A1JH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C71 | C72 | sing | 1.53Å | 1.47Å | |
| C71 | C37 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | N12 | sing | 1.48Å | 1.46Å | |
| C14 | C8 | sing | 1.54Å | 1.52Å | |
| C72 | C37 | sing | 1.53Å | 1.53Å | |
| C33 | N12 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C8 | N9 | sing | 1.48Å | 1.46Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| N12 | C11 | sing | 1.40Å | 1.50Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | sing | 1.51Å | 1.53Å | |
| O40 | C38 | doub | 1.21Å | 1.22Å | |
| N6 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C5 | sing | 1.33Å | 1.35Å | Aromatic |
| C38 | N39 | sing | 1.35Å | 1.34Å | |
| C36 | O70 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| N9 | C5 | sing | 1.38Å | 1.46Å | |
| N9 | C10 | sing | 1.45Å | 1.51Å | |
| C45 | C42 | sing | 1.53Å | 1.53Å | |
| C5 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| N39 | C41 | sing | 1.47Å | 1.45Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C46 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C3 | C7 | sing | 1.49Å | 1.48Å | |
| N32 | C30 | trip | 1.14Å | 1.14Å | |
| C52 | N47 | sing | 1.47Å | 1.47Å | |
| C52 | C51 | sing | 1.55Å | 1.52Å | |
| C43 | N47 | sing | 1.35Å | 1.34Å | |
| C43 | O48 | doub | 1.21Å | 1.22Å | |
| C7 | N19 | sing | 1.35Å | 1.37Å | Aromatic |
| C7 | N16 | doub | 1.31Å | 1.31Å | Aromatic |
| C30 | C27 | sing | 1.43Å | 1.43Å | |
| O53 | C51 | sing | 1.43Å | 1.43Å | |
| N47 | C49 | sing | 1.47Å | 1.47Å | |
| N19 | C18 | doub | 1.31Å | 1.28Å | Aromatic |
| C51 | C50 | sing | 1.55Å | 1.52Å | |
| N16 | O17 | sing | 1.21Å | 1.42Å | Aromatic |
| N31 | C28 | sing | 1.38Å | 1.34Å | |
| C27 | C28 | doub | 1.37Å | 1.39Å | Aromatic |
| C27 | C21 | sing | 1.45Å | 1.42Å | Aromatic |
| C18 | O17 | sing | 1.34Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C28 | S29 | sing | 1.70Å | 1.73Å | Aromatic |
| C49 | C50 | sing | 1.54Å | 1.53Å | |
| C49 | C54 | sing | 1.51Å | 1.52Å | |
| C26 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.52Å | 1.54Å | |
| C20 | C25 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | doub | 1.34Å | 1.35Å | Aromatic |
| C54 | O56 | doub | 1.21Å | 1.23Å | |
| C54 | N55 | sing | 1.35Å | 1.33Å | |
| S29 | C22 | sing | 1.76Å | 1.73Å | Aromatic |
| C22 | C23 | sing | 1.52Å | 1.49Å | |
| N55 | C57 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C57 | C58 | sing | 1.51Å | 1.51Å | |
| C58 | C59 | doub | 1.38Å | 1.39Å | Aromatic |
| C58 | C63 | sing | 1.38Å | 1.39Å | Aromatic |
| C59 | C60 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | C61 | doub | 1.40Å | 1.39Å | Aromatic |
| C63 | C62 | doub | 1.38Å | 1.38Å | Aromatic |
| C62 | C61 | sing | 1.39Å | 1.39Å | Aromatic |
| C61 | C64 | sing | 1.48Å | 1.48Å | |
| S68 | C64 | sing | 1.76Å | 1.73Å | Aromatic |
| S68 | C67 | sing | 1.71Å | 1.72Å | Aromatic |
| C64 | C65 | doub | 1.35Å | 1.37Å | Aromatic |
| C67 | N66 | doub | 1.29Å | 1.30Å | Aromatic |
| C65 | C69 | sing | 1.51Å | 1.49Å | |
| C65 | N66 | sing | 1.32Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C49 | H38 | sing | 1.09Å | 1.10Å | |
| C50 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C51 | H41 | sing | 1.09Å | 1.10Å | |
| C52 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | H43 | sing | 1.09Å | 1.10Å | |
| C57 | H44 | sing | 1.09Å | 1.10Å | |
| C57 | H45 | sing | 1.09Å | 1.10Å | |
| C59 | H46 | sing | 1.08Å | 1.08Å | |
| C60 | H47 | sing | 1.08Å | 1.08Å | |
| C62 | H48 | sing | 1.08Å | 1.08Å | |
| C63 | H49 | sing | 1.08Å | 1.08Å | |
| C67 | H50 | sing | 1.08Å | 1.08Å | |
| C69 | H51 | sing | 1.09Å | 1.10Å | |
| C69 | H52 | sing | 1.09Å | 1.10Å | |
| C69 | H53 | sing | 1.09Å | 1.10Å | |
| C71 | H54 | sing | 1.09Å | 1.10Å | |
| C71 | H55 | sing | 1.09Å | 1.10Å | |
| C72 | H56 | sing | 1.09Å | 1.10Å | |
| C72 | H57 | sing | 1.09Å | 1.10Å | |
| C8 | H58 | sing | 1.09Å | 1.10Å | |
| C8 | H59 | sing | 1.09Å | 1.10Å | |
| N31 | H61 | sing | 0.97Å | 1.00Å | |
| N31 | H62 | sing | 0.97Å | 1.00Å | |
| N39 | H63 | sing | 0.97Å | 1.00Å | |
| N55 | H64 | sing | 0.97Å | 1.00Å | |
| O53 | H65 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C72 | C71 | C37 | 61.3° | 60.0° |
| C71 | C72 | C37 | 61.2° | 60.0° |
| C72 | C71 | H54 | 119.8° | 117.4° |
| C72 | C71 | H55 | 119.8° | 117.5° |
| C71 | C72 | H56 | 119.8° | 117.5° |
| C71 | C72 | H57 | 119.8° | 117.5° |
| C71 | C37 | C72 | 57.6° | 60.0° |
| C71 | C37 | C38 | 118.3° | 117.5° |
| C71 | C37 | C36 | 117.1° | 117.5° |
| C37 | C71 | H54 | 119.8° | 117.5° |
| C37 | C71 | H55 | 119.8° | 117.5° |
| C14 | C13 | N12 | 117.6° | 108.5° |
| C13 | C14 | C8 | 114.5° | 112.2° |
| C14 | C13 | H5 | 107.4° | 109.6° |
| C14 | C13 | H6 | 107.4° | 109.6° |
| C13 | C14 | H7 | 108.2° | 109.0° |
| C13 | C14 | H8 | 108.2° | 109.0° |
| C13 | N12 | C33 | 110.8° | 111.0° |
| C13 | N12 | C11 | 111.9° | 114.1° |
| N12 | C13 | H5 | 107.4° | 109.6° |
| N12 | C13 | H6 | 107.4° | 109.7° |
| C14 | C8 | N9 | 113.1° | 112.4° |
| C8 | C14 | H7 | 108.2° | 108.8° |
| C8 | C14 | H8 | 108.2° | 108.9° |
| C14 | C8 | H58 | 108.5° | 108.9° |
| C14 | C8 | H59 | 108.6° | 108.9° |
| C72 | C37 | C38 | 110.3° | 117.5° |
| C72 | C37 | C36 | 112.7° | 117.5° |
| C37 | C72 | H56 | 119.8° | 117.5° |
| C37 | C72 | H57 | 119.8° | 117.5° |
| N12 | C33 | C34 | 114.3° | 109.4° |
| C33 | N12 | C11 | 111.7° | 111.0° |
| N12 | C33 | H22 | 108.2° | 109.5° |
| N12 | C33 | H23 | 108.3° | 109.5° |
| C33 | C34 | C35 | 112.1° | 109.4° |
| C34 | C33 | H22 | 108.3° | 109.4° |
| C34 | C33 | H23 | 108.3° | 109.5° |
| C33 | C34 | H24 | 108.8° | 109.4° |
| C33 | C34 | H25 | 108.8° | 109.4° |
| C8 | N9 | C5 | 117.6° | 111.0° |
| C8 | N9 | C10 | 121.7° | 113.9° |
| N9 | C8 | H58 | 108.6° | 109.0° |
| N9 | C8 | H59 | 108.6° | 108.8° |
| C34 | C35 | C36 | 113.8° | 109.4° |
| C35 | C34 | H24 | 108.8° | 109.5° |
| C35 | C34 | H25 | 108.8° | 109.5° |
| C34 | C35 | H26 | 108.4° | 109.5° |
| C34 | C35 | H27 | 108.4° | 109.4° |
| C35 | C36 | C37 | 118.5° | 120.0° |
| C35 | C36 | O70 | 121.5° | 120.0° |
| C36 | C35 | H26 | 108.4° | 109.5° |
| C36 | C35 | H27 | 108.4° | 109.5° |
| N12 | C11 | C10 | 112.6° | 112.1° |
| N12 | C11 | H3 | 108.7° | 109.0° |
| N12 | C11 | H4 | 108.7° | 108.9° |
| C38 | C37 | C36 | 122.0° | 115.5° |
| C37 | C38 | O40 | 121.1° | 120.0° |
| C37 | C38 | N39 | 115.5° | 120.0° |
| C37 | C36 | O70 | 120.0° | 120.0° |
| O40 | C38 | N39 | 123.3° | 120.0° |
| C1 | N6 | C5 | 115.2° | 121.0° |
| N6 | C1 | C2 | 123.5° | 119.3° |
| N6 | C1 | H1 | 118.2° | 120.4° |
| N6 | C5 | N9 | 116.2° | 119.2° |
| N6 | C5 | N4 | 126.6° | 121.7° |
| C38 | N39 | C41 | 123.6° | 120.0° |
| C38 | N39 | H63 | 118.2° | 120.0° |
| C1 | C2 | C3 | 116.4° | 118.4° |
| C2 | C1 | H1 | 118.2° | 120.4° |
| C1 | C2 | H12 | 121.8° | 120.8° |
| C11 | C10 | N9 | 108.7° | 109.0° |
| C11 | C10 | C15 | 108.6° | 109.6° |
| C11 | C10 | H2 | 110.1° | 109.5° |
| C10 | C11 | H3 | 108.7° | 108.9° |
| C10 | C11 | H4 | 108.7° | 108.9° |
| C5 | N9 | C10 | 119.3° | 111.0° |
| N9 | C5 | N4 | 117.3° | 119.2° |
| N9 | C10 | C15 | 109.1° | 109.6° |
| N9 | C10 | H2 | 110.2° | 109.6° |
| C45 | C42 | C41 | 109.2° | 109.5° |
| C45 | C42 | C46 | 108.8° | 109.5° |
| C45 | C42 | C44 | 108.9° | 109.5° |
| C42 | C45 | H32 | 109.5° | 109.5° |
| C42 | C45 | H33 | 109.5° | 109.5° |
| C42 | C45 | H34 | 109.5° | 109.5° |
| C5 | N4 | C3 | 115.8° | 120.6° |
| N39 | C41 | C42 | 111.5° | 109.4° |
| N39 | C41 | C43 | 107.2° | 109.5° |
| N39 | C41 | H28 | 109.0° | 109.5° |
| C41 | N39 | H63 | 118.2° | 120.0° |
| C15 | C10 | H2 | 110.1° | 109.6° |
| C10 | C15 | H9 | 109.5° | 109.5° |
| C10 | C15 | H10 | 109.4° | 109.5° |
| C10 | C15 | H11 | 109.5° | 109.5° |
| C2 | C3 | N4 | 122.5° | 119.0° |
| C2 | C3 | C7 | 120.4° | 120.5° |
| C3 | C2 | H12 | 121.8° | 120.8° |
| N4 | C3 | C7 | 117.1° | 120.5° |
| C42 | C41 | C43 | 113.5° | 109.5° |
| C41 | C42 | C46 | 110.4° | 109.4° |
| C41 | C42 | C44 | 110.6° | 109.5° |
| C42 | C41 | H28 | 107.6° | 109.5° |
| C41 | C43 | N47 | 118.9° | 120.0° |
| C41 | C43 | O48 | 119.5° | 120.0° |
| C43 | C41 | H28 | 107.9° | 109.5° |
| C46 | C42 | C44 | 109.0° | 109.5° |
| C42 | C46 | H35 | 109.5° | 109.4° |
| C42 | C46 | H36 | 109.5° | 109.5° |
| C42 | C46 | H37 | 109.5° | 109.5° |
| C42 | C44 | H29 | 109.5° | 109.4° |
| C42 | C44 | H30 | 109.5° | 109.5° |
| C42 | C44 | H31 | 109.4° | 109.5° |
| C3 | C7 | N19 | 122.7° | 126.4° |
| C3 | C7 | N16 | 122.9° | 126.5° |
| N32 | C30 | C27 | 177.5° | 180.0° |
| N47 | C52 | C51 | 103.3° | 104.8° |
| C52 | N47 | C43 | 126.1° | 125.7° |
| C52 | N47 | C49 | 112.4° | 108.7° |
| N47 | C52 | H42 | 111.0° | 110.4° |
| N47 | C52 | H43 | 111.0° | 110.4° |
| C52 | C51 | O53 | 110.6° | 111.1° |
| C52 | C51 | C50 | 103.4° | 101.6° |
| C52 | C51 | H41 | 110.4° | 111.0° |
| C51 | C52 | H42 | 111.0° | 110.4° |
| C51 | C52 | H43 | 111.0° | 110.3° |
| N47 | C43 | O48 | 121.6° | 120.0° |
| C43 | N47 | C49 | 121.4° | 125.6° |
| N19 | C7 | N16 | 114.4° | 107.1° |
| C7 | N19 | C18 | 105.1° | 105.6° |
| C7 | N16 | O17 | 103.3° | 110.2° |
| C30 | C27 | C28 | 121.6° | 123.3° |
| C30 | C27 | C21 | 125.3° | 123.4° |
| O53 | C51 | C50 | 109.7° | 111.0° |
| O53 | C51 | H41 | 111.9° | 110.9° |
| C51 | O53 | H65 | 109.5° | 114.0° |
| N47 | C49 | C50 | 102.8° | 107.3° |
| N47 | C49 | C54 | 113.3° | 109.9° |
| N47 | C49 | H38 | 111.5° | 110.0° |
| N19 | C18 | O17 | 111.2° | 107.1° |
| N19 | C18 | C20 | 128.7° | 126.4° |
| C51 | C50 | C49 | 103.5° | 102.9° |
| C51 | C50 | H39 | 111.0° | 110.7° |
| C51 | C50 | H40 | 111.0° | 110.9° |
| C50 | C51 | H41 | 110.5° | 111.0° |
| N16 | O17 | C18 | 106.0° | 110.0° |
| N31 | C28 | C27 | 128.5° | 124.6° |
| N31 | C28 | S29 | 120.9° | 124.7° |
| C28 | N31 | H61 | 109.5° | 120.0° |
| C28 | N31 | H62 | 109.4° | 120.0° |
| C28 | C27 | C21 | 113.1° | 113.3° |
| C27 | C28 | S29 | 110.6° | 110.7° |
| C27 | C21 | C20 | 125.1° | 124.1° |
| C27 | C21 | C22 | 112.1° | 112.4° |
| O17 | C18 | C20 | 120.1° | 126.5° |
| C18 | C20 | C26 | 106.0° | 109.6° |
| C18 | C20 | C21 | 110.9° | 109.6° |
| C18 | C20 | C25 | 110.6° | 109.6° |
| C28 | S29 | C22 | 91.4° | 92.7° |
| C50 | C49 | C54 | 107.9° | 109.9° |
| C50 | C49 | H38 | 110.5° | 109.9° |
| C49 | C50 | H39 | 111.0° | 110.7° |
| C49 | C50 | H40 | 110.9° | 110.7° |
| C49 | C54 | O56 | 120.8° | 120.0° |
| C49 | C54 | N55 | 115.9° | 120.0° |
| C54 | C49 | H38 | 110.6° | 109.9° |
| C26 | C20 | C21 | 110.3° | 109.6° |
| C26 | C20 | C25 | 109.2° | 109.7° |
| C20 | C26 | H19 | 109.5° | 109.5° |
| C20 | C26 | H20 | 109.5° | 109.5° |
| C20 | C26 | H21 | 109.5° | 109.4° |
| C21 | C20 | C25 | 109.7° | 108.8° |
| C20 | C21 | C22 | 122.8° | 123.5° |
| C20 | C25 | C24 | 114.3° | 109.1° |
| C20 | C25 | H17 | 108.2° | 109.6° |
| C20 | C25 | H18 | 108.2° | 109.5° |
| C21 | C22 | S29 | 112.7° | 110.9° |
| C21 | C22 | C23 | 125.7° | 124.3° |
| O56 | C54 | N55 | 123.2° | 120.0° |
| C54 | N55 | C57 | 122.3° | 120.0° |
| C54 | N55 | H64 | 118.8° | 120.0° |
| S29 | C22 | C23 | 121.5° | 124.9° |
| C22 | C23 | C24 | 108.0° | 108.8° |
| C22 | C23 | H13 | 109.9° | 109.6° |
| C22 | C23 | H14 | 109.8° | 109.6° |
| N55 | C57 | C58 | 110.0° | 109.5° |
| N55 | C57 | H44 | 109.4° | 109.5° |
| N55 | C57 | H45 | 109.4° | 109.5° |
| C57 | N55 | H64 | 118.9° | 120.0° |
| C25 | C24 | C23 | 110.3° | 109.0° |
| C25 | C24 | H15 | 109.3° | 109.5° |
| C25 | C24 | H16 | 109.2° | 109.6° |
| C24 | C25 | H17 | 108.2° | 109.5° |
| C24 | C25 | H18 | 108.3° | 109.5° |
| C24 | C23 | H13 | 109.8° | 109.6° |
| C24 | C23 | H14 | 109.9° | 109.7° |
| C23 | C24 | H15 | 109.3° | 109.6° |
| C23 | C24 | H16 | 109.3° | 109.5° |
| C57 | C58 | C59 | 119.9° | 119.8° |
| C57 | C58 | C63 | 121.9° | 119.9° |
| C58 | C57 | H44 | 109.3° | 109.4° |
| C58 | C57 | H45 | 109.3° | 109.4° |
| C59 | C58 | C63 | 118.2° | 120.3° |
| C58 | C59 | C60 | 121.2° | 120.1° |
| C58 | C59 | H46 | 119.4° | 119.9° |
| C58 | C63 | C62 | 121.0° | 120.2° |
| C58 | C63 | H49 | 119.5° | 119.9° |
| C59 | C60 | C61 | 120.6° | 119.9° |
| C60 | C59 | H46 | 119.4° | 120.0° |
| C59 | C60 | H47 | 119.7° | 120.0° |
| C60 | C61 | C62 | 118.3° | 119.7° |
| C60 | C61 | C64 | 120.5° | 120.1° |
| C61 | C60 | H47 | 119.7° | 120.1° |
| C63 | C62 | C61 | 120.7° | 119.8° |
| C63 | C62 | H48 | 119.7° | 120.1° |
| C62 | C63 | H49 | 119.5° | 119.9° |
| C62 | C61 | C64 | 121.1° | 120.2° |
| C61 | C62 | H48 | 119.6° | 120.1° |
| C61 | C64 | S68 | 118.9° | 126.1° |
| C61 | C64 | C65 | 131.4° | 126.1° |
| C64 | S68 | C67 | 88.8° | 90.3° |
| S68 | C64 | C65 | 109.7° | 107.8° |
| S68 | C67 | N66 | 116.1° | 110.4° |
| S68 | C67 | H50 | 122.0° | 124.8° |
| C64 | C65 | C69 | 127.0° | 122.9° |
| C64 | C65 | N66 | 114.9° | 114.2° |
| C67 | N66 | C65 | 110.6° | 117.3° |
| N66 | C67 | H50 | 122.0° | 124.8° |
| C69 | C65 | N66 | 118.1° | 122.9° |
| C65 | C69 | H51 | 109.5° | 109.5° |
| C65 | C69 | H52 | 109.5° | 109.5° |
| C65 | C69 | H53 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.4° | 108.9° |
| H5 | C13 | H6 | 109.5° | 109.8° |
| H7 | C14 | H8 | 109.5° | 108.8° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.6° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.6° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.6° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.5° |
| H29 | C44 | H30 | 109.5° | 109.5° |
| H29 | C44 | H31 | 109.5° | 109.4° |
| H30 | C44 | H31 | 109.5° | 109.5° |
| H32 | C45 | H33 | 109.5° | 109.4° |
| H32 | C45 | H34 | 109.5° | 109.5° |
| H33 | C45 | H34 | 109.4° | 109.5° |
| H35 | C46 | H36 | 109.5° | 109.5° |
| H35 | C46 | H37 | 109.5° | 109.5° |
| H36 | C46 | H37 | 109.5° | 109.5° |
| H39 | C50 | H40 | 109.5° | 110.7° |
| H42 | C52 | H43 | 109.5° | 110.4° |
| H44 | C57 | H45 | 109.4° | 109.5° |
| H51 | C69 | H52 | 109.4° | 109.5° |
| H51 | C69 | H53 | 109.5° | 109.5° |
| H52 | C69 | H53 | 109.5° | 109.5° |
| H54 | C71 | H55 | 109.5° | 115.6° |
| H56 | C72 | H57 | 109.5° | 115.6° |
| H58 | C8 | H59 | 109.5° | 108.8° |
| H61 | N31 | H62 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C72 | C71 | C37 | H54 | 109.8° | 107.4° |
| C72 | C71 | C37 | H55 | 109.8° | 107.5° |
| C71 | C72 | C37 | H56 | 109.8° | 107.4° |
| C71 | C72 | C37 | H57 | 109.8° | 107.5° |
| C72 | C71 | C37 | C38 | 97.2° | 107.5° |
| C72 | C71 | C37 | C36 | 100.9° | 107.5° |
| C72 | C71 | H54 | H55 | 144.1° | 145.7° |
| C71 | C72 | H56 | H57 | 144.1° | 145.7° |
| C71 | C37 | C36 | C35 | 10.2° | 156.3° |
| C71 | C37 | C38 | C36 | 161.0° | 145.6° |
| C71 | C37 | C38 | O40 | 21.7° | 99.9° |
| C71 | C37 | C38 | N39 | 161.0° | 80.0° |
| C71 | C37 | C36 | O70 | 170.2° | 23.7° |
| C37 | C71 | H54 | H55 | 144.0° | 145.7° |
| C14 | C13 | N12 | H5 | 121.2° | 119.7° |
| C14 | C13 | N12 | H6 | 121.2° | 119.8° |
| C13 | C14 | C8 | H7 | 120.7° | 120.7° |
| C13 | C14 | C8 | H8 | 120.7° | 120.8° |
| C14 | C13 | N12 | C33 | 169.6° | 153.8° |
| C13 | C14 | C8 | N9 | 70.7° | 41.3° |
| C14 | C13 | N12 | C11 | 65.0° | 79.9° |
| C14 | C13 | H5 | H6 | 116.3° | 120.5° |
| C13 | C14 | H7 | H8 | 117.7° | 118.8° |
| C13 | C14 | C8 | H58 | 168.8° | 162.2° |
| C13 | C14 | C8 | H59 | 49.8° | 79.3° |
| N12 | C13 | C14 | C8 | 49.1° | 92.5° |
| C13 | N12 | C33 | C11 | 125.5° | 128.0° |
| C13 | N12 | C33 | C34 | 142.2° | 66.0° |
| C13 | N12 | C11 | C10 | 96.7° | 61.8° |
| C13 | N12 | C11 | H3 | 23.8° | 177.5° |
| C13 | N12 | C11 | H4 | 142.9° | 58.8° |
| N12 | C13 | H5 | H6 | 116.3° | 120.5° |
| N12 | C13 | C14 | H7 | 71.6° | 28.1° |
| N12 | C13 | C14 | H8 | 169.9° | 146.7° |
| C13 | N12 | C33 | H22 | 97.1° | 53.9° |
| C13 | N12 | C33 | H23 | 21.5° | 174.0° |
| C14 | C8 | N9 | H58 | 120.5° | 120.8° |
| C14 | C8 | N9 | H59 | 120.5° | 120.7° |
| C14 | C8 | N9 | C5 | 83.7° | 167.9° |
| C14 | C8 | N9 | C10 | 82.7° | 41.7° |
| C8 | C14 | C13 | H5 | 72.0° | 27.1° |
| C8 | C14 | C13 | H6 | 170.3° | 147.7° |
| C8 | C14 | H7 | H8 | 117.7° | 118.6° |
| C14 | C8 | H58 | H59 | 118.3° | 118.5° |
| C72 | C37 | C36 | C35 | 53.8° | 87.6° |
| C72 | C37 | C38 | C36 | 135.7° | 145.7° |
| C72 | C37 | C38 | O40 | 41.5° | 31.3° |
| C72 | C37 | C38 | N39 | 135.7° | 148.7° |
| C72 | C37 | C36 | O70 | 125.8° | 92.4° |
| C37 | C72 | H56 | H57 | 144.1° | 145.7° |
| N12 | C33 | C34 | H22 | 120.7° | 119.9° |
| N12 | C33 | C34 | H23 | 120.7° | 120.0° |
| N12 | C33 | C34 | C35 | 166.2° | 180.0° |
| C33 | N12 | C11 | C10 | 138.4° | 171.9° |
| C33 | N12 | C11 | H3 | 101.1° | 51.2° |
| C33 | N12 | C11 | H4 | 17.9° | 67.5° |
| C33 | N12 | C13 | H5 | 69.3° | 86.5° |
| C33 | N12 | C13 | H6 | 48.4° | 34.0° |
| N12 | C33 | H22 | H23 | 117.8° | 120.1° |
| N12 | C33 | C34 | H24 | 45.8° | 60.0° |
| N12 | C33 | C34 | H25 | 73.4° | 60.0° |
| C33 | C34 | C35 | H24 | 120.4° | 120.0° |
| C33 | C34 | C35 | H25 | 120.4° | 119.9° |
| C33 | C34 | C35 | C36 | 176.0° | 180.0° |
| C34 | C33 | N12 | C11 | 92.3° | 166.0° |
| C34 | C33 | H22 | H23 | 117.8° | 120.0° |
| C33 | C34 | H24 | H25 | 118.8° | 119.9° |
| C33 | C34 | C35 | H26 | 55.4° | 60.0° |
| C33 | C34 | C35 | H27 | 63.3° | 60.1° |
| C8 | N9 | C5 | N6 | 7.1° | 53.9° |
| C8 | N9 | C10 | C11 | 21.7° | 94.1° |
| C8 | N9 | C5 | C10 | 166.7° | 127.7° |
| C8 | N9 | C5 | N4 | 173.6° | 125.9° |
| C8 | N9 | C10 | C15 | 96.6° | 145.9° |
| C8 | N9 | C10 | H2 | 142.4° | 25.7° |
| N9 | C8 | C14 | H7 | 50.0° | 79.4° |
| N9 | C8 | C14 | H8 | 168.6° | 162.1° |
| N9 | C8 | H58 | H59 | 118.3° | 118.5° |
| C34 | C35 | C36 | H26 | 120.7° | 120.0° |
| C34 | C35 | C36 | H27 | 120.6° | 119.9° |
| C34 | C35 | C36 | C37 | 161.8° | 174.8° |
| C34 | C35 | C36 | O70 | 18.6° | 5.2° |
| C35 | C34 | C33 | H22 | 73.2° | 60.1° |
| C35 | C34 | C33 | H23 | 45.5° | 60.0° |
| C35 | C34 | H24 | H25 | 118.8° | 120.1° |
| C34 | C35 | H26 | H27 | 118.0° | 120.0° |
| C35 | C36 | C37 | C38 | 171.4° | 58.1° |
| C35 | C36 | C37 | O70 | 179.6° | 180.0° |
| C36 | C35 | C34 | H24 | 63.6° | 60.0° |
| C36 | C35 | C34 | H25 | 55.6° | 60.1° |
| C36 | C35 | H26 | H27 | 118.0° | 120.0° |
| N12 | C11 | C10 | H3 | 120.5° | 120.7° |
| N12 | C11 | C10 | H4 | 120.5° | 120.6° |
| N12 | C11 | C10 | N9 | 60.9° | 78.7° |
| N12 | C11 | C10 | C15 | 179.5° | 161.3° |
| N12 | C11 | C10 | H2 | 60.0° | 41.1° |
| N12 | C11 | H3 | H4 | 118.6° | 118.7° |
| C11 | N12 | C13 | H5 | 56.2° | 39.7° |
| C11 | N12 | C13 | H6 | 173.8° | 160.3° |
| C11 | N12 | C33 | H22 | 28.4° | 74.1° |
| C11 | N12 | C33 | H23 | 147.0° | 46.0° |
| C37 | C38 | O40 | N39 | 177.1° | 180.0° |
| C38 | C37 | C36 | O70 | 9.0° | 121.9° |
| C37 | C38 | N39 | C41 | 174.7° | 174.0° |
| C38 | C37 | C71 | H54 | 12.6° | 145.0° |
| C38 | C37 | C71 | H55 | 153.0° | 0.0° |
| C38 | C37 | C72 | H56 | 138.9° | 0.0° |
| C38 | C37 | C72 | H57 | 1.5° | 145.0° |
| C37 | C38 | N39 | H63 | 5.3° | 6.0° |
| C36 | C37 | C38 | O40 | 177.3° | 114.4° |
| C36 | C37 | C38 | N39 | 0.0° | 65.6° |
| C37 | C36 | C35 | H26 | 77.5° | 65.2° |
| C37 | C36 | C35 | H27 | 41.2° | 54.8° |
| C36 | C37 | C71 | H54 | 149.3° | 0.1° |
| C36 | C37 | C71 | H55 | 8.9° | 145.0° |
| C36 | C37 | C72 | H56 | 1.1° | 145.0° |
| C36 | C37 | C72 | H57 | 141.6° | 0.0° |
| O40 | C38 | N39 | C41 | 2.5° | 5.9° |
| O40 | C38 | N39 | H63 | 177.5° | 174.0° |
| N6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N6 | C5 | N9 | 179.6° | 179.7° |
| C1 | N6 | C5 | N4 | 0.4° | 0.6° |
| N6 | C1 | C2 | C3 | 0.2° | 0.3° |
| N6 | C1 | C2 | H12 | 179.8° | 179.7° |
| C5 | N6 | C1 | C2 | 0.2° | 0.6° |
| N6 | C5 | N9 | N4 | 179.3° | 179.7° |
| N6 | C5 | N9 | C10 | 173.8° | 73.9° |
| N6 | C5 | N4 | C3 | 0.5° | 0.2° |
| C5 | N6 | C1 | H1 | 179.8° | 179.7° |
| C38 | N39 | C41 | H63 | 180.0° | 180.0° |
| C38 | N39 | C41 | C42 | 118.7° | 85.0° |
| C38 | N39 | C41 | C43 | 116.5° | 155.0° |
| C38 | N39 | C41 | H28 | 0.1° | 35.0° |
| O70 | C36 | C35 | H26 | 102.0° | 114.8° |
| O70 | C36 | C35 | H27 | 139.2° | 125.1° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C7 | 179.8° | 180.0° |
| C11 | C10 | N9 | C5 | 144.5° | 139.7° |
| C11 | C10 | N9 | C15 | 118.3° | 119.9° |
| C11 | C10 | N9 | H2 | 120.7° | 119.8° |
| C11 | C10 | C15 | H2 | 120.5° | 120.2° |
| C10 | C11 | H3 | H4 | 118.5° | 118.7° |
| C11 | C10 | C15 | H9 | 180.0° | 53.7° |
| C11 | C10 | C15 | H10 | 60.0° | 173.7° |
| C11 | C10 | C15 | H11 | 60.0° | 66.3° |
| C5 | N9 | C10 | C15 | 97.2° | 19.8° |
| N9 | C5 | N4 | C3 | 179.7° | 180.0° |
| C5 | N9 | C10 | H2 | 23.8° | 100.4° |
| C5 | N9 | C8 | H58 | 36.8° | 47.0° |
| C5 | N9 | C8 | H59 | 155.7° | 71.5° |
| C10 | N9 | C5 | N4 | 6.9° | 106.4° |
| N9 | C10 | C15 | H2 | 121.1° | 120.2° |
| N9 | C10 | C11 | H3 | 59.6° | 160.6° |
| N9 | C10 | C11 | H4 | 178.7° | 41.9° |
| N9 | C10 | C15 | H9 | 61.6° | 173.2° |
| N9 | C10 | C15 | H10 | 58.4° | 66.8° |
| N9 | C10 | C15 | H11 | 178.4° | 53.2° |
| C10 | N9 | C8 | H58 | 156.8° | 79.1° |
| C10 | N9 | C8 | H59 | 37.9° | 162.4° |
| C45 | C42 | C41 | N39 | 63.4° | 54.3° |
| C45 | C42 | C41 | C46 | 119.6° | 120.0° |
| C45 | C42 | C41 | C44 | 119.8° | 120.0° |
| C45 | C42 | C41 | C43 | 175.4° | 65.7° |
| C45 | C42 | C46 | C44 | 118.6° | 120.0° |
| C45 | C42 | C41 | H28 | 56.1° | 174.3° |
| C45 | C42 | C44 | H29 | 180.0° | 60.1° |
| C45 | C42 | C44 | H30 | 60.0° | 60.0° |
| C45 | C42 | C44 | H31 | 60.0° | 180.0° |
| C42 | C45 | H32 | H33 | 120.0° | 120.0° |
| C42 | C45 | H32 | H34 | 120.0° | 120.0° |
| C42 | C45 | H33 | H34 | 120.0° | 120.0° |
| C45 | C42 | C46 | H35 | 180.0° | 173.2° |
| C45 | C42 | C46 | H36 | 60.0° | 53.2° |
| C45 | C42 | C46 | H37 | 60.0° | 66.9° |
| C5 | N4 | C3 | C2 | 0.4° | 0.0° |
| C5 | N4 | C3 | C7 | 179.9° | 180.0° |
| N39 | C41 | C42 | C43 | 121.2° | 120.0° |
| N39 | C41 | C42 | H28 | 119.5° | 120.0° |
| N39 | C41 | C43 | H28 | 117.2° | 120.0° |
| N39 | C41 | C42 | C46 | 56.2° | 174.2° |
| N39 | C41 | C42 | C44 | 176.8° | 65.8° |
| N39 | C41 | C43 | N47 | 133.5° | 144.6° |
| N39 | C41 | C43 | O48 | 47.6° | 35.4° |
| C15 | C10 | C11 | H3 | 59.0° | 40.6° |
| C15 | C10 | C11 | H4 | 60.0° | 78.1° |
| C10 | C15 | H9 | H10 | 120.0° | 120.1° |
| C10 | C15 | H9 | H11 | 120.0° | 120.0° |
| C10 | C15 | H10 | H11 | 120.0° | 120.0° |
| C2 | C3 | N4 | C7 | 179.5° | 180.0° |
| C2 | C3 | C7 | N19 | 8.8° | 0.0° |
| C2 | C3 | C7 | N16 | 171.6° | 179.7° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| N4 | C3 | C7 | N19 | 170.8° | 180.0° |
| N4 | C3 | C7 | N16 | 8.8° | 0.3° |
| N4 | C3 | C2 | H12 | 179.7° | 180.0° |
| C42 | C41 | C43 | H28 | 119.2° | 120.0° |
| C41 | C42 | C46 | C44 | 121.6° | 120.0° |
| C42 | C41 | C43 | N47 | 102.9° | 95.5° |
| C42 | C41 | C43 | O48 | 75.9° | 84.6° |
| C41 | C42 | C44 | H29 | 60.1° | 60.0° |
| C41 | C42 | C44 | H30 | 60.0° | 180.0° |
| C41 | C42 | C44 | H31 | 180.0° | 60.0° |
| C41 | C42 | C45 | H32 | 180.0° | 60.0° |
| C41 | C42 | C45 | H33 | 60.0° | 180.0° |
| C41 | C42 | C45 | H34 | 60.0° | 60.0° |
| C41 | C42 | C46 | H35 | 60.2° | 66.8° |
| C41 | C42 | C46 | H36 | 179.7° | 173.2° |
| C41 | C42 | C46 | H37 | 59.8° | 53.1° |
| C42 | C41 | N39 | H63 | 61.3° | 95.0° |
| C43 | C41 | C42 | C46 | 65.0° | 54.3° |
| C43 | C41 | C42 | C44 | 55.7° | 174.3° |
| C41 | C43 | N47 | C52 | 2.8° | 4.0° |
| C41 | C43 | N47 | O48 | 178.9° | 179.9° |
| C41 | C43 | N47 | C49 | 179.0° | 176.0° |
| C43 | C41 | N39 | H63 | 63.5° | 25.0° |
| C46 | C42 | C41 | H28 | 175.6° | 65.8° |
| C46 | C42 | C44 | H29 | 61.4° | 180.0° |
| C46 | C42 | C44 | H30 | 178.6° | 60.0° |
| C46 | C42 | C44 | H31 | 58.6° | 60.0° |
| C46 | C42 | C45 | H32 | 59.5° | 60.0° |
| C46 | C42 | C45 | H33 | 179.5° | 60.0° |
| C46 | C42 | C45 | H34 | 60.5° | 180.0° |
| C42 | C46 | H35 | H36 | 120.0° | 120.0° |
| C42 | C46 | H35 | H37 | 120.0° | 120.0° |
| C42 | C46 | H36 | H37 | 120.0° | 120.0° |
| C44 | C42 | C41 | H28 | 63.7° | 54.2° |
| C42 | C44 | H29 | H30 | 120.0° | 120.0° |
| C42 | C44 | H29 | H31 | 120.0° | 119.9° |
| C42 | C44 | H30 | H31 | 120.0° | 120.0° |
| C44 | C42 | C45 | H32 | 59.2° | 180.0° |
| C44 | C42 | C45 | H33 | 60.8° | 60.0° |
| C44 | C42 | C45 | H34 | 179.2° | 60.0° |
| C44 | C42 | C46 | H35 | 61.4° | 53.2° |
| C44 | C42 | C46 | H36 | 58.6° | 66.8° |
| C44 | C42 | C46 | H37 | 178.6° | 173.2° |
| C3 | C7 | N19 | N16 | 179.6° | 179.7° |
| C3 | C7 | N19 | C18 | 179.6° | 180.0° |
| C3 | C7 | N16 | O17 | 179.8° | 179.8° |
| C7 | C3 | C2 | H12 | 0.2° | 0.0° |
| N32 | C30 | C27 | C28 | 174.0° | 96.4° |
| N32 | C30 | C27 | C21 | 6.2° | 83.6° |
| N47 | C52 | C51 | H42 | 119.0° | 118.9° |
| N47 | C52 | C51 | H43 | 119.0° | 118.8° |
| C52 | N47 | C43 | C49 | 176.2° | 180.0° |
| C52 | N47 | C43 | O48 | 178.4° | 176.1° |
| N47 | C52 | C51 | O53 | 86.6° | 155.1° |
| N47 | C52 | C51 | C50 | 30.8° | 37.0° |
| C52 | N47 | C49 | C50 | 12.2° | 1.0° |
| C52 | N47 | C49 | C54 | 128.3° | 120.4° |
| C52 | N47 | C49 | H38 | 106.2° | 118.5° |
| N47 | C52 | C51 | H41 | 149.0° | 81.1° |
| N47 | C52 | H42 | H43 | 122.9° | 122.3° |
| C51 | C52 | N47 | C43 | 164.9° | 155.9° |
| C52 | C51 | O53 | C50 | 113.4° | 112.3° |
| C52 | C51 | O53 | H41 | 123.6° | 123.9° |
| C51 | C52 | N47 | C49 | 11.6° | 24.1° |
| C52 | C51 | C50 | H41 | 118.1° | 118.1° |
| C52 | C51 | C50 | C49 | 38.7° | 35.5° |
| C52 | C51 | C50 | H39 | 157.7° | 153.8° |
| C52 | C51 | C50 | H40 | 80.3° | 82.9° |
| C51 | C52 | H42 | H43 | 122.8° | 122.2° |
| C52 | C51 | O53 | H65 | 180.0° | 67.8° |
| C43 | N47 | C49 | C50 | 171.1° | 178.9° |
| C43 | N47 | C49 | C54 | 55.0° | 59.6° |
| N47 | C43 | C41 | H28 | 16.3° | 24.5° |
| C43 | N47 | C49 | H38 | 70.5° | 61.6° |
| C43 | N47 | C52 | H42 | 45.9° | 37.0° |
| C43 | N47 | C52 | H43 | 76.1° | 85.3° |
| O48 | C43 | N47 | C49 | 2.1° | 3.9° |
| O48 | C43 | C41 | H28 | 164.9° | 155.4° |
| N19 | C7 | N16 | O17 | 0.1° | 0.5° |
| C7 | N19 | C18 | O17 | 0.1° | 0.0° |
| C7 | N19 | C18 | C20 | 179.5° | 179.7° |
| N16 | C7 | N19 | C18 | 0.0° | 0.2° |
| C7 | N16 | O17 | C18 | 0.2° | 0.5° |
| C30 | C27 | C28 | N31 | 0.1° | 0.0° |
| C30 | C27 | C28 | C21 | 179.9° | 180.0° |
| C30 | C27 | C28 | S29 | 179.9° | 180.0° |
| C30 | C27 | C21 | C20 | 0.5° | 0.0° |
| C30 | C27 | C21 | C22 | 179.6° | 180.0° |
| O53 | C51 | C50 | H41 | 123.8° | 123.8° |
| O53 | C51 | C50 | C49 | 79.3° | 153.6° |
| O53 | C51 | C50 | H39 | 39.7° | 88.1° |
| O53 | C51 | C50 | H40 | 161.6° | 35.2° |
| O53 | C51 | C52 | H42 | 32.4° | 86.0° |
| O53 | C51 | C52 | H43 | 154.4° | 36.3° |
| N47 | C49 | C50 | C51 | 31.1° | 22.2° |
| N47 | C49 | C50 | C54 | 119.9° | 119.4° |
| N47 | C49 | C50 | H38 | 119.1° | 119.6° |
| N47 | C49 | C54 | H38 | 126.0° | 121.2° |
| N47 | C49 | C54 | O56 | 35.4° | 0.8° |
| N47 | C49 | C54 | N55 | 146.5° | 179.2° |
| N47 | C49 | C50 | H39 | 150.2° | 140.5° |
| N47 | C49 | C50 | H40 | 87.9° | 96.4° |
| C49 | N47 | C52 | H42 | 130.6° | 143.0° |
| C49 | N47 | C52 | H43 | 107.4° | 94.7° |
| N19 | C18 | O17 | N16 | 0.2° | 0.3° |
| N19 | C18 | O17 | C20 | 179.4° | 179.7° |
| N19 | C18 | C20 | C26 | 2.0° | 60.6° |
| N19 | C18 | C20 | C21 | 121.7° | 59.7° |
| N19 | C18 | C20 | C25 | 116.3° | 179.0° |
| C51 | C50 | C49 | H39 | 119.0° | 118.4° |
| C51 | C50 | C49 | H40 | 119.0° | 118.5° |
| C51 | C50 | C49 | C54 | 151.0° | 97.2° |
| C51 | C50 | C49 | H38 | 88.0° | 141.8° |
| C51 | C50 | H39 | H40 | 122.8° | 123.4° |
| C50 | C51 | C52 | H42 | 149.8° | 155.9° |
| C50 | C51 | C52 | H43 | 88.2° | 81.8° |
| C50 | C51 | O53 | H65 | 66.6° | 179.9° |
| N16 | O17 | C18 | C20 | 179.7° | 180.0° |
| N31 | C28 | C27 | S29 | 180.0° | 180.0° |
| N31 | C28 | C27 | C21 | 180.0° | 180.0° |
| N31 | C28 | S29 | C22 | 179.6° | 179.9° |
| C28 | N31 | H61 | H62 | 120.0° | 180.0° |
| C28 | C27 | C21 | C20 | 179.6° | 180.0° |
| C28 | C27 | C21 | C22 | 0.6° | 0.0° |
| C27 | C28 | S29 | C22 | 0.4° | 0.0° |
| C27 | C28 | N31 | H61 | 180.0° | 0.0° |
| C27 | C28 | N31 | H62 | 60.0° | 180.0° |
| C27 | C21 | C20 | C18 | 60.0° | 43.1° |
| C21 | C27 | C28 | S29 | 0.0° | 0.0° |
| C27 | C21 | C20 | C26 | 57.1° | 77.2° |
| C27 | C21 | C20 | C22 | 179.0° | 180.0° |
| C27 | C21 | C20 | C25 | 177.5° | 162.9° |
| C27 | C21 | C22 | S29 | 0.9° | 0.0° |
| C27 | C21 | C22 | C23 | 178.8° | 180.0° |
| O17 | C18 | C20 | C26 | 177.3° | 119.7° |
| O17 | C18 | C20 | C21 | 57.6° | 119.9° |
| O17 | C18 | C20 | C25 | 64.4° | 0.6° |
| C18 | C20 | C26 | C21 | 120.1° | 120.3° |
| C18 | C20 | C26 | C25 | 119.2° | 120.3° |
| C18 | C20 | C21 | C25 | 122.5° | 119.8° |
| C18 | C20 | C21 | C22 | 121.1° | 136.9° |
| C18 | C20 | C25 | C24 | 89.9° | 170.4° |
| C18 | C20 | C25 | H17 | 149.4° | 69.7° |
| C18 | C20 | C25 | H18 | 30.8° | 50.6° |
| C18 | C20 | C26 | H19 | 180.0° | 60.0° |
| C18 | C20 | C26 | H20 | 60.0° | 180.0° |
| C18 | C20 | C26 | H21 | 60.0° | 60.0° |
| C28 | S29 | C22 | C21 | 0.8° | 0.0° |
| C28 | S29 | C22 | C23 | 178.7° | 180.0° |
| S29 | C28 | N31 | H61 | 0.0° | 180.0° |
| S29 | C28 | N31 | H62 | 120.0° | 0.0° |
| C50 | C49 | C54 | H38 | 120.9° | 121.0° |
| C50 | C49 | C54 | O56 | 77.7° | 118.6° |
| C50 | C49 | C54 | N55 | 100.5° | 61.5° |
| C49 | C50 | H39 | H40 | 122.8° | 123.1° |
| C49 | C50 | C51 | H41 | 156.8° | 82.6° |
| C49 | C54 | O56 | N55 | 178.1° | 180.0° |
| C49 | C54 | N55 | C57 | 177.7° | 180.0° |
| C54 | C49 | C50 | H39 | 89.9° | 21.1° |
| C54 | C49 | C50 | H40 | 32.0° | 144.2° |
| C49 | C54 | N55 | H64 | 2.3° | 0.0° |
| C26 | C20 | C21 | C25 | 120.4° | 119.9° |
| C26 | C20 | C21 | C22 | 121.8° | 102.8° |
| C26 | C20 | C25 | C24 | 153.8° | 69.3° |
| C26 | C20 | C25 | H17 | 33.1° | 50.6° |
| C26 | C20 | C25 | H18 | 85.5° | 170.9° |
| C20 | C26 | H19 | H20 | 120.0° | 120.1° |
| C20 | C26 | H19 | H21 | 120.0° | 120.0° |
| C20 | C26 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | S29 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 2.2° | 0.0° |
| C21 | C20 | C25 | C24 | 32.8° | 50.6° |
| C21 | C20 | C25 | H17 | 87.9° | 170.5° |
| C21 | C20 | C25 | H18 | 153.5° | 69.3° |
| C21 | C20 | C26 | H19 | 59.9° | 179.7° |
| C21 | C20 | C26 | H20 | 60.1° | 59.7° |
| C21 | C20 | C26 | H21 | 179.9° | 60.3° |
| C25 | C20 | C21 | C22 | 1.5° | 17.1° |
| C20 | C25 | C24 | H17 | 120.7° | 119.9° |
| C20 | C25 | C24 | H18 | 120.7° | 119.8° |
| C20 | C25 | C24 | C23 | 61.9° | 70.3° |
| C20 | C25 | C24 | H15 | 177.9° | 169.8° |
| C20 | C25 | C24 | H16 | 58.2° | 49.6° |
| C20 | C25 | H17 | H18 | 117.8° | 120.2° |
| C25 | C20 | C26 | H19 | 60.8° | 60.3° |
| C25 | C20 | C26 | H20 | 179.2° | 59.7° |
| C25 | C20 | C26 | H21 | 59.2° | 179.7° |
| C21 | C22 | S29 | C23 | 178.0° | 180.0° |
| C21 | C22 | C23 | C24 | 24.8° | 16.7° |
| C21 | C22 | C23 | H13 | 144.5° | 103.1° |
| C21 | C22 | C23 | H14 | 95.0° | 136.6° |
| O56 | C54 | N55 | C57 | 0.4° | 0.0° |
| O56 | C54 | C49 | H38 | 161.3° | 120.4° |
| O56 | C54 | N55 | H64 | 179.6° | 180.0° |
| C54 | N55 | C57 | H64 | 180.0° | 180.0° |
| C54 | N55 | C57 | C58 | 96.1° | 180.0° |
| N55 | C54 | C49 | H38 | 20.5° | 59.5° |
| C54 | N55 | C57 | H44 | 24.0° | 60.0° |
| C54 | N55 | C57 | H45 | 143.8° | 60.1° |
| S29 | C22 | C23 | C24 | 152.9° | 163.3° |
| S29 | C22 | C23 | H13 | 33.1° | 76.9° |
| S29 | C22 | C23 | H14 | 87.3° | 43.4° |
| C22 | C23 | C24 | C25 | 54.3° | 50.1° |
| C22 | C23 | C24 | H13 | 119.8° | 119.8° |
| C22 | C23 | C24 | H14 | 119.8° | 119.8° |
| C22 | C23 | H13 | H14 | 120.7° | 120.3° |
| C22 | C23 | C24 | H15 | 174.4° | 169.9° |
| C22 | C23 | C24 | H16 | 65.9° | 69.9° |
| N55 | C57 | C58 | H44 | 120.1° | 120.0° |
| N55 | C57 | C58 | H45 | 120.1° | 120.0° |
| N55 | C57 | C58 | C59 | 26.6° | 90.0° |
| N55 | C57 | C58 | C63 | 152.6° | 90.3° |
| N55 | C57 | H44 | H45 | 119.8° | 120.0° |
| C25 | C24 | C23 | H15 | 120.1° | 119.9° |
| C25 | C24 | C23 | H16 | 120.1° | 120.0° |
| C25 | C24 | C23 | H13 | 174.0° | 69.8° |
| C25 | C24 | C23 | H14 | 65.5° | 169.9° |
| C25 | C24 | H15 | H16 | 119.6° | 120.3° |
| C24 | C25 | H17 | H18 | 117.8° | 120.2° |
| C24 | C23 | H13 | H14 | 120.7° | 120.4° |
| C23 | C24 | H15 | H16 | 119.6° | 120.2° |
| C23 | C24 | C25 | H17 | 58.7° | 169.7° |
| C23 | C24 | C25 | H18 | 177.4° | 49.5° |
| C57 | C58 | C59 | C63 | 179.2° | 179.7° |
| C57 | C58 | C59 | C60 | 179.5° | 180.0° |
| C57 | C58 | C63 | C62 | 179.6° | 179.8° |
| C58 | C57 | H44 | H45 | 119.8° | 119.9° |
| C57 | C58 | C59 | H46 | 0.5° | 0.1° |
| C57 | C58 | C63 | H49 | 0.4° | 0.0° |
| C58 | C57 | N55 | H64 | 83.9° | 0.0° |
| C58 | C59 | C60 | H46 | 180.0° | 179.9° |
| C58 | C59 | C60 | C61 | 0.5° | 0.0° |
| C59 | C58 | C63 | C62 | 0.5° | 0.5° |
| C59 | C58 | C57 | H44 | 146.6° | 150.0° |
| C59 | C58 | C57 | H45 | 93.5° | 30.0° |
| C58 | C59 | C60 | H47 | 179.5° | 180.0° |
| C59 | C58 | C63 | H49 | 179.5° | 179.7° |
| C63 | C58 | C59 | C60 | 0.3° | 0.3° |
| C58 | C63 | C62 | H49 | 180.0° | 179.8° |
| C58 | C63 | C62 | C61 | 0.2° | 0.5° |
| C63 | C58 | C57 | H44 | 32.5° | 29.8° |
| C63 | C58 | C57 | H45 | 87.3° | 149.7° |
| C63 | C58 | C59 | H46 | 179.7° | 179.8° |
| C58 | C63 | C62 | H48 | 179.8° | 179.7° |
| C59 | C60 | C61 | H47 | 180.0° | 180.0° |
| C59 | C60 | C61 | C62 | 1.1° | 0.0° |
| C59 | C60 | C61 | C64 | 179.8° | 180.0° |
| C60 | C61 | C62 | C63 | 1.0° | 0.2° |
| C60 | C61 | C62 | C64 | 178.6° | 180.0° |
| C60 | C61 | C64 | S68 | 45.7° | 51.1° |
| C60 | C61 | C64 | C65 | 134.4° | 129.2° |
| C61 | C60 | C59 | H46 | 179.5° | 180.0° |
| C60 | C61 | C62 | H48 | 179.0° | 179.9° |
| C63 | C62 | C61 | H48 | 180.0° | 179.8° |
| C63 | C62 | C61 | C64 | 179.6° | 179.8° |
| C62 | C61 | C64 | S68 | 132.9° | 128.9° |
| C62 | C61 | C64 | C65 | 47.1° | 50.8° |
| C62 | C61 | C60 | H47 | 178.9° | 180.0° |
| C61 | C62 | C63 | H49 | 179.8° | 179.7° |
| C61 | C64 | S68 | C65 | 179.9° | 179.7° |
| C61 | C64 | S68 | C67 | 179.8° | 180.0° |
| C61 | C64 | C65 | C69 | 0.4° | 0.0° |
| C61 | C64 | C65 | N66 | 179.9° | 180.0° |
| C64 | C61 | C60 | H47 | 0.3° | 0.0° |
| C64 | C61 | C62 | H48 | 0.4° | 0.0° |
| C64 | S68 | C67 | N66 | 0.3° | 0.3° |
| S68 | C64 | C65 | C69 | 179.7° | 179.8° |
| S68 | C64 | C65 | N66 | 0.2° | 0.2° |
| C64 | S68 | C67 | H50 | 179.7° | 179.9° |
| C67 | S68 | C64 | C65 | 0.2° | 0.3° |
| S68 | C67 | N66 | H50 | 180.0° | 179.8° |
| S68 | C67 | N66 | C65 | 0.3° | 0.2° |
| C64 | C65 | N66 | C67 | 0.1° | 0.0° |
| C64 | C65 | C69 | N66 | 179.5° | 180.0° |
| C64 | C65 | C69 | H51 | 179.5° | 84.8° |
| C64 | C65 | C69 | H52 | 60.5° | 155.2° |
| C64 | C65 | C69 | H53 | 59.5° | 35.2° |
| C67 | N66 | C65 | C69 | 179.5° | 180.0° |
| C65 | C69 | H51 | H52 | 120.0° | 120.0° |
| C65 | C69 | H51 | H53 | 120.0° | 120.0° |
| C65 | C69 | H52 | H53 | 120.0° | 120.0° |
| C65 | N66 | C67 | H50 | 179.7° | 180.0° |
| N66 | C65 | C69 | H51 | 0.0° | 95.2° |
| N66 | C65 | C69 | H52 | 120.0° | 24.8° |
| N66 | C65 | C69 | H53 | 120.0° | 144.8° |
| H1 | C1 | C2 | H12 | 0.2° | 0.0° |
| H2 | C10 | C11 | H3 | 179.5° | 79.6° |
| H2 | C10 | C11 | H4 | 60.5° | 161.7° |
| H2 | C10 | C15 | H9 | 59.5° | 66.6° |
| H2 | C10 | C15 | H10 | 179.5° | 53.5° |
| H2 | C10 | C15 | H11 | 60.5° | 173.5° |
| H5 | C13 | C14 | H7 | 167.3° | 147.7° |
| H5 | C13 | C14 | H8 | 48.7° | 93.6° |
| H6 | C13 | C14 | H7 | 49.6° | 91.7° |
| H6 | C13 | C14 | H8 | 68.9° | 27.0° |
| H7 | C14 | C8 | H58 | 70.5° | 41.5° |
| H7 | C14 | C8 | H59 | 170.6° | 160.0° |
| H8 | C14 | C8 | H58 | 48.0° | 77.0° |
| H8 | C14 | C8 | H59 | 70.9° | 41.5° |
| H9 | C15 | H10 | H11 | 120.0° | 119.9° |
| H13 | C23 | C24 | H15 | 65.8° | 50.1° |
| H13 | C23 | C24 | H16 | 53.9° | 170.3° |
| H14 | C23 | C24 | H15 | 54.6° | 70.2° |
| H14 | C23 | C24 | H16 | 174.4° | 49.9° |
| H15 | C24 | C25 | H17 | 61.4° | 49.9° |
| H15 | C24 | C25 | H18 | 57.2° | 70.4° |
| H16 | C24 | C25 | H17 | 178.9° | 70.3° |
| H16 | C24 | C25 | H18 | 62.5° | 169.4° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C33 | C34 | H24 | 166.5° | 60.0° |
| H22 | C33 | C34 | H25 | 47.2° | 180.0° |
| H23 | C33 | C34 | H24 | 74.9° | 180.0° |
| H23 | C33 | C34 | H25 | 165.9° | 60.0° |
| H24 | C34 | C35 | H26 | 175.7° | 179.9° |
| H24 | C34 | C35 | H27 | 57.0° | 59.9° |
| H25 | C34 | C35 | H26 | 65.0° | 60.0° |
| H25 | C34 | C35 | H27 | 176.2° | 180.0° |
| H28 | C41 | N39 | H63 | 180.0° | 145.0° |
| H29 | C44 | H30 | H31 | 120.0° | 120.0° |
| H32 | C45 | H33 | H34 | 120.0° | 120.0° |
| H35 | C46 | H36 | H37 | 120.0° | 120.0° |
| H38 | C49 | C50 | H39 | 31.1° | 99.8° |
| H38 | C49 | C50 | H40 | 153.0° | 23.3° |
| H39 | C50 | C51 | H41 | 84.1° | 35.7° |
| H40 | C50 | C51 | H41 | 37.8° | 159.0° |
| H41 | C51 | C52 | H42 | 92.0° | 37.8° |
| H41 | C51 | C52 | H43 | 30.0° | 160.1° |
| H41 | C51 | O53 | H65 | 56.4° | 56.1° |
| H44 | C57 | N55 | H64 | 156.0° | 120.0° |
| H45 | C57 | N55 | H64 | 36.1° | 120.0° |
| H46 | C59 | C60 | H47 | 0.5° | 0.1° |
| H48 | C62 | C63 | H49 | 0.2° | 0.1° |
| H51 | C69 | H52 | H53 | 120.0° | 120.0° |
| H54 | C71 | C72 | H56 | 140.4° | 145.0° |
| H54 | C71 | C72 | H57 | 0.0° | 0.0° |
| H55 | C71 | C72 | H56 | 0.0° | 0.0° |
| H55 | C71 | C72 | H57 | 140.4° | 145.0° |
