MRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C17 | doub | 1.22Å | 1.22Å | |
| O2 | C3 | sing | 1.45Å | 1.42Å | |
| O2 | C17 | sing | 1.35Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C4 | C9 | sing | 1.51Å | 1.46Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | N28 | sing | 1.35Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | N37 | sing | 1.47Å | 1.46Å | |
| C19 | O20 | doub | 1.21Å | 1.23Å | |
| C19 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | N28 | sing | 1.47Å | 1.50Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.48Å | |
| O30 | C31 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | N38 | sing | 1.35Å | 1.34Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | N37 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| N38 | C39 | sing | 1.46Å | 1.46Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C44 | sing | 1.51Å | 1.51Å | |
| C40 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | O42 | sing | 1.34Å | 1.25Å | |
| C41 | O43 | doub | 1.21Å | 1.25Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| C44 | N46 | sing | 1.35Å | 1.34Å | |
| N46 | C47 | sing | 1.47Å | 1.46Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C54 | sing | 1.51Å | 1.51Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C53 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C54 | O55 | doub | 1.21Å | 1.23Å | |
| C54 | N56 | sing | 1.35Å | 1.34Å | |
| N56 | C57 | sing | 1.47Å | 1.46Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | C62 | sing | 1.51Å | 1.50Å | |
| C58 | C59 | sing | 1.51Å | 1.51Å | |
| C59 | O60 | sing | 1.34Å | 1.25Å | |
| C59 | O61 | doub | 1.21Å | 1.25Å | |
| C62 | O63 | doub | 1.21Å | 1.22Å | |
| C62 | N64 | sing | 1.35Å | 1.33Å | |
| N64 | C65 | sing | 1.46Å | 1.44Å | |
| C65 | C66 | sing | 1.51Å | 1.50Å | |
| C65 | C69 | sing | 1.53Å | 1.51Å | |
| C66 | O67 | doub | 1.21Å | 1.26Å | |
| C66 | O68 | sing | 1.34Å | 1.26Å | |
| C69 | C70 | sing | 1.51Å | 1.48Å | |
| C70 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C70 | C75 | sing | 1.38Å | 1.39Å | Aromatic |
| C71 | C72 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C73 | doub | 1.38Å | 1.39Å | Aromatic |
| C73 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C74 | C75 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| N37 | HN37 | sing | 1.01Å | 1.00Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| N46 | HN46 | sing | 0.97Å | 1.00Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| N56 | HN56 | sing | 0.97Å | 1.00Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| O60 | HO60 | sing | 0.97Å | 0.95Å | |
| N64 | HN64 | sing | 0.97Å | 1.00Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| O68 | HO68 | sing | 0.97Å | 0.95Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H69A | sing | 1.09Å | 1.10Å | |
| C71 | H71 | sing | 1.08Å | 1.08Å | |
| C72 | H72 | sing | 1.08Å | 1.08Å | |
| C73 | H73 | sing | 1.08Å | 1.08Å | |
| C74 | H74 | sing | 1.08Å | 1.08Å | |
| C75 | H75 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C17 | O2 | 117.1° | 120.0° |
| O1 | C17 | N28 | 122.7° | 120.0° |
| C3 | O2 | C17 | 119.9° | 117.0° |
| O2 | C3 | C4 | 105.6° | 109.4° |
| O2 | C3 | H3 | 110.8° | 109.5° |
| O2 | C3 | H3A | 111.6° | 109.5° |
| O2 | C17 | N28 | 120.1° | 120.0° |
| C3 | C4 | C5 | 112.1° | 110.1° |
| C3 | C4 | C9 | 110.7° | 110.1° |
| C4 | C3 | H3 | 110.8° | 109.5° |
| C4 | C3 | H3A | 111.6° | 109.4° |
| C3 | C4 | H4 | 104.4° | 110.1° |
| C5 | C4 | C9 | 100.1° | 106.1° |
| C4 | C5 | C6 | 127.0° | 132.2° |
| C4 | C5 | C15 | 111.5° | 107.5° |
| C5 | C4 | H4 | 114.2° | 110.2° |
| C4 | C9 | C10 | 127.0° | 132.2° |
| C4 | C9 | C14 | 111.8° | 107.5° |
| C9 | C4 | H4 | 115.5° | 110.2° |
| C6 | C5 | C15 | 121.5° | 120.3° |
| C5 | C6 | C7 | 117.2° | 120.0° |
| C5 | C6 | H6 | 121.4° | 120.0° |
| C5 | C15 | C14 | 108.5° | 109.4° |
| C5 | C15 | C16 | 122.3° | 119.3° |
| C6 | C7 | C8 | 120.8° | 120.1° |
| C7 | C6 | H6 | 121.4° | 120.0° |
| C6 | C7 | H7 | 119.6° | 119.9° |
| C7 | C8 | C16 | 121.6° | 120.2° |
| C8 | C7 | H7 | 119.6° | 119.9° |
| C7 | C8 | H8 | 119.2° | 119.9° |
| C8 | C16 | C15 | 116.6° | 120.0° |
| C16 | C8 | H8 | 119.2° | 119.8° |
| C8 | C16 | H16 | 121.7° | 120.0° |
| C10 | C9 | C14 | 121.2° | 120.2° |
| C9 | C10 | C11 | 117.5° | 120.1° |
| C9 | C10 | H10 | 121.3° | 119.9° |
| C9 | C14 | C13 | 122.4° | 119.4° |
| C9 | C14 | C15 | 108.2° | 109.5° |
| C10 | C11 | C12 | 121.0° | 120.1° |
| C11 | C10 | H10 | 121.3° | 120.0° |
| C10 | C11 | H11 | 119.5° | 119.9° |
| C11 | C12 | C13 | 121.1° | 120.3° |
| C12 | C11 | H11 | 119.5° | 120.0° |
| C11 | C12 | H12 | 119.5° | 119.8° |
| C12 | C13 | C14 | 116.8° | 119.9° |
| C13 | C12 | H12 | 119.4° | 119.9° |
| C12 | C13 | H13 | 121.6° | 120.0° |
| C13 | C14 | C15 | 129.4° | 131.2° |
| C14 | C13 | H13 | 121.6° | 120.0° |
| C14 | C15 | C16 | 129.3° | 131.2° |
| C15 | C16 | H16 | 121.7° | 120.0° |
| C17 | N28 | C21 | 116.0° | 120.0° |
| C17 | N28 | C29 | 112.0° | 120.0° |
| C19 | C18 | N37 | 112.0° | 109.5° |
| C18 | C19 | O20 | 118.0° | 120.0° |
| C18 | C19 | C21 | 123.2° | 120.0° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H18A | 108.1° | 109.5° |
| C18 | N37 | C32 | 126.5° | 111.0° |
| N37 | C18 | H18 | 108.7° | 109.5° |
| N37 | C18 | H18A | 108.1° | 109.4° |
| C18 | N37 | HN37 | 104.2° | 111.0° |
| O20 | C19 | C21 | 118.9° | 120.0° |
| C19 | C21 | C22 | 108.2° | 109.5° |
| C19 | C21 | N28 | 113.4° | 109.5° |
| C19 | C21 | H21 | 111.0° | 109.5° |
| C22 | C21 | N28 | 117.4° | 109.4° |
| C21 | C22 | C23 | 117.8° | 120.0° |
| C21 | C22 | C27 | 123.7° | 120.0° |
| C22 | C21 | H21 | 106.2° | 109.5° |
| C21 | N28 | C29 | 111.1° | 120.0° |
| N28 | C21 | H21 | 100.1° | 109.5° |
| C23 | C22 | C27 | 118.4° | 120.0° |
| C22 | C23 | C24 | 120.5° | 120.0° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C22 | C27 | C26 | 121.3° | 120.0° |
| C22 | C27 | H27 | 119.4° | 120.0° |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | H25 | 120.2° | 119.9° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C26 | C25 | H25 | 120.3° | 120.0° |
| C25 | C26 | H26 | 120.1° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | H27 | 119.4° | 119.9° |
| N28 | C29 | H29 | 109.5° | 109.4° |
| N28 | C29 | H29A | 109.4° | 109.4° |
| N28 | C29 | H29B | 109.5° | 109.5° |
| O30 | C31 | C32 | 121.0° | 120.0° |
| O30 | C31 | N38 | 122.6° | 120.0° |
| C32 | C31 | N38 | 116.4° | 120.0° |
| C31 | C32 | C33 | 106.0° | 109.4° |
| C31 | C32 | N37 | 116.2° | 109.5° |
| C31 | C32 | H32 | 106.7° | 109.4° |
| C31 | N38 | C39 | 122.3° | 120.0° |
| C31 | N38 | HN38 | 118.9° | 120.0° |
| C33 | C32 | N37 | 107.3° | 109.5° |
| C32 | C33 | C34 | 113.0° | 109.5° |
| C33 | C32 | H32 | 115.7° | 109.5° |
| C32 | C33 | H33 | 108.3° | 109.5° |
| C32 | C33 | H33A | 107.5° | 109.5° |
| N37 | C32 | H32 | 105.4° | 109.5° |
| C32 | N37 | HN37 | 104.1° | 111.0° |
| C33 | C34 | C35 | 111.3° | 109.5° |
| C33 | C34 | C36 | 110.8° | 109.5° |
| C34 | C33 | H33 | 108.3° | 109.4° |
| C34 | C33 | H33A | 107.5° | 109.5° |
| C33 | C34 | H34 | 107.3° | 109.4° |
| C35 | C34 | C36 | 109.7° | 109.5° |
| C35 | C34 | H34 | 108.5° | 109.4° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.4° | 109.4° |
| C36 | C34 | H34 | 109.0° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.5° |
| C34 | C36 | H36A | 109.4° | 109.5° |
| C34 | C36 | H36B | 109.5° | 109.4° |
| N38 | C39 | C40 | 108.2° | 109.5° |
| N38 | C39 | C44 | 112.9° | 109.5° |
| C39 | N38 | HN38 | 118.8° | 120.0° |
| N38 | C39 | H39 | 108.2° | 109.5° |
| C40 | C39 | C44 | 109.9° | 109.5° |
| C39 | C40 | C41 | 112.8° | 109.5° |
| C40 | C39 | H39 | 111.3° | 109.5° |
| C39 | C40 | H40 | 108.4° | 109.4° |
| C39 | C40 | H40A | 107.7° | 109.5° |
| C39 | C44 | O45 | 120.2° | 120.0° |
| C39 | C44 | N46 | 116.7° | 120.0° |
| C44 | C39 | H39 | 106.4° | 109.5° |
| C40 | C41 | O42 | 119.5° | 120.0° |
| C40 | C41 | O43 | 117.9° | 120.0° |
| C41 | C40 | H40 | 108.4° | 109.5° |
| C41 | C40 | H40A | 107.6° | 109.5° |
| O42 | C41 | O43 | 122.6° | 120.0° |
| C41 | O42 | HO42 | 109.5° | 117.0° |
| O45 | C44 | N46 | 123.1° | 120.0° |
| C44 | N46 | C47 | 122.9° | 120.0° |
| C44 | N46 | HN46 | 118.6° | 120.1° |
| N46 | C47 | C48 | 106.1° | 109.5° |
| N46 | C47 | C54 | 113.3° | 109.4° |
| C47 | N46 | HN46 | 118.6° | 120.0° |
| N46 | C47 | H47 | 109.3° | 109.5° |
| C48 | C47 | C54 | 109.8° | 109.4° |
| C47 | C48 | C49 | 111.2° | 109.5° |
| C47 | C48 | C53 | 111.6° | 109.5° |
| C48 | C47 | H47 | 112.9° | 109.5° |
| C47 | C48 | H48 | 106.7° | 109.5° |
| C47 | C54 | O55 | 119.9° | 120.0° |
| C47 | C54 | N56 | 117.5° | 120.0° |
| C54 | C47 | H47 | 105.7° | 109.5° |
| C49 | C48 | C53 | 109.3° | 109.5° |
| C48 | C49 | C50 | 111.5° | 109.5° |
| C49 | C48 | H48 | 109.2° | 109.4° |
| C48 | C49 | H49 | 108.8° | 109.5° |
| C48 | C49 | H49A | 108.4° | 109.4° |
| C48 | C53 | C52 | 111.4° | 109.4° |
| C53 | C48 | H48 | 108.7° | 109.5° |
| C48 | C53 | H53 | 108.8° | 109.5° |
| C48 | C53 | H53A | 108.4° | 109.4° |
| C49 | C50 | C51 | 110.7° | 109.5° |
| C50 | C49 | H49 | 108.8° | 109.5° |
| C50 | C49 | H49A | 108.3° | 109.5° |
| C49 | C50 | H50 | 109.1° | 109.4° |
| C49 | C50 | H50A | 108.8° | 109.4° |
| C50 | C51 | C52 | 110.7° | 109.5° |
| C51 | C50 | H50 | 109.1° | 109.5° |
| C51 | C50 | H50A | 108.8° | 109.5° |
| C50 | C51 | H51 | 109.1° | 109.5° |
| C50 | C51 | H51A | 108.8° | 109.5° |
| C51 | C52 | C53 | 110.9° | 109.5° |
| C52 | C51 | H51 | 109.1° | 109.5° |
| C52 | C51 | H51A | 108.8° | 109.5° |
| C51 | C52 | H52 | 109.0° | 109.4° |
| C51 | C52 | H52A | 108.7° | 109.5° |
| C53 | C52 | H52 | 109.0° | 109.5° |
| C53 | C52 | H52A | 108.7° | 109.5° |
| C52 | C53 | H53 | 108.8° | 109.5° |
| C52 | C53 | H53A | 108.4° | 109.5° |
| O55 | C54 | N56 | 122.6° | 120.0° |
| C54 | N56 | C57 | 122.4° | 120.0° |
| C54 | N56 | HN56 | 118.8° | 120.0° |
| N56 | C57 | C58 | 106.9° | 109.5° |
| N56 | C57 | C62 | 106.8° | 109.5° |
| C57 | N56 | HN56 | 118.8° | 119.9° |
| N56 | C57 | H57 | 113.8° | 109.4° |
| C58 | C57 | C62 | 112.3° | 109.5° |
| C57 | C58 | C59 | 110.7° | 109.5° |
| C58 | C57 | H57 | 108.5° | 109.5° |
| C57 | C58 | H58 | 109.0° | 109.5° |
| C57 | C58 | H58A | 108.8° | 109.4° |
| C57 | C62 | O63 | 123.2° | 120.0° |
| C57 | C62 | N64 | 110.6° | 120.0° |
| C62 | C57 | H57 | 108.6° | 109.5° |
| C58 | C59 | O60 | 118.7° | 120.0° |
| C58 | C59 | O61 | 118.5° | 120.0° |
| C59 | C58 | H58 | 109.1° | 109.5° |
| C59 | C58 | H58A | 108.8° | 109.5° |
| O60 | C59 | O61 | 122.8° | 120.0° |
| C59 | O60 | HO60 | 109.5° | 117.1° |
| O63 | C62 | N64 | 126.2° | 120.1° |
| C62 | N64 | C65 | 132.3° | 120.0° |
| C62 | N64 | HN64 | 113.8° | 120.0° |
| N64 | C65 | C66 | 106.3° | 109.4° |
| N64 | C65 | C69 | 97.8° | 109.5° |
| C65 | N64 | HN64 | 113.9° | 120.0° |
| N64 | C65 | H65 | 119.7° | 109.5° |
| C66 | C65 | C69 | 112.9° | 109.5° |
| C65 | C66 | O67 | 119.5° | 120.0° |
| C65 | C66 | O68 | 116.6° | 120.0° |
| C66 | C65 | H65 | 106.2° | 109.5° |
| C65 | C69 | C70 | 131.1° | 109.5° |
| C69 | C65 | H65 | 113.8° | 109.5° |
| C65 | C69 | H69 | 102.8° | 109.5° |
| C65 | C69 | H69A | 97.8° | 109.5° |
| O67 | C66 | O68 | 123.9° | 119.9° |
| C66 | O68 | HO68 | 109.5° | 117.0° |
| C69 | C70 | C71 | 123.4° | 120.0° |
| C69 | C70 | C75 | 116.7° | 120.0° |
| C70 | C69 | H69 | 102.8° | 109.5° |
| C70 | C69 | H69A | 97.8° | 109.5° |
| C71 | C70 | C75 | 119.9° | 120.0° |
| C70 | C71 | C72 | 119.8° | 120.0° |
| C70 | C71 | H71 | 120.1° | 120.0° |
| C70 | C75 | C74 | 120.4° | 120.0° |
| C70 | C75 | H75 | 119.8° | 120.0° |
| C71 | C72 | C73 | 120.1° | 120.0° |
| C72 | C71 | H71 | 120.1° | 120.0° |
| C71 | C72 | H72 | 119.9° | 120.0° |
| C72 | C73 | C74 | 120.3° | 120.0° |
| C73 | C72 | H72 | 119.9° | 120.0° |
| C72 | C73 | H73 | 119.8° | 120.0° |
| C73 | C74 | C75 | 119.4° | 120.0° |
| C74 | C73 | H73 | 119.8° | 120.1° |
| C73 | C74 | H74 | 120.3° | 119.9° |
| C75 | C74 | H74 | 120.3° | 120.0° |
| C74 | C75 | H75 | 119.8° | 120.0° |
| H3 | C3 | H3A | 106.5° | 109.5° |
| H18 | C18 | H18A | 111.4° | 109.4° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H33 | C33 | H33A | 112.3° | 109.4° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.4° |
| H40 | C40 | H40A | 112.1° | 109.5° |
| H49 | C49 | H49A | 111.0° | 109.5° |
| H50 | C50 | H50A | 110.4° | 109.5° |
| H51 | C51 | H51A | 110.4° | 109.4° |
| H52 | C52 | H52A | 110.6° | 109.4° |
| H53 | C53 | H53A | 111.0° | 109.5° |
| H58 | C58 | H58A | 110.4° | 109.5° |
| H69 | C69 | H69A | 128.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C17 | O2 | C3 | 121.5° | 0.0° |
| O1 | C17 | O2 | N28 | 178.7° | 180.0° |
| O1 | C17 | N28 | C21 | 46.6° | 0.0° |
| O1 | C17 | N28 | C29 | 82.3° | 180.0° |
| O2 | C3 | C4 | H3 | 120.0° | 120.1° |
| O2 | C3 | C4 | H3A | 121.5° | 119.9° |
| O2 | C3 | C4 | C5 | 170.6° | 175.0° |
| O2 | C3 | C4 | C9 | 78.5° | 68.4° |
| C3 | O2 | C17 | N28 | 59.8° | 180.0° |
| O2 | C3 | H3 | H3A | 121.6° | 120.0° |
| O2 | C3 | C4 | H4 | 46.5° | 53.3° |
| C17 | O2 | C3 | C4 | 62.5° | 180.0° |
| O2 | C17 | N28 | C21 | 132.1° | 180.0° |
| O2 | C17 | N28 | C29 | 99.0° | 0.0° |
| C17 | O2 | C3 | H3 | 177.5° | 60.0° |
| C17 | O2 | C3 | H3A | 59.0° | 60.1° |
| C3 | C4 | C5 | C9 | 117.4° | 119.1° |
| C3 | C4 | C5 | H4 | 118.4° | 121.6° |
| C3 | C4 | C9 | H4 | 118.3° | 121.6° |
| C3 | C4 | C5 | C6 | 62.7° | 60.9° |
| C3 | C4 | C5 | C15 | 117.6° | 119.1° |
| C3 | C4 | C9 | C10 | 61.4° | 60.9° |
| C3 | C4 | C9 | C14 | 118.5° | 119.1° |
| C4 | C3 | H3 | H3A | 121.6° | 120.0° |
| C5 | C4 | C9 | H4 | 123.2° | 119.3° |
| C4 | C5 | C6 | C15 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | C9 | C10 | 179.9° | 180.0° |
| C5 | C4 | C9 | C14 | 0.1° | 0.0° |
| C4 | C5 | C15 | C14 | 0.2° | 0.0° |
| C4 | C5 | C15 | C16 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 69.4° | 65.0° |
| C5 | C4 | C3 | H3A | 49.2° | 55.0° |
| C4 | C5 | C6 | H6 | 0.1° | 0.1° |
| C9 | C4 | C5 | C6 | 179.8° | 180.0° |
| C9 | C4 | C5 | C15 | 0.2° | 0.0° |
| C4 | C9 | C10 | C14 | 179.9° | 180.0° |
| C4 | C9 | C10 | C11 | 180.0° | 179.9° |
| C4 | C9 | C14 | C13 | 179.9° | 180.0° |
| C4 | C9 | C14 | C15 | 0.0° | 0.0° |
| C9 | C4 | C3 | H3 | 41.5° | 51.6° |
| C9 | C4 | C3 | H3A | 160.1° | 171.6° |
| C4 | C9 | C10 | H10 | 0.0° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C6 | C5 | C15 | C14 | 179.9° | 180.0° |
| C6 | C5 | C15 | C16 | 0.3° | 0.0° |
| C6 | C5 | C4 | H4 | 55.7° | 60.7° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C15 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C15 | C16 | C8 | 0.0° | 0.0° |
| C5 | C15 | C14 | C9 | 0.1° | 0.0° |
| C5 | C15 | C14 | C13 | 179.8° | 180.0° |
| C5 | C15 | C14 | C16 | 179.8° | 179.9° |
| C15 | C5 | C4 | H4 | 124.0° | 119.3° |
| C15 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C15 | C16 | H16 | 180.0° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C16 | 0.3° | 0.1° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C8 | C16 | H8 | 180.0° | 179.9° |
| C7 | C8 | C16 | C15 | 0.3° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C8 | C16 | H16 | 179.7° | 179.9° |
| C8 | C16 | C15 | C14 | 179.8° | 180.0° |
| C8 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C8 | C7 | H7 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C10 | C9 | C14 | C15 | 180.0° | 180.0° |
| C10 | C9 | C4 | H4 | 56.9° | 60.8° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C14 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C14 | C13 | C12 | 0.1° | 0.1° |
| C9 | C14 | C13 | C15 | 179.9° | 180.0° |
| C9 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | C9 | C4 | H4 | 123.1° | 119.3° |
| C14 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C15 | C14 | C13 | H13 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 0.2° | 0.1° |
| C15 | C16 | C8 | H8 | 179.7° | 180.0° |
| C17 | N28 | C21 | C19 | 165.5° | 120.6° |
| C17 | N28 | C21 | C22 | 67.0° | 119.4° |
| C17 | N28 | C21 | C29 | 129.3° | 180.0° |
| C17 | N28 | C21 | H21 | 47.3° | 0.6° |
| C17 | N28 | C29 | H29 | 66.8° | 86.9° |
| C17 | N28 | C29 | H29A | 173.3° | 153.2° |
| C17 | N28 | C29 | H29B | 53.2° | 33.1° |
| C19 | C18 | N37 | H18 | 120.0° | 120.0° |
| C19 | C18 | N37 | H18A | 118.9° | 120.0° |
| C18 | C19 | O20 | C21 | 179.4° | 180.0° |
| C18 | C19 | C21 | C22 | 82.5° | 80.0° |
| C18 | C19 | C21 | N28 | 49.6° | 160.0° |
| C19 | C18 | N37 | C32 | 143.6° | 174.8° |
| C19 | C18 | H18 | H18A | 119.0° | 120.0° |
| C18 | C19 | C21 | H21 | 161.3° | 40.0° |
| C19 | C18 | N37 | HN37 | 96.4° | 61.3° |
| N37 | C18 | C19 | O20 | 121.1° | 0.0° |
| N37 | C18 | C19 | C21 | 58.2° | 180.0° |
| C18 | N37 | C32 | C31 | 51.2° | 151.9° |
| C18 | N37 | C32 | C33 | 169.5° | 88.1° |
| C18 | N37 | C32 | HN37 | 120.0° | 124.0° |
| N37 | C18 | H18 | H18A | 119.0° | 120.0° |
| C18 | N37 | C32 | H32 | 66.6° | 32.0° |
| O20 | C19 | C21 | C22 | 96.8° | 100.0° |
| O20 | C19 | C21 | N28 | 131.0° | 20.0° |
| O20 | C19 | C18 | H18 | 1.1° | 120.0° |
| O20 | C19 | C18 | H18A | 119.9° | 120.0° |
| O20 | C19 | C21 | H21 | 19.3° | 140.0° |
| C19 | C21 | C22 | N28 | 129.9° | 120.0° |
| C19 | C21 | C22 | H21 | 119.2° | 120.1° |
| C19 | C21 | N28 | H21 | 118.2° | 120.0° |
| C19 | C21 | C22 | C23 | 41.1° | 64.4° |
| C19 | C21 | C22 | C27 | 139.5° | 115.9° |
| C19 | C21 | N28 | C29 | 65.2° | 59.4° |
| C21 | C19 | C18 | H18 | 178.3° | 60.0° |
| C21 | C19 | C18 | H18A | 60.7° | 60.0° |
| C22 | C21 | N28 | H21 | 114.3° | 120.0° |
| C21 | C22 | C23 | C27 | 179.5° | 179.7° |
| C21 | C22 | C23 | C24 | 179.5° | 180.0° |
| C21 | C22 | C27 | C26 | 179.3° | 179.8° |
| C22 | C21 | N28 | C29 | 62.3° | 60.6° |
| C21 | C22 | C23 | H23 | 0.5° | 0.1° |
| C21 | C22 | C27 | H27 | 0.7° | 0.1° |
| N28 | C21 | C22 | C23 | 171.0° | 55.6° |
| N28 | C21 | C22 | C27 | 9.5° | 124.1° |
| C21 | N28 | C29 | H29 | 64.6° | 93.1° |
| C21 | N28 | C29 | H29A | 55.3° | 26.8° |
| C21 | N28 | C29 | H29B | 175.4° | 146.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C27 | C26 | 0.1° | 0.5° |
| C23 | C22 | C21 | H21 | 78.1° | 175.6° |
| C22 | C23 | C24 | H24 | 179.9° | 179.9° |
| C23 | C22 | C27 | H27 | 179.9° | 179.7° |
| C27 | C22 | C23 | C24 | 0.0° | 0.3° |
| C22 | C27 | C26 | C25 | 0.2° | 0.5° |
| C22 | C27 | C26 | H27 | 180.0° | 179.8° |
| C27 | C22 | C21 | H21 | 101.3° | 4.2° |
| C27 | C22 | C23 | H23 | 180.0° | 179.8° |
| C22 | C27 | C26 | H26 | 179.9° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | H23 | 179.9° | 179.9° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 179.8° | 179.7° |
| C27 | C26 | C25 | H25 | 179.9° | 179.8° |
| C29 | N28 | C21 | H21 | 176.6° | 179.4° |
| N28 | C29 | H29 | H29A | 120.0° | 119.9° |
| N28 | C29 | H29 | H29B | 120.0° | 120.0° |
| N28 | C29 | H29A | H29B | 120.0° | 120.0° |
| O30 | C31 | C32 | N38 | 178.8° | 180.0° |
| O30 | C31 | C32 | C33 | 119.9° | 102.0° |
| O30 | C31 | C32 | N37 | 0.9° | 17.9° |
| O30 | C31 | N38 | C39 | 0.4° | 5.2° |
| O30 | C31 | C32 | H32 | 116.3° | 138.0° |
| O30 | C31 | N38 | HN38 | 179.6° | 174.7° |
| C31 | C32 | C33 | N37 | 124.7° | 120.0° |
| C31 | C32 | C33 | H32 | 118.0° | 119.9° |
| C31 | C32 | N37 | H32 | 117.9° | 120.0° |
| C31 | C32 | C33 | C34 | 174.7° | 61.4° |
| C32 | C31 | N38 | C39 | 179.1° | 174.8° |
| C31 | C32 | C33 | H33 | 54.8° | 178.6° |
| C31 | C32 | C33 | H33A | 66.8° | 58.7° |
| C31 | C32 | N37 | HN37 | 171.2° | 84.1° |
| C32 | C31 | N38 | HN38 | 0.9° | 5.2° |
| N38 | C31 | C32 | C33 | 58.9° | 77.9° |
| N38 | C31 | C32 | N37 | 177.9° | 162.1° |
| C31 | N38 | C39 | HN38 | 180.0° | 180.0° |
| C31 | N38 | C39 | C40 | 70.2° | 157.5° |
| C31 | N38 | C39 | C44 | 168.0° | 82.5° |
| N38 | C31 | C32 | H32 | 65.0° | 42.0° |
| C31 | N38 | C39 | H39 | 50.5° | 37.5° |
| C33 | C32 | N37 | H32 | 123.8° | 120.1° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 118.5° | 120.1° |
| C32 | C33 | C34 | C35 | 94.5° | 65.8° |
| C32 | C33 | C34 | C36 | 143.1° | 174.1° |
| C32 | C33 | H33 | H33A | 118.6° | 120.0° |
| C32 | C33 | C34 | H34 | 24.1° | 54.1° |
| C33 | C32 | N37 | HN37 | 70.5° | 35.9° |
| N37 | C32 | C33 | C34 | 50.0° | 178.6° |
| C32 | N37 | C18 | H18 | 23.6° | 54.7° |
| C32 | N37 | C18 | H18A | 97.5° | 65.2° |
| N37 | C32 | C33 | H33 | 70.0° | 58.7° |
| N37 | C32 | C33 | H33A | 168.5° | 61.3° |
| C33 | C34 | C35 | C36 | 123.1° | 120.1° |
| C33 | C34 | C35 | H34 | 117.9° | 119.9° |
| C33 | C34 | C36 | H34 | 117.9° | 119.9° |
| C34 | C33 | C32 | H32 | 67.3° | 58.5° |
| C34 | C33 | H33 | H33A | 118.6° | 119.9° |
| C33 | C34 | C35 | H35 | 111.7° | 176.0° |
| C33 | C34 | C35 | H35A | 8.3° | 56.0° |
| C33 | C34 | C35 | H35B | 128.3° | 64.0° |
| C33 | C34 | C36 | H36 | 65.6° | 60.0° |
| C33 | C34 | C36 | H36A | 54.4° | 180.0° |
| C33 | C34 | C36 | H36B | 174.4° | 60.1° |
| C35 | C34 | C36 | H34 | 118.7° | 120.0° |
| C35 | C34 | C33 | H33 | 145.5° | 54.2° |
| C35 | C34 | C33 | H33A | 24.0° | 174.1° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C34 | C36 | H36 | 171.1° | 180.0° |
| C35 | C34 | C36 | H36A | 69.0° | 60.0° |
| C35 | C34 | C36 | H36B | 51.0° | 60.0° |
| C36 | C34 | C33 | H33 | 23.1° | 65.9° |
| C36 | C34 | C33 | H33A | 98.4° | 54.0° |
| C36 | C34 | C35 | H35 | 11.4° | 63.9° |
| C36 | C34 | C35 | H35A | 131.4° | 176.1° |
| C36 | C34 | C35 | H35B | 108.6° | 56.1° |
| C34 | C36 | H36 | H36A | 120.0° | 120.0° |
| C34 | C36 | H36 | H36B | 120.0° | 120.0° |
| C34 | C36 | H36A | H36B | 120.0° | 119.9° |
| N38 | C39 | C40 | C44 | 123.6° | 120.0° |
| N38 | C39 | C40 | H39 | 118.8° | 120.0° |
| N38 | C39 | C44 | H39 | 118.6° | 120.0° |
| N38 | C39 | C40 | C41 | 70.3° | 64.7° |
| N38 | C39 | C44 | O45 | 3.2° | 0.0° |
| N38 | C39 | C44 | N46 | 176.7° | 180.0° |
| N38 | C39 | C40 | H40 | 169.7° | 55.3° |
| N38 | C39 | C40 | H40A | 48.3° | 175.3° |
| C40 | C39 | C44 | H39 | 120.6° | 120.0° |
| C39 | C40 | C41 | H40 | 120.0° | 120.0° |
| C39 | C40 | C41 | H40A | 118.6° | 120.0° |
| C39 | C40 | C41 | O42 | 61.0° | 175.4° |
| C39 | C40 | C41 | O43 | 119.8° | 4.6° |
| C40 | C39 | C44 | O45 | 117.6° | 120.0° |
| C40 | C39 | C44 | N46 | 62.5° | 60.0° |
| C40 | C39 | N38 | HN38 | 109.8° | 22.5° |
| C39 | C40 | H40 | H40A | 118.7° | 120.0° |
| C44 | C39 | C40 | C41 | 53.3° | 175.3° |
| C39 | C44 | O45 | N46 | 179.9° | 180.0° |
| C39 | C44 | N46 | C47 | 179.5° | 180.0° |
| C44 | C39 | N38 | HN38 | 12.0° | 97.5° |
| C44 | C39 | C40 | H40 | 66.7° | 64.7° |
| C44 | C39 | C40 | H40A | 171.9° | 55.3° |
| C39 | C44 | N46 | HN46 | 0.5° | 0.0° |
| C40 | C41 | O42 | O43 | 179.1° | 179.9° |
| C41 | C40 | C39 | H39 | 171.0° | 55.3° |
| C41 | C40 | H40 | H40A | 118.6° | 120.0° |
| C40 | C41 | O42 | HO42 | 179.1° | 180.0° |
| O42 | C41 | C40 | H40 | 59.0° | 64.6° |
| O42 | C41 | C40 | H40A | 179.6° | 55.5° |
| O43 | C41 | C40 | H40 | 120.2° | 115.3° |
| O43 | C41 | C40 | H40A | 1.2° | 124.6° |
| O43 | C41 | O42 | HO42 | 0.0° | 0.0° |
| O45 | C44 | N46 | C47 | 0.4° | 0.0° |
| O45 | C44 | C39 | H39 | 121.8° | 120.0° |
| O45 | C44 | N46 | HN46 | 179.6° | 180.0° |
| C44 | N46 | C47 | HN46 | 180.0° | 180.0° |
| C44 | N46 | C47 | C48 | 110.4° | 85.0° |
| C44 | N46 | C47 | C54 | 129.1° | 155.0° |
| N46 | C44 | C39 | H39 | 58.1° | 60.0° |
| C44 | N46 | C47 | H47 | 11.6° | 35.0° |
| N46 | C47 | C48 | C54 | 122.7° | 120.0° |
| N46 | C47 | C48 | H47 | 119.7° | 120.0° |
| N46 | C47 | C54 | H47 | 119.7° | 120.0° |
| N46 | C47 | C48 | C49 | 167.2° | 65.4° |
| N46 | C47 | C48 | C53 | 44.8° | 54.6° |
| N46 | C47 | C54 | O55 | 169.9° | 10.0° |
| N46 | C47 | C54 | N56 | 9.7° | 170.0° |
| N46 | C47 | C48 | H48 | 73.9° | 174.7° |
| C48 | C47 | C54 | H47 | 122.0° | 120.1° |
| C47 | C48 | C49 | C53 | 123.7° | 120.0° |
| C47 | C48 | C49 | H48 | 117.5° | 120.0° |
| C47 | C48 | C53 | H48 | 117.5° | 120.0° |
| C47 | C48 | C49 | C50 | 66.6° | 180.0° |
| C47 | C48 | C53 | C52 | 66.5° | 180.0° |
| C48 | C47 | C54 | O55 | 71.7° | 110.0° |
| C48 | C47 | C54 | N56 | 108.6° | 70.1° |
| C48 | C47 | N46 | HN46 | 69.6° | 95.0° |
| C47 | C48 | C49 | H49 | 173.4° | 60.0° |
| C47 | C48 | C49 | H49A | 52.5° | 60.0° |
| C47 | C48 | C53 | H53 | 53.5° | 60.0° |
| C47 | C48 | C53 | H53A | 174.3° | 60.1° |
| C54 | C47 | C48 | C49 | 70.1° | 174.6° |
| C54 | C47 | C48 | C53 | 167.5° | 65.4° |
| C47 | C54 | O55 | N56 | 179.6° | 180.0° |
| C47 | C54 | N56 | C57 | 178.5° | 174.6° |
| C54 | C47 | N46 | HN46 | 50.9° | 25.0° |
| C54 | C47 | C48 | H48 | 48.8° | 54.7° |
| C47 | C54 | N56 | HN56 | 1.5° | 5.5° |
| C49 | C48 | C53 | H48 | 119.1° | 120.0° |
| C48 | C49 | C50 | H49 | 120.0° | 120.0° |
| C48 | C49 | C50 | H49A | 119.2° | 120.0° |
| C48 | C49 | C50 | C51 | 57.2° | 59.9° |
| C49 | C48 | C53 | C52 | 57.0° | 60.0° |
| C49 | C48 | C47 | H47 | 47.5° | 54.6° |
| C48 | C49 | H49 | H49A | 119.2° | 120.0° |
| C48 | C49 | C50 | H50 | 177.2° | 60.0° |
| C48 | C49 | C50 | H50A | 62.3° | 180.0° |
| C49 | C48 | C53 | H53 | 177.0° | 60.0° |
| C49 | C48 | C53 | H53A | 62.2° | 179.9° |
| C53 | C48 | C49 | C50 | 57.1° | 60.0° |
| C48 | C53 | C52 | C51 | 57.2° | 60.0° |
| C48 | C53 | C52 | H53 | 120.0° | 120.0° |
| C48 | C53 | C52 | H53A | 119.2° | 119.9° |
| C53 | C48 | C47 | H47 | 75.0° | 174.6° |
| C53 | C48 | C49 | H49 | 62.9° | 180.0° |
| C53 | C48 | C49 | H49A | 176.3° | 60.0° |
| C48 | C53 | C52 | H52 | 177.2° | 60.0° |
| C48 | C53 | C52 | H52A | 62.2° | 180.0° |
| C48 | C53 | H53 | H53A | 119.2° | 120.0° |
| C49 | C50 | C51 | H50 | 120.0° | 119.9° |
| C49 | C50 | C51 | H50A | 119.5° | 120.0° |
| C49 | C50 | C51 | C52 | 55.9° | 60.0° |
| C50 | C49 | C48 | H48 | 175.9° | 60.0° |
| C50 | C49 | H49 | H49A | 119.1° | 120.0° |
| C49 | C50 | H50 | H50A | 119.5° | 119.9° |
| C49 | C50 | C51 | H51 | 64.0° | 180.0° |
| C49 | C50 | C51 | H51A | 175.4° | 60.1° |
| C50 | C51 | C52 | H51 | 120.0° | 120.1° |
| C50 | C51 | C52 | H51A | 119.5° | 120.0° |
| C50 | C51 | C52 | C53 | 56.0° | 60.0° |
| C51 | C50 | C49 | H49 | 62.8° | 180.0° |
| C51 | C50 | C49 | H49A | 176.3° | 60.0° |
| C51 | C50 | H50 | H50A | 119.5° | 120.1° |
| C50 | C51 | H51 | H51A | 119.5° | 120.0° |
| C50 | C51 | C52 | H52 | 176.0° | 60.0° |
| C50 | C51 | C52 | H52A | 63.4° | 180.0° |
| C51 | C52 | C53 | H52 | 120.0° | 120.0° |
| C51 | C52 | C53 | H52A | 119.4° | 120.0° |
| C52 | C51 | C50 | H50 | 175.9° | 60.0° |
| C52 | C51 | C50 | H50A | 63.5° | 179.9° |
| C52 | C51 | H51 | H51A | 119.5° | 120.0° |
| C51 | C52 | H52 | H52A | 119.4° | 120.0° |
| C51 | C52 | C53 | H53 | 177.2° | 60.0° |
| C51 | C52 | C53 | H53A | 62.0° | 179.9° |
| C52 | C53 | C48 | H48 | 176.1° | 60.0° |
| C53 | C52 | C51 | H51 | 64.0° | 179.9° |
| C53 | C52 | C51 | H51A | 175.5° | 60.0° |
| C53 | C52 | H52 | H52A | 119.4° | 120.0° |
| C52 | C53 | H53 | H53A | 119.2° | 120.0° |
| O55 | C54 | N56 | C57 | 1.2° | 5.5° |
| O55 | C54 | C47 | H47 | 50.3° | 130.0° |
| O55 | C54 | N56 | HN56 | 178.8° | 174.5° |
| C54 | N56 | C57 | HN56 | 180.0° | 180.0° |
| C54 | N56 | C57 | C58 | 165.1° | 112.2° |
| C54 | N56 | C57 | C62 | 74.5° | 127.7° |
| N56 | C54 | C47 | H47 | 129.4° | 50.0° |
| C54 | N56 | C57 | H57 | 45.4° | 7.8° |
| N56 | C57 | C58 | C62 | 116.8° | 120.0° |
| N56 | C57 | C58 | H57 | 123.1° | 120.0° |
| N56 | C57 | C62 | H57 | 123.1° | 119.9° |
| N56 | C57 | C58 | C59 | 80.4° | 64.8° |
| N56 | C57 | C62 | O63 | 173.4° | 0.0° |
| N56 | C57 | C62 | N64 | 6.1° | 180.0° |
| N56 | C57 | C58 | H58 | 159.7° | 55.2° |
| N56 | C57 | C58 | H58A | 39.2° | 175.2° |
| C58 | C57 | C62 | H57 | 120.0° | 120.0° |
| C57 | C58 | C59 | H58 | 120.0° | 120.0° |
| C57 | C58 | C59 | H58A | 119.5° | 120.0° |
| C57 | C58 | C59 | O60 | 96.8° | 174.3° |
| C57 | C58 | C59 | O61 | 84.0° | 5.7° |
| C58 | C57 | C62 | O63 | 56.5° | 120.0° |
| C58 | C57 | C62 | N64 | 123.0° | 60.0° |
| C58 | C57 | N56 | HN56 | 14.9° | 67.7° |
| C57 | C58 | H58 | H58A | 119.5° | 120.0° |
| C62 | C57 | C58 | C59 | 36.5° | 175.2° |
| C57 | C62 | O63 | N64 | 179.5° | 180.0° |
| C57 | C62 | N64 | C65 | 177.7° | 180.0° |
| C62 | C57 | N56 | HN56 | 105.5° | 52.3° |
| C62 | C57 | C58 | H58 | 83.5° | 64.8° |
| C62 | C57 | C58 | H58A | 156.0° | 55.2° |
| C57 | C62 | N64 | HN64 | 2.3° | 0.1° |
| C58 | C59 | O60 | O61 | 179.2° | 180.0° |
| C59 | C58 | C57 | H57 | 156.6° | 55.2° |
| C59 | C58 | H58 | H58A | 119.5° | 120.0° |
| C58 | C59 | O60 | HO60 | 179.2° | 180.0° |
| O60 | C59 | C58 | H58 | 23.2° | 54.3° |
| O60 | C59 | C58 | H58A | 143.7° | 65.7° |
| O61 | C59 | C58 | H58 | 156.1° | 125.7° |
| O61 | C59 | C58 | H58A | 35.5° | 114.3° |
| O61 | C59 | O60 | HO60 | 0.0° | 0.0° |
| O63 | C62 | N64 | C65 | 2.8° | 0.0° |
| O63 | C62 | C57 | H57 | 63.5° | 119.9° |
| O63 | C62 | N64 | HN64 | 177.2° | 179.9° |
| C62 | N64 | C65 | HN64 | 180.0° | 179.9° |
| C62 | N64 | C65 | C66 | 51.1° | 85.0° |
| C62 | N64 | C65 | C69 | 167.8° | 155.0° |
| N64 | C62 | C57 | H57 | 117.0° | 60.1° |
| C62 | N64 | C65 | H65 | 69.1° | 35.0° |
| N64 | C65 | C66 | C69 | 106.0° | 120.0° |
| N64 | C65 | C66 | H65 | 128.5° | 120.0° |
| N64 | C65 | C69 | H65 | 127.3° | 120.0° |
| N64 | C65 | C66 | O67 | 142.6° | 0.0° |
| N64 | C65 | C66 | O68 | 36.4° | 180.0° |
| N64 | C65 | C69 | C70 | 134.1° | 65.0° |
| N64 | C65 | C69 | H69 | 105.9° | 55.0° |
| N64 | C65 | C69 | H69A | 26.7° | 175.0° |
| C66 | C65 | C69 | H65 | 121.2° | 120.0° |
| C65 | C66 | O67 | O68 | 178.9° | 180.0° |
| C66 | C65 | C69 | C70 | 22.7° | 175.0° |
| C66 | C65 | N64 | HN64 | 128.9° | 95.1° |
| C65 | C66 | O68 | HO68 | 178.9° | 180.0° |
| C66 | C65 | C69 | H69 | 142.7° | 65.0° |
| C66 | C65 | C69 | H69A | 84.8° | 55.0° |
| C69 | C65 | C66 | O67 | 111.3° | 120.0° |
| C69 | C65 | C66 | O68 | 69.6° | 60.0° |
| C65 | C69 | C70 | H69 | 120.0° | 120.0° |
| C65 | C69 | C70 | H69A | 107.5° | 120.1° |
| C65 | C69 | C70 | C71 | 3.1° | 90.0° |
| C65 | C69 | C70 | C75 | 177.4° | 90.3° |
| C69 | C65 | N64 | HN64 | 12.2° | 24.9° |
| C65 | C69 | H69 | H69A | 111.0° | 120.0° |
| O67 | C66 | C65 | H65 | 14.1° | 120.0° |
| O67 | C66 | O68 | HO68 | 0.0° | 0.0° |
| O68 | C66 | C65 | H65 | 164.9° | 60.0° |
| C69 | C70 | C71 | C75 | 179.5° | 179.8° |
| C69 | C70 | C71 | C72 | 179.7° | 180.0° |
| C69 | C70 | C75 | C74 | 179.6° | 179.8° |
| C70 | C69 | C65 | H65 | 98.5° | 55.0° |
| C70 | C69 | H69 | H69A | 111.0° | 119.9° |
| C69 | C70 | C71 | H71 | 0.3° | 0.0° |
| C69 | C70 | C75 | H75 | 0.4° | 0.1° |
| C70 | C71 | C72 | H71 | 180.0° | 180.0° |
| C70 | C71 | C72 | C73 | 0.2° | 0.1° |
| C71 | C70 | C75 | C74 | 0.1° | 0.5° |
| C71 | C70 | C69 | H69 | 116.9° | 30.0° |
| C71 | C70 | C69 | H69A | 110.5° | 150.0° |
| C70 | C71 | C72 | H72 | 179.8° | 180.0° |
| C71 | C70 | C75 | H75 | 179.9° | 179.7° |
| C75 | C70 | C71 | C72 | 0.2° | 0.3° |
| C70 | C75 | C74 | C73 | 0.0° | 0.4° |
| C70 | C75 | C74 | H75 | 180.0° | 179.9° |
| C75 | C70 | C69 | H69 | 62.6° | 149.7° |
| C75 | C70 | C69 | H69A | 70.0° | 29.8° |
| C75 | C70 | C71 | H71 | 179.8° | 179.8° |
| C70 | C75 | C74 | H74 | 180.0° | 179.7° |
| C71 | C72 | C73 | H72 | 180.0° | 179.9° |
| C71 | C72 | C73 | C74 | 0.1° | 0.1° |
| C71 | C72 | C73 | H73 | 179.9° | 180.0° |
| C72 | C73 | C74 | H73 | 180.0° | 179.9° |
| C72 | C73 | C74 | C75 | 0.0° | 0.2° |
| C73 | C72 | C71 | H71 | 179.8° | 180.0° |
| C72 | C73 | C74 | H74 | 180.0° | 179.9° |
| C73 | C74 | C75 | H74 | 180.0° | 179.9° |
| C74 | C73 | C72 | H72 | 179.9° | 180.0° |
| C73 | C74 | C75 | H75 | 180.0° | 179.7° |
| C75 | C74 | C73 | H73 | 180.0° | 179.8° |
| H3 | C3 | C4 | H4 | 166.5° | 173.3° |
| H3A | C3 | C4 | H4 | 75.0° | 66.7° |
| H6 | C6 | C7 | H7 | 0.0° | 0.1° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| H8 | C8 | C16 | H16 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H18 | C18 | N37 | HN37 | 143.6° | 178.7° |
| H18A | C18 | N37 | HN37 | 22.5° | 58.7° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| H26 | C26 | C27 | H27 | 0.2° | 0.1° |
| H29 | C29 | H29A | H29B | 120.0° | 120.1° |
| H32 | C32 | C33 | H33 | 172.7° | 61.4° |
| H32 | C32 | C33 | H33A | 51.2° | 178.6° |
| H32 | C32 | N37 | HN37 | 53.4° | 156.0° |
| H33 | C33 | C34 | H34 | 95.9° | 174.1° |
| H33A | C33 | C34 | H34 | 142.6° | 66.0° |
| H34 | C34 | C35 | H35 | 130.4° | 56.1° |
| H34 | C34 | C35 | H35A | 109.6° | 63.9° |
| H34 | C34 | C35 | H35B | 10.4° | 176.1° |
| H34 | C34 | C36 | H36 | 52.3° | 60.0° |
| H34 | C34 | C36 | H36A | 172.3° | 60.0° |
| H34 | C34 | C36 | H36B | 67.7° | 180.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| HN38 | N38 | C39 | H39 | 129.5° | 142.5° |
| H39 | C39 | C40 | H40 | 51.0° | 175.3° |
| H39 | C39 | C40 | H40A | 70.5° | 64.7° |
| HN46 | N46 | C47 | H47 | 168.4° | 145.0° |
| H47 | C47 | C48 | H48 | 166.4° | 65.3° |
| H48 | C48 | C49 | H49 | 55.9° | 60.0° |
| H48 | C48 | C49 | H49A | 65.0° | 180.0° |
| H48 | C48 | C53 | H53 | 63.9° | 180.0° |
| H48 | C48 | C53 | H53A | 56.9° | 60.0° |
| H49 | C49 | C50 | H50 | 57.2° | 60.0° |
| H49 | C49 | C50 | H50A | 177.7° | 60.0° |
| H49A | C49 | C50 | H50 | 63.7° | 180.0° |
| H49A | C49 | C50 | H50A | 56.9° | 60.0° |
| H50 | C50 | C51 | H51 | 56.0° | 60.1° |
| H50 | C50 | C51 | H51A | 64.5° | 180.0° |
| H50A | C50 | C51 | H51 | 176.5° | 60.0° |
| H50A | C50 | C51 | H51A | 56.0° | 59.9° |
| H51 | C51 | C52 | H52 | 56.0° | 60.0° |
| H51 | C51 | C52 | H52A | 176.6° | 59.9° |
| H51A | C51 | C52 | H52 | 64.5° | 179.9° |
| H51A | C51 | C52 | H52A | 56.1° | 60.0° |
| H52 | C52 | C53 | H53 | 62.8° | 180.0° |
| H52 | C52 | C53 | H53A | 58.0° | 59.9° |
| H52A | C52 | C53 | H53 | 57.8° | 60.0° |
| H52A | C52 | C53 | H53A | 178.6° | 60.1° |
| HN56 | N56 | C57 | H57 | 134.6° | 172.3° |
| H57 | C57 | C58 | H58 | 36.6° | 175.2° |
| H57 | C57 | C58 | H58A | 83.9° | 64.8° |
| HN64 | N64 | C65 | H65 | 110.9° | 145.0° |
| H65 | C65 | C69 | H69 | 21.5° | 175.0° |
| H65 | C65 | C69 | H69A | 154.0° | 65.0° |
| H71 | C71 | C72 | H72 | 0.2° | 0.0° |
| H72 | C72 | C73 | H73 | 0.1° | 0.1° |
| H73 | C73 | C74 | H74 | 0.0° | 0.0° |
| H74 | C74 | C75 | H75 | 0.0° | 0.1° |
