1 | C6 | 121.7° | 120.1° |
| C7 | C1 | C2 | 119.3° | 120.1° |
| C1 | C6 | C5 | 120.3° | 119.9° |
| C6 | C1 | C2 | 118.9° | 119.8° |
| C1 | C6 | H46 | 119.8° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.1° |
| C5 | C6 | H46 | 119.9° | 120.1° |
| C6 | C5 | H47 | 119.9° | 119.9° |
| C1 | C2 | C3 | 120.8° | 119.9° |
| C1 | C2 | H50 | 119.6° | 120.1° |
| C5 | C4 | C3 | 119.9° | 120.3° |
| C4 | C5 | H47 | 120.0° | 120.0° |
| C5 | C4 | H48 | 120.0° | 119.8° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C3 | H49 | 120.1° | 119.9° |
| C3 | C2 | H50 | 119.6° | 120.1° |
| C3 | C4 | H48 | 120.1° | 119.9° |
| C4 | C3 | H49 | 120.0° | 120.0° |
| H4 | C59 | H5 | 109.5° | 109.4° |
| H4 | C59 | H6 | 109.5° | 109.5° |
| H5 | C59 | H6 | 109.4° | 109.5° |
| H7 | C58 | H8 | 109.5° | 109.4° |
| H7 | C58 | H9 | 109.4° | 109.4° |
| H8 | C58 | H9 | 109.4° | 109.5° |
| H19 | C39 | H20 | 109.5° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.4° | 109.5° |
| H36 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H39 | C19 | H40 | 109.5° | 109.5° |
| H39 | C19 | H41 | 109.5° | 109.5° |
| H40 | C19 | H41 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C53 | C54 | H14 | 180.0° | 179.7° |
| C53 | C52 | C51 | H15 | 180.0° | 179.7° |
| C52 | C53 | C54 | C55 | 0.4° | 0.0° |
| C53 | C52 | C51 | C50 | 0.4° | 0.5° |
| C52 | C53 | C54 | H13 | 179.6° | 180.0° |
| C53 | C52 | C51 | H16 | 179.6° | 180.0° |
| C54 | C53 | C52 | C51 | 1.0° | 0.3° |
| C53 | C54 | C55 | H13 | 180.0° | 180.0° |
| C53 | C54 | C55 | C50 | 0.6° | 0.0° |
| C53 | C54 | C55 | H12 | 179.4° | 180.0° |
| C54 | C53 | C52 | H15 | 179.0° | 180.0° |
| C52 | C51 | C50 | H16 | 180.0° | 179.5° |
| C52 | C51 | C50 | C55 | 0.6° | 0.5° |
| C52 | C51 | C50 | C48 | 179.2° | 179.7° |
| C51 | C52 | C53 | H14 | 179.0° | 180.0° |
| C54 | C55 | C50 | C51 | 1.1° | 0.2° |
| C54 | C55 | C50 | H12 | 180.0° | 180.0° |
| C54 | C55 | C50 | C48 | 179.7° | 180.0° |
| C55 | C54 | C53 | H14 | 179.5° | 179.7° |
| C51 | C50 | C55 | C48 | 178.5° | 179.8° |
| C51 | C50 | C48 | C49 | 41.6° | 0.2° |
| C51 | C50 | C48 | C47 | 137.6° | 179.8° |
| C51 | C50 | C55 | H12 | 178.9° | 179.8° |
| C50 | C51 | C52 | H15 | 179.6° | 179.7° |
| C55 | C50 | C48 | C49 | 139.9° | 180.0° |
| C55 | C50 | C48 | C47 | 40.9° | 0.0° |
| C50 | C55 | C54 | H13 | 179.4° | 180.0° |
| C55 | C50 | C51 | H16 | 179.3° | 180.0° |
| C50 | C48 | C49 | C47 | 179.2° | 180.0° |
| C50 | C48 | C49 | C5A | 178.6° | 180.0° |
| C50 | C48 | C47 | C46 | 179.5° | 180.0° |
| C50 | C48 | C49 | H11 | 1.4° | 0.0° |
| C48 | C50 | C55 | H12 | 0.3° | 0.0° |
| C48 | C50 | C51 | H16 | 0.8° | 0.2° |
| C50 | C48 | C47 | H17 | 0.5° | 0.0° |
| O61 | C60 | O62 | C56 | 178.9° | 179.9° |
| O61 | C60 | C56 | C57 | 81.9° | 111.8° |
| O61 | C60 | C56 | N40 | 146.5° | 8.1° |
| O61 | C60 | O62 | H1 | 0.0° | 0.0° |
| O61 | C60 | C56 | H2 | 31.7° | 128.1° |
| C48 | C49 | C5A | H11 | 180.0° | 180.0° |
| C48 | C49 | C5A | C45 | 1.5° | 0.1° |
| C49 | C48 | C47 | C46 | 0.2° | 0.0° |
| C48 | C49 | C5A | H10 | 178.6° | 179.9° |
| C49 | C48 | C47 | H17 | 179.8° | 180.0° |
| C5A | C49 | C48 | C47 | 0.6° | 0.0° |
| C49 | C5A | C45 | H10 | 180.0° | 179.9° |
| C49 | C5A | C45 | C46 | 1.4° | 0.1° |
| C49 | C5A | C45 | S41 | 179.5° | 179.7° |
| C48 | C47 | C46 | H17 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 0.2° | 0.0° |
| C47 | C48 | C49 | H11 | 179.4° | 180.0° |
| C48 | C47 | C46 | H18 | 179.7° | 179.7° |
| O62 | C60 | C56 | C57 | 97.1° | 68.2° |
| O62 | C60 | C56 | N40 | 34.5° | 171.9° |
| O62 | C60 | C56 | H2 | 149.4° | 51.9° |
| C60 | C56 | C57 | N40 | 128.3° | 119.9° |
| C60 | C56 | C57 | H2 | 113.8° | 120.1° |
| C60 | C56 | N40 | H2 | 114.7° | 120.1° |
| C60 | C56 | C57 | C58 | 50.0° | 161.4° |
| C60 | C56 | C57 | C59 | 179.8° | 41.3° |
| C60 | C56 | N40 | S41 | 102.8° | 103.8° |
| C60 | C56 | N40 | C39 | 64.9° | 76.3° |
| C56 | C60 | O62 | H1 | 178.9° | 180.0° |
| C60 | C56 | C57 | H3 | 66.0° | 78.6° |
| C5A | C45 | C46 | C47 | 0.6° | 0.0° |
| C5A | C45 | C46 | S41 | 179.1° | 179.6° |
| C5A | C45 | S41 | O43 | 26.9° | 23.9° |
| C5A | C45 | S41 | N40 | 92.0° | 89.6° |
| C5A | C45 | S41 | O42 | 148.9° | 156.7° |
| C45 | C5A | C49 | H11 | 178.5° | 179.9° |
| C5A | C45 | C46 | H18 | 179.4° | 179.7° |
| C47 | C46 | C45 | H18 | 180.0° | 179.7° |
| C47 | C46 | C45 | S41 | 179.6° | 179.7° |
| C57 | C56 | N40 | H2 | 117.5° | 120.0° |
| C56 | C57 | C58 | C59 | 130.5° | 120.1° |
| C56 | C57 | C58 | H3 | 115.9° | 120.0° |
| C56 | C57 | C59 | H3 | 114.0° | 120.0° |
| C57 | C56 | N40 | S41 | 129.4° | 136.3° |
| C57 | C56 | N40 | C39 | 62.9° | 43.7° |
| C56 | C57 | C59 | H4 | 180.0° | 68.7° |
| C56 | C57 | C59 | H5 | 60.0° | 171.3° |
| C56 | C57 | C59 | H6 | 60.0° | 51.4° |
| C56 | C57 | C58 | H7 | 180.0° | 76.5° |
| C56 | C57 | C58 | H8 | 60.0° | 163.5° |
| C56 | C57 | C58 | H9 | 60.0° | 43.4° |
| C56 | N40 | S41 | C45 | 84.8° | 90.0° |
| N40 | C56 | C57 | C58 | 78.3° | 41.4° |
| N40 | C56 | C57 | C59 | 51.5° | 78.6° |
| C56 | N40 | S41 | O43 | 34.5° | 23.5° |
| C56 | N40 | S41 | C39 | 167.5° | 180.0° |
| C56 | N40 | S41 | O42 | 159.0° | 156.4° |
| C56 | N40 | C39 | C38 | 115.5° | 73.1° |
| N40 | C56 | C57 | H3 | 165.7° | 161.4° |
| C56 | N40 | C39 | H19 | 5.5° | 166.9° |
| C56 | N40 | C39 | H20 | 123.5° | 46.9° |
| C46 | C45 | S41 | O43 | 152.1° | 156.5° |
| C46 | C45 | S41 | N40 | 89.0° | 90.0° |
| C46 | C45 | S41 | O42 | 30.2° | 23.6° |
| C46 | C45 | C5A | H10 | 178.6° | 179.9° |
| C45 | C46 | C47 | H17 | 179.8° | 180.0° |
| C45 | S41 | O43 | N40 | 117.9° | 114.1° |
| C45 | S41 | O43 | O42 | 118.4° | 122.9° |
| C45 | S41 | N40 | O42 | 116.2° | 113.6° |
| C45 | S41 | N40 | C39 | 82.7° | 90.0° |
| S41 | C45 | C5A | H10 | 0.4° | 0.4° |
| S41 | C45 | C46 | H18 | 0.4° | 0.0° |
| C58 | C57 | C59 | H3 | 113.5° | 120.0° |
| C58 | C57 | C56 | H2 | 163.8° | 78.6° |
| C58 | C57 | C59 | H4 | 47.5° | 51.4° |
| C58 | C57 | C59 | H5 | 72.5° | 68.6° |
| C58 | C57 | C59 | H6 | 167.5° | 171.4° |
| C57 | C58 | H7 | H8 | 120.0° | 120.0° |
| C57 | C58 | H7 | H9 | 120.0° | 119.9° |
| C57 | C58 | H8 | H9 | 120.0° | 120.0° |
| C59 | C57 | C56 | H2 | 66.3° | 161.4° |
| C57 | C59 | H4 | H5 | 120.0° | 120.0° |
| C57 | C59 | H4 | H6 | 120.0° | 120.0° |
| C57 | C59 | H5 | H6 | 120.0° | 120.0° |
| C59 | C57 | C58 | H7 | 49.5° | 163.4° |
| C59 | C57 | C58 | H8 | 169.5° | 43.4° |
| C59 | C57 | C58 | H9 | 70.5° | 76.7° |
| O43 | S41 | N40 | O42 | 124.5° | 132.9° |
| O43 | S41 | N40 | C39 | 157.9° | 156.5° |
| S41 | N40 | C39 | C38 | 77.2° | 106.9° |
| S41 | N40 | C56 | H2 | 11.8° | 16.3° |
| S41 | N40 | C39 | H19 | 161.8° | 13.1° |
| S41 | N40 | C39 | H20 | 43.9° | 133.1° |
| C39 | N40 | S41 | O42 | 33.5° | 23.6° |
| N40 | C39 | C38 | H19 | 121.0° | 120.0° |
| N40 | C39 | C38 | H20 | 121.0° | 120.0° |
| N40 | C39 | C38 | N37 | 175.2° | 173.2° |
| C39 | N40 | C56 | H2 | 179.6° | 163.7° |
| N40 | C39 | H19 | H20 | 116.8° | 120.0° |
| N40 | C39 | C38 | H21 | 55.7° | 66.8° |
| N40 | C39 | C38 | H22 | 65.3° | 53.1° |
| C39 | C38 | N37 | H21 | 119.5° | 120.0° |
| C39 | C38 | N37 | H22 | 119.5° | 120.0° |
| C39 | C38 | N37 | C35 | 72.4° | 180.0° |
| C38 | C39 | H19 | H20 | 116.8° | 120.0° |
| C39 | C38 | H21 | H22 | 121.5° | 119.9° |
| C39 | C38 | N37 | H23 | 107.6° | 0.0° |
| O36 | C35 | N37 | C38 | 5.2° | 0.0° |
| O36 | C35 | N37 | C33 | 177.8° | 180.0° |
| O36 | C35 | C33 | C32 | 7.7° | 179.8° |
| O36 | C35 | C33 | C34 | 172.9° | 0.0° |
| O36 | C35 | N37 | H23 | 174.7° | 180.0° |
| C38 | N37 | C35 | H23 | 180.0° | 180.0° |
| C38 | N37 | C35 | C33 | 177.0° | 180.0° |
| N37 | C38 | C39 | H19 | 63.8° | 53.1° |
| N37 | C38 | C39 | H20 | 54.2° | 66.9° |
| N37 | C38 | H21 | H22 | 121.4° | 120.1° |
| N37 | C35 | C33 | C32 | 170.1° | 0.3° |
| N37 | C35 | C33 | C34 | 9.2° | 180.0° |
| C35 | N37 | C38 | H21 | 168.1° | 60.0° |
| C35 | N37 | C38 | H22 | 47.1° | 60.0° |
| C35 | C33 | C32 | C34 | 179.3° | 179.8° |
| C35 | C33 | C32 | C31 | 179.5° | 180.0° |
| C35 | C33 | C34 | C29 | 179.7° | 179.8° |
| C33 | C35 | N37 | H23 | 3.0° | 0.0° |
| C35 | C33 | C32 | H24 | 0.5° | 0.0° |
| C35 | C33 | C34 | H27 | 0.3° | 0.0° |
| C33 | C32 | C31 | H24 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | C34 | C29 | 0.3° | 0.5° |
| C33 | C32 | C31 | H25 | 180.0° | 180.0° |
| C32 | C33 | C34 | H27 | 179.6° | 179.8° |
| C31 | C32 | C33 | C34 | 0.1° | 0.2° |
| C32 | C31 | C30 | H25 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C32 | C31 | C30 | H26 | 180.0° | 180.0° |
| C33 | C34 | C29 | H27 | 180.0° | 179.7° |
| C33 | C34 | C29 | C30 | 0.4° | 0.5° |
| C33 | C34 | C29 | C27 | 179.6° | 179.8° |
| C34 | C33 | C32 | H24 | 179.9° | 179.8° |
| C31 | C30 | C29 | C34 | 0.2° | 0.3° |
| C31 | C30 | C29 | H26 | 180.0° | 180.0° |
| C31 | C30 | C29 | C27 | 179.8° | 180.0° |
| C30 | C31 | C32 | H24 | 179.9° | 180.0° |
| C34 | C29 | C30 | C27 | 180.0° | 179.7° |
| C34 | C29 | C27 | N26 | 11.9° | 179.7° |
| C34 | C29 | C27 | O28 | 168.6° | 0.3° |
| C34 | C29 | C30 | H26 | 179.8° | 179.8° |
| C30 | C29 | C27 | N26 | 168.1° | 0.0° |
| C30 | C29 | C27 | O28 | 11.4° | 180.0° |
| C29 | C30 | C31 | H25 | 180.0° | 180.0° |
| C30 | C29 | C34 | H27 | 179.6° | 179.7° |
| C29 | C27 | N26 | O28 | 179.5° | 180.0° |
| C29 | C27 | N26 | C25 | 175.0° | 180.0° |
| C27 | C29 | C30 | H26 | 0.2° | 0.0° |
| C27 | C29 | C34 | H27 | 0.4° | 0.0° |
| C29 | C27 | N26 | H28 | 5.0° | 0.0° |
| C27 | N26 | C25 | H28 | 180.0° | 180.0° |
| C27 | N26 | C25 | C24 | 82.1° | 180.0° |
| C27 | N26 | C25 | H29 | 37.6° | 60.0° |
| C27 | N26 | C25 | H30 | 158.1° | 60.0° |
| C25 | N26 | C27 | O28 | 5.4° | 0.0° |
| N26 | C25 | C24 | H29 | 119.7° | 120.0° |
| N26 | C25 | C24 | H30 | 119.8° | 120.0° |
| N26 | C25 | C24 | N16 | 176.5° | 176.4° |
| N26 | C25 | H29 | H30 | 120.7° | 120.0° |
| N26 | C25 | C24 | H31 | 55.4° | 56.4° |
| N26 | C25 | C24 | H32 | 62.4° | 63.6° |
| O28 | C27 | N26 | H28 | 174.6° | 180.0° |
| C25 | C24 | N16 | H31 | 121.1° | 120.0° |
| C25 | C24 | N16 | H32 | 121.1° | 120.0° |
| C25 | C24 | N16 | S13 | 89.3° | 83.9° |
| C25 | C24 | N16 | C17 | 104.0° | 96.1° |
| C24 | C25 | N26 | H28 | 97.9° | 0.0° |
| C24 | C25 | H29 | H30 | 120.7° | 120.0° |
| C25 | C24 | H31 | H32 | 116.5° | 120.0° |
| O15 | S13 | N16 | C24 | 30.8° | 23.6° |
| O15 | S13 | N16 | O14 | 124.8° | 132.9° |
| O15 | S13 | N16 | C10 | 117.2° | 113.6° |
| O15 | S13 | N16 | C17 | 162.4° | 156.5° |
| O15 | S13 | O14 | C10 | 119.9° | 123.0° |
| O15 | S13 | C10 | C11 | 29.1° | 23.3° |
| O15 | S13 | C10 | C9 | 151.0° | 156.5° |
| C24 | N16 | S13 | C17 | 166.8° | 179.9° |
| C24 | N16 | S13 | O14 | 155.6° | 156.5° |
| C24 | N16 | S13 | C10 | 86.3° | 90.0° |
| C24 | N16 | C17 | C18 | 63.3° | 56.7° |
| C24 | N16 | C17 | C21 | 64.1° | 63.2° |
| N16 | C24 | C25 | H29 | 63.7° | 63.6° |
| N16 | C24 | C25 | H30 | 56.7° | 56.4° |
| N16 | C24 | H31 | H32 | 116.6° | 120.0° |
| C24 | N16 | C17 | H33 | 178.7° | 176.7° |
| C20 | C18 | C17 | N16 | 52.3° | 60.4° |
| C20 | C18 | C19 | C17 | 131.2° | 120.0° |
| C20 | C18 | C19 | H35 | 113.7° | 120.0° |
| C20 | C18 | C17 | H35 | 113.9° | 120.0° |
| C20 | C18 | C17 | C21 | 179.7° | 179.6° |
| C20 | C18 | C17 | H33 | 66.1° | 59.6° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| C18 | C20 | H36 | H38 | 120.0° | 119.9° |
| C18 | C20 | H37 | H38 | 120.0° | 120.0° |
| C20 | C18 | C19 | H39 | 180.0° | 60.0° |
| C20 | C18 | C19 | H40 | 60.0° | 180.0° |
| C20 | C18 | C19 | H41 | 60.0° | 60.0° |
| N16 | S13 | O14 | C10 | 117.3° | 114.1° |
| S13 | N16 | C17 | C18 | 130.2° | 123.3° |
| N16 | S13 | C10 | C11 | 88.2° | 90.3° |
| S13 | N16 | C17 | C21 | 102.4° | 116.7° |
| N16 | S13 | C10 | C9 | 91.7° | 90.0° |
| S13 | N16 | C24 | H31 | 31.7° | 36.1° |
| S13 | N16 | C24 | H32 | 149.6° | 156.1° |
| S13 | N16 | C17 | H33 | 12.2° | 3.4° |
| C17 | N16 | S13 | O14 | 37.6° | 23.6° |
| C17 | N16 | S13 | C10 | 80.5° | 89.9° |
| N16 | C17 | C18 | C19 | 78.6° | 179.6° |
| N16 | C17 | C18 | C21 | 128.0° | 120.0° |
| N16 | C17 | C18 | H33 | 118.3° | 120.0° |
| N16 | C17 | C21 | H33 | 114.8° | 120.1° |
| N16 | C17 | C21 | O22 | 33.1° | 19.9° |
| N16 | C17 | C21 | O23 | 147.7° | 160.0° |
| C17 | N16 | C24 | H31 | 134.9° | 143.8° |
| C17 | N16 | C24 | H32 | 17.1° | 23.8° |
| N16 | C17 | C18 | H35 | 166.2° | 59.6° |
| O14 | S13 | C10 | C11 | 151.4° | 156.2° |
| O14 | S13 | C10 | C9 | 28.7° | 23.6° |
| S13 | C10 | C11 | C9 | 179.9° | 179.8° |
| S13 | C10 | C11 | C12 | 179.9° | 180.0° |
| S13 | C10 | C9 | C8 | 179.8° | 180.0° |
| S13 | C10 | C9 | H42 | 0.2° | 0.0° |
| S13 | C10 | C11 | H44 | 0.1° | 0.0° |
| C19 | C18 | C17 | H35 | 115.2° | 120.0° |
| C19 | C18 | C17 | C21 | 49.4° | 59.6° |
| C19 | C18 | C17 | H33 | 163.1° | 60.4° |
| C19 | C18 | C20 | H36 | 180.0° | 60.0° |
| C19 | C18 | C20 | H37 | 60.0° | 60.0° |
| C19 | C18 | C20 | H38 | 60.0° | 180.0° |
| C18 | C19 | H39 | H40 | 120.0° | 120.0° |
| C18 | C19 | H39 | H41 | 120.0° | 120.0° |
| C18 | C19 | H40 | H41 | 120.0° | 120.0° |
| C18 | C17 | C21 | H33 | 113.5° | 120.0° |
| C18 | C17 | C21 | O22 | 98.6° | 100.0° |
| C18 | C17 | C21 | O23 | 80.6° | 80.1° |
| C17 | C18 | C20 | H36 | 47.4° | 60.0° |
| C17 | C18 | C20 | H37 | 167.4° | 180.0° |
| C17 | C18 | C20 | H38 | 72.6° | 60.0° |
| C17 | C18 | C19 | H39 | 48.8° | 60.0° |
| C17 | C18 | C19 | H40 | 71.2° | 60.0° |
| C17 | C18 | C19 | H41 | 168.8° | 180.0° |
| C10 | C11 | C12 | H44 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.4° | 0.1° |
| C11 | C10 | C9 | C8 | 0.1° | 0.2° |
| C11 | C10 | C9 | H42 | 180.0° | 179.8° |
| C10 | C11 | C12 | H45 | 179.6° | 180.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.2° |
| C11 | C12 | C7 | H45 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 0.7° | 0.3° |
| C11 | C12 | C7 | C1 | 177.9° | 180.0° |
| C17 | C21 | O22 | O23 | 179.2° | 179.9° |
| C17 | C21 | O23 | H34 | 179.2° | 180.0° |
| C21 | C17 | C18 | H35 | 65.8° | 60.4° |
| C10 | C9 | C8 | H42 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H43 | 179.8° | 180.0° |
| C9 | C10 | C11 | H44 | 180.0° | 179.7° |
| C12 | C7 | C8 | C9 | 0.6° | 0.3° |
| C12 | C7 | C8 | C1 | 177.2° | 179.7° |
| C12 | C7 | C1 | C6 | 40.6° | 0.4° |
| C12 | C7 | C1 | C2 | 136.7° | 180.0° |
| C12 | C7 | C8 | H43 | 179.4° | 179.7° |
| C7 | C12 | C11 | H44 | 179.7° | 180.0° |
| O22 | C21 | C17 | H33 | 147.9° | 140.0° |
| O22 | C21 | O23 | H34 | 0.0° | 0.1° |
| O23 | C21 | C17 | H33 | 32.9° | 39.9° |
| C9 | C8 | C7 | H43 | 180.0° | 180.0° |
| C9 | C8 | C7 | C1 | 177.8° | 180.0° |
| C8 | C7 | C1 | C6 | 142.2° | 180.0° |
| C8 | C7 | C1 | C2 | 40.5° | 0.3° |
| C7 | C8 | C9 | H42 | 179.7° | 180.0° |
| C8 | C7 | C12 | H45 | 179.3° | 179.7° |
| C7 | C1 | C6 | C2 | 177.3° | 179.6° |
| C7 | C1 | C6 | C5 | 179.2° | 180.0° |
| C7 | C1 | C2 | C3 | 178.6° | 179.8° |
| C1 | C7 | C8 | H43 | 2.2° | 0.1° |
| C1 | C7 | C12 | H45 | 2.1° | 0.1° |
| C7 | C1 | C6 | H46 | 0.8° | 0.1° |
| C7 | C1 | C2 | H50 | 1.4° | 0.1° |
| C1 | C6 | C5 | H46 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.6° |
| C1 | C6 | C5 | H47 | 178.5° | 180.0° |
| C6 | C1 | C2 | H50 | 178.8° | 179.7° |
| C5 | C6 | C1 | C2 | 1.9° | 0.3° |
| C6 | C5 | C4 | H47 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H48 | 179.6° | 179.9° |
| C1 | C2 | C3 | H50 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.6° |
| C2 | C1 | C6 | H46 | 178.2° | 179.7° |
| C1 | C2 | C3 | H49 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C5 | C4 | C3 | H48 | 180.0° | 179.9° |
| C4 | C5 | C6 | H46 | 178.5° | 179.9° |
| C5 | C4 | C3 | H49 | 179.7° | 180.0° |
| C2 | C3 | C4 | H49 | 180.0° | 179.7° |
| C2 | C3 | C4 | H48 | 179.7° | 179.7° |
| C3 | C4 | C5 | H47 | 179.6° | 180.0° |
| C4 | C3 | C2 | H50 | 179.9° | 179.7° |
| H2 | C56 | C57 | H3 | 47.8° | 41.4° |
| H3 | C57 | C59 | H4 | 66.0° | 171.3° |
| H3 | C57 | C59 | H5 | 173.9° | 51.4° |
| H3 | C57 | C59 | H6 | 54.0° | 68.6° |
| H3 | C57 | C58 | H7 | 64.1° | 43.5° |
| H3 | C57 | C58 | H8 | 55.9° | 76.5° |
| H3 | C57 | C58 | H9 | 175.9° | 163.4° |
| H4 | C59 | H5 | H6 | 120.0° | 120.0° |
| H7 | C58 | H8 | H9 | 120.0° | 119.9° |
| H10 | C5A | C49 | H11 | 1.4° | 0.1° |
| H12 | C55 | C54 | H13 | 0.6° | 0.0° |
| H13 | C54 | C53 | H14 | 0.5° | 0.3° |
| H14 | C53 | C52 | H15 | 1.0° | 0.3° |
| H15 | C52 | C51 | H16 | 0.4° | 0.2° |
| H17 | C47 | C46 | H18 | 0.2° | 0.3° |
| H19 | C39 | C38 | H21 | 176.7° | 173.2° |
| H19 | C39 | C38 | H22 | 55.7° | 66.9° |
| H20 | C39 | C38 | H21 | 65.3° | 53.2° |
| H20 | C39 | C38 | H22 | 173.7° | 173.1° |
| H21 | C38 | N37 | H23 | 11.9° | 120.0° |
| H22 | C38 | N37 | H23 | 132.9° | 120.0° |
| H24 | C32 | C31 | H25 | 0.0° | 0.0° |
| H25 | C31 | C30 | H26 | 0.0° | 0.0° |
| H28 | N26 | C25 | H29 | 142.4° | 120.0° |
| H28 | N26 | C25 | H30 | 21.9° | 120.0° |
| H29 | C25 | C24 | H31 | 175.2° | 176.4° |
| H29 | C25 | C24 | H32 | 57.4° | 56.4° |
| H30 | C25 | C24 | H31 | 64.4° | 63.6° |
| H30 | C25 | C24 | H32 | 177.9° | 176.4° |
| H33 | C17 | C18 | H35 | 47.8° | 179.6° |
| H35 | C18 | C20 | H36 | 66.3° | 179.9° |
| H35 | C18 | C20 | H37 | 53.6° | 60.0° |
| H35 | C18 | C20 | H38 | 173.6° | 60.0° |
| H35 | C18 | C19 | H39 | 66.3° | 180.0° |
| H35 | C18 | C19 | H40 | 173.7° | 60.0° |
| H35 | C18 | C19 | H41 | 53.7° | 60.0° |
| H36 | C20 | H37 | H38 | 120.0° | 120.1° |
| H39 | C19 | H40 | H41 | 120.0° | 120.0° |
| H42 | C9 | C8 | H43 | 0.2° | 0.0° |
| H44 | C11 | C12 | H45 | 0.3° | 0.1° |
| H46 | C6 | C5 | H47 | 1.5° | 0.1° |
| H47 | C5 | C4 | H48 | 0.4° | 0.0° |
| H48 | C4 | C3 | H49 | 0.3° | 0.1° |
| H49 | C3 | C2 | H50 | 0.1° | 0.0° |
