063
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C18 | sing | 1.53Å | 1.54Å | |
| O3 | C28 | doub | 1.21Å | 1.22Å | |
| C28 | C26 | sing | 1.51Å | 1.51Å | |
| C28 | N2 | sing | 1.35Å | 1.37Å | |
| C18 | C26 | sing | 1.53Å | 1.54Å | |
| C18 | N1 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| S5 | C29 | sing | 1.71Å | 1.73Å | Aromatic |
| S5 | C31 | sing | 1.76Å | 1.71Å | Aromatic |
| N1 | C17 | sing | 1.47Å | 1.50Å | |
| C22 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| O6 | C23 | sing | 1.36Å | 1.38Å | |
| O6 | C32 | sing | 1.36Å | 1.41Å | |
| N2 | C29 | sing | 1.39Å | 1.39Å | |
| C37 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C31 | C30 | doub | 1.33Å | 1.37Å | Aromatic |
| F8 | C36 | sing | 1.35Å | 1.35Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C30 | sing | 1.32Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | O7 | sing | 1.36Å | 1.40Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C38 | sing | 1.48Å | 1.48Å | |
| O7 | C39 | sing | 1.43Å | 1.42Å | |
| C38 | C42 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | C46 | sing | 1.40Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.37Å | 1.39Å | Aromatic |
| C46 | C45 | doub | 1.37Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | doub | 1.40Å | 1.39Å | Aromatic |
| C41 | O9 | sing | 1.43Å | 1.43Å | |
| C41 | C48 | sing | 1.53Å | 1.52Å | |
| O9 | C40 | sing | 1.43Å | 1.43Å | |
| C45 | C44 | sing | 1.40Å | 1.38Å | Aromatic |
| C66 | C64 | sing | 1.53Å | 1.51Å | |
| C44 | C47 | sing | 1.48Å | 1.50Å | |
| C67 | C64 | sing | 1.53Å | 1.52Å | |
| C48 | N49 | sing | 1.47Å | 1.45Å | |
| C47 | O10 | doub | 1.22Å | 1.26Å | |
| C47 | O11 | sing | 1.35Å | 1.26Å | |
| C64 | C65 | sing | 1.53Å | 1.51Å | |
| C64 | O63 | sing | 1.43Å | 1.44Å | |
| O76 | C75 | doub | 1.22Å | 1.23Å | |
| O12 | C50 | doub | 1.21Å | 1.22Å | |
| C72 | C71 | sing | 1.53Å | 1.52Å | |
| C73 | C71 | sing | 1.53Å | 1.52Å | |
| N49 | C50 | sing | 1.35Å | 1.38Å | |
| C50 | C51 | sing | 1.51Å | 1.51Å | |
| O63 | C68 | sing | 1.35Å | 1.37Å | |
| C75 | O70 | sing | 1.35Å | 1.38Å | |
| C75 | N16 | sing | 1.35Å | 1.38Å | |
| C71 | O70 | sing | 1.45Å | 1.45Å | |
| C71 | C74 | sing | 1.53Å | 1.50Å | |
| C51 | N16 | sing | 1.46Å | 1.45Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C68 | N14 | sing | 1.34Å | 1.39Å | |
| C68 | O69 | doub | 1.22Å | 1.23Å | |
| N14 | C55 | doub | 1.32Å | 1.38Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| N13 | C55 | sing | 1.36Å | 1.38Å | |
| N13 | C54 | sing | 1.46Å | 1.45Å | |
| C55 | N15 | sing | 1.37Å | 1.30Å | |
| N15 | C61 | sing | 1.35Å | 1.37Å | |
| C61 | O56 | sing | 1.35Å | 1.38Å | |
| C61 | O62 | doub | 1.21Å | 1.22Å | |
| O56 | C57 | sing | 1.45Å | 1.44Å | |
| C59 | C57 | sing | 1.53Å | 1.51Å | |
| C60 | C57 | sing | 1.53Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| O11 | H4 | sing | 0.97Å | 0.95Å | |
| N13 | H5 | sing | 0.97Å | 1.00Å | |
| N15 | H6 | sing | 0.97Å | 1.00Å | |
| N16 | H7 | sing | 0.97Å | 1.00Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H30 | sing | 1.08Å | 1.08Å | |
| C43 | H31 | sing | 1.08Å | 1.08Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| C46 | H33 | sing | 1.08Å | 1.08Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C48 | H35 | sing | 1.09Å | 1.10Å | |
| N49 | H36 | sing | 0.97Å | 1.00Å | |
| C51 | H37 | sing | 1.09Å | 1.10Å | |
| C52 | H38 | sing | 1.09Å | 1.10Å | |
| C52 | H39 | sing | 1.09Å | 1.10Å | |
| C53 | H40 | sing | 1.09Å | 1.10Å | |
| C53 | H41 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C58 | H44 | sing | 1.09Å | 1.10Å | |
| C58 | H45 | sing | 1.09Å | 1.10Å | |
| C58 | H46 | sing | 1.09Å | 1.10Å | |
| C59 | H47 | sing | 1.09Å | 1.10Å | |
| C59 | H48 | sing | 1.09Å | 1.10Å | |
| C59 | H49 | sing | 1.09Å | 1.10Å | |
| C60 | H50 | sing | 1.09Å | 1.10Å | |
| C60 | H51 | sing | 1.09Å | 1.10Å | |
| C60 | H52 | sing | 1.09Å | 1.10Å | |
| C65 | H53 | sing | 1.09Å | 1.10Å | |
| C65 | H54 | sing | 1.09Å | 1.10Å | |
| C65 | H55 | sing | 1.09Å | 1.10Å | |
| C66 | H56 | sing | 1.09Å | 1.10Å | |
| C66 | H57 | sing | 1.09Å | 1.10Å | |
| C66 | H58 | sing | 1.09Å | 1.10Å | |
| C67 | H59 | sing | 1.09Å | 1.10Å | |
| C67 | H60 | sing | 1.09Å | 1.10Å | |
| C67 | H61 | sing | 1.09Å | 1.10Å | |
| C72 | H62 | sing | 1.09Å | 1.10Å | |
| C72 | H63 | sing | 1.09Å | 1.10Å | |
| C72 | H64 | sing | 1.09Å | 1.10Å | |
| C73 | H65 | sing | 1.09Å | 1.10Å | |
| C73 | H66 | sing | 1.09Å | 1.10Å | |
| C73 | H67 | sing | 1.09Å | 1.10Å | |
| C74 | H68 | sing | 1.09Å | 1.10Å | |
| C74 | H69 | sing | 1.09Å | 1.10Å | |
| C74 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C18 | C26 | 111.7° | 109.3° |
| C27 | C18 | N1 | 105.0° | 109.3° |
| C27 | C18 | C19 | 111.0° | 109.2° |
| C18 | C27 | H16 | 109.5° | 109.5° |
| C18 | C27 | H17 | 109.5° | 109.5° |
| C18 | C27 | H18 | 109.5° | 109.5° |
| O3 | C28 | C26 | 123.2° | 120.0° |
| O3 | C28 | N2 | 125.7° | 120.0° |
| C26 | C28 | N2 | 111.0° | 120.0° |
| C28 | C26 | C18 | 115.0° | 109.5° |
| C28 | C26 | H14 | 108.1° | 109.5° |
| C28 | C26 | H15 | 108.1° | 109.5° |
| C28 | N2 | C29 | 123.8° | 120.0° |
| C28 | N2 | H3 | 118.1° | 120.0° |
| C26 | C18 | N1 | 104.9° | 109.3° |
| C26 | C18 | C19 | 112.5° | 109.3° |
| C18 | C26 | H14 | 108.1° | 109.4° |
| C18 | C26 | H15 | 108.1° | 109.5° |
| N1 | C18 | C19 | 111.3° | 110.5° |
| C18 | N1 | C17 | 117.1° | 110.2° |
| C18 | N1 | H1 | 107.5° | 111.0° |
| C18 | C19 | C22 | 118.5° | 118.3° |
| C18 | C19 | C20 | 122.2° | 121.8° |
| C29 | S5 | C31 | 88.5° | 90.3° |
| S5 | C29 | N2 | 122.1° | 124.9° |
| S5 | C29 | N4 | 115.5° | 110.1° |
| S5 | C31 | C30 | 111.0° | 108.0° |
| S5 | C31 | H20 | 124.5° | 125.9° |
| N1 | C17 | C21 | 111.8° | 108.5° |
| C17 | N1 | H1 | 107.5° | 111.0° |
| N1 | C17 | H8 | 108.9° | 109.6° |
| N1 | C17 | H9 | 108.9° | 109.6° |
| C19 | C22 | C23 | 119.6° | 120.4° |
| C22 | C19 | C20 | 119.3° | 119.9° |
| C19 | C22 | H12 | 120.2° | 119.8° |
| C22 | C23 | O6 | 115.7° | 120.1° |
| C22 | C23 | C24 | 121.5° | 119.7° |
| C23 | C22 | H12 | 120.2° | 119.8° |
| C19 | C20 | C21 | 122.7° | 121.6° |
| C19 | C20 | C25 | 120.7° | 120.0° |
| C23 | O6 | C32 | 118.3° | 118.0° |
| O6 | C23 | C24 | 122.8° | 120.1° |
| O6 | C32 | C37 | 115.9° | 119.9° |
| O6 | C32 | C33 | 123.7° | 119.9° |
| N2 | C29 | N4 | 122.3° | 125.0° |
| C29 | N2 | H3 | 118.1° | 120.1° |
| C32 | C37 | C36 | 118.5° | 120.0° |
| C37 | C32 | C33 | 120.4° | 120.2° |
| C32 | C37 | H23 | 120.8° | 120.0° |
| C37 | C36 | F8 | 115.5° | 120.1° |
| C37 | C36 | C35 | 122.4° | 119.9° |
| C36 | C37 | H23 | 120.8° | 120.0° |
| C29 | N4 | C30 | 110.3° | 116.9° |
| C31 | C30 | N4 | 114.7° | 114.6° |
| C31 | C30 | H19 | 122.7° | 122.6° |
| C30 | C31 | H20 | 124.5° | 126.0° |
| F8 | C36 | C35 | 122.1° | 120.1° |
| C23 | C24 | C25 | 119.4° | 119.6° |
| C23 | C24 | O7 | 114.8° | 120.2° |
| C32 | C33 | C34 | 120.1° | 120.1° |
| C32 | C33 | H21 | 120.0° | 120.0° |
| C17 | C21 | C20 | 113.0° | 110.0° |
| C21 | C17 | H8 | 108.9° | 109.7° |
| C21 | C17 | H9 | 108.9° | 109.6° |
| C17 | C21 | H10 | 108.6° | 109.3° |
| C17 | C21 | H11 | 108.6° | 109.4° |
| C36 | C35 | C34 | 117.8° | 119.9° |
| C36 | C35 | C38 | 124.5° | 120.1° |
| C21 | C20 | C25 | 116.6° | 118.4° |
| C20 | C21 | H10 | 108.6° | 109.4° |
| C20 | C21 | H11 | 108.6° | 109.4° |
| C20 | C25 | C24 | 119.5° | 120.4° |
| C20 | C25 | H13 | 120.2° | 119.8° |
| N4 | C30 | H19 | 122.6° | 122.8° |
| C25 | C24 | O7 | 125.8° | 120.2° |
| C24 | C25 | H13 | 120.3° | 119.8° |
| C24 | O7 | C39 | 117.1° | 117.1° |
| C33 | C34 | C35 | 120.6° | 119.9° |
| C34 | C33 | H21 | 120.0° | 119.9° |
| C33 | C34 | H22 | 119.7° | 120.0° |
| C34 | C35 | C38 | 117.7° | 120.0° |
| C35 | C34 | H22 | 119.7° | 120.0° |
| C35 | C38 | C42 | 121.5° | 119.9° |
| C35 | C38 | C46 | 120.4° | 120.0° |
| O7 | C39 | C40 | 106.7° | 109.5° |
| O7 | C39 | H24 | 110.2° | 109.4° |
| O7 | C39 | H25 | 110.2° | 109.4° |
| C42 | C38 | C46 | 118.1° | 120.1° |
| C38 | C42 | C43 | 121.1° | 120.0° |
| C38 | C42 | H30 | 119.4° | 120.0° |
| C38 | C46 | C45 | 121.1° | 120.0° |
| C38 | C46 | H33 | 119.5° | 120.0° |
| C42 | C43 | C44 | 120.3° | 120.0° |
| C43 | C42 | H30 | 119.4° | 120.0° |
| C42 | C43 | H31 | 119.8° | 120.0° |
| C46 | C45 | C44 | 120.4° | 120.0° |
| C46 | C45 | H32 | 119.8° | 120.0° |
| C45 | C46 | H33 | 119.4° | 120.0° |
| C39 | C40 | O9 | 111.4° | 109.5° |
| C40 | C39 | H24 | 110.1° | 109.5° |
| C40 | C39 | H25 | 110.1° | 109.5° |
| C39 | C40 | H26 | 109.0° | 109.5° |
| C39 | C40 | H27 | 109.0° | 109.5° |
| C43 | C44 | C45 | 119.1° | 120.0° |
| C43 | C44 | C47 | 119.6° | 120.1° |
| C44 | C43 | H31 | 119.9° | 120.0° |
| O9 | C41 | C48 | 114.2° | 109.5° |
| C41 | O9 | C40 | 110.7° | 114.0° |
| O9 | C41 | H28 | 108.3° | 109.5° |
| O9 | C41 | H29 | 108.3° | 109.4° |
| C41 | C48 | N49 | 115.0° | 109.5° |
| C48 | C41 | H28 | 108.3° | 109.4° |
| C48 | C41 | H29 | 108.3° | 109.5° |
| C41 | C48 | H34 | 108.1° | 109.5° |
| C41 | C48 | H35 | 108.1° | 109.5° |
| O9 | C40 | H26 | 109.0° | 109.4° |
| O9 | C40 | H27 | 109.0° | 109.5° |
| C45 | C44 | C47 | 121.3° | 120.0° |
| C44 | C45 | H32 | 119.8° | 120.1° |
| C66 | C64 | C67 | 107.7° | 109.5° |
| C66 | C64 | C65 | 107.3° | 109.4° |
| C66 | C64 | O63 | 106.2° | 109.5° |
| C64 | C66 | H56 | 109.5° | 109.5° |
| C64 | C66 | H57 | 109.5° | 109.5° |
| C64 | C66 | H58 | 109.5° | 109.5° |
| C44 | C47 | O10 | 116.5° | 120.0° |
| C44 | C47 | O11 | 118.1° | 120.0° |
| C67 | C64 | C65 | 110.0° | 109.5° |
| C67 | C64 | O63 | 114.3° | 109.5° |
| C64 | C67 | H59 | 109.5° | 109.4° |
| C64 | C67 | H60 | 109.5° | 109.5° |
| C64 | C67 | H61 | 109.5° | 109.5° |
| C48 | N49 | C50 | 121.5° | 120.0° |
| N49 | C48 | H34 | 108.1° | 109.4° |
| N49 | C48 | H35 | 108.1° | 109.4° |
| C48 | N49 | H36 | 119.3° | 120.0° |
| O10 | C47 | O11 | 125.5° | 120.0° |
| C47 | O11 | H4 | 109.5° | 117.0° |
| C65 | C64 | O63 | 111.0° | 109.5° |
| C64 | C65 | H53 | 109.5° | 109.5° |
| C64 | C65 | H54 | 109.5° | 109.5° |
| C64 | C65 | H55 | 109.5° | 109.5° |
| C64 | O63 | C68 | 118.5° | 117.0° |
| O76 | C75 | O70 | 127.2° | 119.9° |
| O76 | C75 | N16 | 123.9° | 120.1° |
| O12 | C50 | N49 | 124.1° | 120.0° |
| O12 | C50 | C51 | 120.2° | 120.0° |
| C72 | C71 | C73 | 112.9° | 109.5° |
| C72 | C71 | O70 | 111.0° | 109.5° |
| C72 | C71 | C74 | 108.1° | 109.5° |
| C71 | C72 | H62 | 109.5° | 109.5° |
| C71 | C72 | H63 | 109.5° | 109.5° |
| C71 | C72 | H64 | 109.5° | 109.5° |
| C73 | C71 | O70 | 114.9° | 109.5° |
| C73 | C71 | C74 | 103.2° | 109.4° |
| C71 | C73 | H65 | 109.5° | 109.5° |
| C71 | C73 | H66 | 109.5° | 109.5° |
| C71 | C73 | H67 | 109.5° | 109.4° |
| N49 | C50 | C51 | 115.7° | 120.0° |
| C50 | N49 | H36 | 119.2° | 120.0° |
| C50 | C51 | N16 | 110.2° | 109.5° |
| C50 | C51 | C52 | 112.8° | 109.5° |
| C50 | C51 | H37 | 107.0° | 109.5° |
| O63 | C68 | N14 | 111.2° | 120.0° |
| O63 | C68 | O69 | 122.9° | 120.0° |
| O70 | C75 | N16 | 109.0° | 120.0° |
| C75 | O70 | C71 | 120.3° | 117.0° |
| C75 | N16 | C51 | 119.7° | 120.0° |
| C75 | N16 | H7 | 120.2° | 120.0° |
| O70 | C71 | C74 | 105.9° | 109.5° |
| C71 | C74 | H68 | 109.5° | 109.4° |
| C71 | C74 | H69 | 109.5° | 109.5° |
| C71 | C74 | H70 | 109.5° | 109.4° |
| N16 | C51 | C52 | 111.9° | 109.5° |
| C51 | N16 | H7 | 120.1° | 120.1° |
| N16 | C51 | H37 | 107.8° | 109.4° |
| C51 | C52 | C53 | 108.9° | 109.5° |
| C52 | C51 | H37 | 106.9° | 109.5° |
| C51 | C52 | H38 | 109.6° | 109.5° |
| C51 | C52 | H39 | 109.6° | 109.5° |
| N14 | C68 | O69 | 125.9° | 120.0° |
| C68 | N14 | C55 | 123.6° | 120.0° |
| N14 | C55 | N13 | 116.1° | 120.0° |
| N14 | C55 | N15 | 116.1° | 120.0° |
| C52 | C53 | C54 | 111.9° | 109.5° |
| C53 | C52 | H38 | 109.6° | 109.5° |
| C53 | C52 | H39 | 109.6° | 109.4° |
| C52 | C53 | H40 | 108.9° | 109.5° |
| C52 | C53 | H41 | 108.8° | 109.5° |
| C53 | C54 | N13 | 109.9° | 109.5° |
| C54 | C53 | H40 | 108.8° | 109.5° |
| C54 | C53 | H41 | 108.9° | 109.4° |
| C53 | C54 | H42 | 109.4° | 109.4° |
| C53 | C54 | H43 | 109.4° | 109.5° |
| C55 | N13 | C54 | 121.8° | 120.0° |
| N13 | C55 | N15 | 127.8° | 120.0° |
| C55 | N13 | H5 | 119.1° | 120.0° |
| C54 | N13 | H5 | 119.1° | 120.1° |
| N13 | C54 | H42 | 109.4° | 109.5° |
| N13 | C54 | H43 | 109.4° | 109.5° |
| C55 | N15 | C61 | 119.7° | 120.0° |
| C55 | N15 | H6 | 120.2° | 120.0° |
| N15 | C61 | O56 | 110.6° | 120.0° |
| N15 | C61 | O62 | 122.8° | 120.0° |
| C61 | N15 | H6 | 120.1° | 120.0° |
| O56 | C61 | O62 | 126.5° | 120.0° |
| C61 | O56 | C57 | 121.0° | 117.0° |
| O56 | C57 | C59 | 113.1° | 109.5° |
| O56 | C57 | C60 | 105.9° | 109.5° |
| O56 | C57 | C58 | 113.0° | 109.5° |
| C59 | C57 | C60 | 106.9° | 109.5° |
| C59 | C57 | C58 | 110.7° | 109.5° |
| C57 | C59 | H47 | 109.5° | 109.5° |
| C57 | C59 | H48 | 109.5° | 109.4° |
| C57 | C59 | H49 | 109.5° | 109.5° |
| C60 | C57 | C58 | 106.9° | 109.5° |
| C57 | C60 | H50 | 109.5° | 109.5° |
| C57 | C60 | H51 | 109.5° | 109.5° |
| C57 | C60 | H52 | 109.5° | 109.5° |
| C57 | C58 | H44 | 109.5° | 109.5° |
| C57 | C58 | H45 | 109.5° | 109.5° |
| C57 | C58 | H46 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.8° |
| H10 | C21 | H11 | 109.5° | 109.3° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.4° | 109.5° |
| H16 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
| H24 | C39 | H25 | 109.5° | 109.5° |
| H26 | C40 | H27 | 109.5° | 109.4° |
| H28 | C41 | H29 | 109.5° | 109.5° |
| H34 | C48 | H35 | 109.4° | 109.5° |
| H38 | C52 | H39 | 109.4° | 109.5° |
| H40 | C53 | H41 | 109.5° | 109.5° |
| H42 | C54 | H43 | 109.5° | 109.5° |
| H44 | C58 | H45 | 109.5° | 109.4° |
| H44 | C58 | H46 | 109.4° | 109.5° |
| H45 | C58 | H46 | 109.5° | 109.4° |
| H47 | C59 | H48 | 109.5° | 109.5° |
| H47 | C59 | H49 | 109.5° | 109.5° |
| H48 | C59 | H49 | 109.4° | 109.5° |
| H50 | C60 | H51 | 109.5° | 109.5° |
| H50 | C60 | H52 | 109.4° | 109.5° |
| H51 | C60 | H52 | 109.5° | 109.4° |
| H53 | C65 | H54 | 109.5° | 109.5° |
| H53 | C65 | H55 | 109.5° | 109.4° |
| H54 | C65 | H55 | 109.4° | 109.4° |
| H56 | C66 | H57 | 109.5° | 109.5° |
| H56 | C66 | H58 | 109.5° | 109.4° |
| H57 | C66 | H58 | 109.5° | 109.5° |
| H59 | C67 | H60 | 109.5° | 109.4° |
| H59 | C67 | H61 | 109.4° | 109.5° |
| H60 | C67 | H61 | 109.5° | 109.5° |
| H62 | C72 | H63 | 109.4° | 109.4° |
| H62 | C72 | H64 | 109.5° | 109.5° |
| H63 | C72 | H64 | 109.5° | 109.5° |
| H65 | C73 | H66 | 109.5° | 109.5° |
| H65 | C73 | H67 | 109.5° | 109.5° |
| H66 | C73 | H67 | 109.4° | 109.4° |
| H68 | C74 | H69 | 109.4° | 109.5° |
| H68 | C74 | H70 | 109.5° | 109.5° |
| H69 | C74 | H70 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C18 | C26 | C28 | 76.4° | 59.6° |
| C27 | C18 | C26 | N1 | 113.2° | 119.6° |
| C27 | C18 | C26 | C19 | 125.5° | 119.4° |
| C27 | C18 | N1 | C19 | 120.2° | 120.2° |
| C27 | C18 | N1 | C17 | 161.4° | 67.5° |
| C27 | C18 | C19 | C22 | 49.3° | 77.3° |
| C27 | C18 | C19 | C20 | 128.6° | 102.7° |
| C27 | C18 | N1 | H1 | 40.3° | 55.8° |
| C27 | C18 | C26 | H14 | 44.4° | 60.5° |
| C27 | C18 | C26 | H15 | 162.8° | 179.6° |
| C18 | C27 | H16 | H17 | 120.0° | 120.0° |
| C18 | C27 | H16 | H18 | 120.0° | 120.0° |
| C18 | C27 | H17 | H18 | 120.0° | 120.0° |
| O3 | C28 | C26 | N2 | 176.2° | 180.0° |
| O3 | C28 | C26 | C18 | 64.7° | 0.0° |
| O3 | C28 | N2 | C29 | 5.3° | 0.0° |
| O3 | C28 | N2 | H3 | 174.6° | 180.0° |
| O3 | C28 | C26 | H14 | 56.2° | 120.0° |
| O3 | C28 | C26 | H15 | 174.5° | 120.0° |
| C28 | C26 | C18 | H14 | 120.8° | 120.0° |
| C28 | C26 | C18 | H15 | 120.8° | 120.0° |
| C28 | C26 | C18 | N1 | 170.3° | 60.0° |
| C28 | C26 | C18 | C19 | 49.1° | 179.0° |
| C26 | C28 | N2 | C29 | 170.7° | 180.0° |
| C26 | C28 | N2 | H3 | 9.3° | 0.0° |
| C28 | C26 | H14 | H15 | 117.5° | 120.1° |
| N2 | C28 | C26 | C18 | 111.5° | 180.0° |
| C28 | N2 | C29 | S5 | 7.7° | 180.0° |
| C28 | N2 | C29 | H3 | 180.0° | 180.0° |
| C28 | N2 | C29 | N4 | 173.2° | 0.0° |
| N2 | C28 | C26 | H14 | 127.6° | 60.1° |
| N2 | C28 | C26 | H15 | 9.3° | 60.0° |
| C26 | C18 | N1 | C19 | 122.0° | 120.3° |
| C26 | C18 | N1 | C17 | 80.8° | 172.9° |
| C26 | C18 | C19 | C22 | 76.6° | 42.2° |
| C26 | C18 | C19 | C20 | 105.5° | 137.9° |
| C26 | C18 | N1 | H1 | 158.1° | 63.7° |
| C18 | C26 | H14 | H15 | 117.5° | 120.0° |
| C26 | C18 | C27 | H16 | 180.0° | 60.0° |
| C26 | C18 | C27 | H17 | 60.0° | 180.0° |
| C26 | C18 | C27 | H18 | 60.0° | 60.0° |
| C18 | N1 | C17 | H1 | 121.1° | 123.3° |
| N1 | C18 | C19 | C22 | 166.0° | 162.5° |
| N1 | C18 | C19 | C20 | 12.0° | 17.6° |
| C18 | N1 | C17 | C21 | 56.7° | 71.4° |
| C18 | N1 | C17 | H8 | 177.0° | 48.4° |
| C18 | N1 | C17 | H9 | 63.7° | 168.9° |
| N1 | C18 | C26 | H14 | 68.8° | 179.9° |
| N1 | C18 | C26 | H15 | 49.5° | 60.0° |
| N1 | C18 | C27 | H16 | 66.8° | 59.6° |
| N1 | C18 | C27 | H17 | 173.2° | 60.4° |
| N1 | C18 | C27 | H18 | 53.2° | 179.6° |
| C19 | C18 | N1 | C17 | 41.2° | 52.6° |
| C18 | C19 | C22 | C20 | 178.0° | 179.9° |
| C18 | C19 | C22 | C23 | 179.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.9° | 0.4° |
| C18 | C19 | C20 | C25 | 179.6° | 179.7° |
| C19 | C18 | N1 | H1 | 79.9° | 176.0° |
| C18 | C19 | C22 | H12 | 1.0° | 0.2° |
| C19 | C18 | C26 | H14 | 170.0° | 58.9° |
| C19 | C18 | C26 | H15 | 71.7° | 61.0° |
| C19 | C18 | C27 | H16 | 53.6° | 179.5° |
| C19 | C18 | C27 | H17 | 66.4° | 60.5° |
| C19 | C18 | C27 | H18 | 173.6° | 59.5° |
| S5 | C29 | N2 | N4 | 179.0° | 180.0° |
| C29 | S5 | C31 | C30 | 1.1° | 0.0° |
| S5 | C29 | N4 | C30 | 1.3° | 0.0° |
| S5 | C29 | N2 | H3 | 172.3° | 0.0° |
| C29 | S5 | C31 | H20 | 178.9° | 180.0° |
| C31 | S5 | C29 | N2 | 177.7° | 180.0° |
| C31 | S5 | C29 | N4 | 1.5° | 0.0° |
| S5 | C31 | C30 | H20 | 180.0° | 180.0° |
| S5 | C31 | C30 | N4 | 0.6° | 0.0° |
| S5 | C31 | C30 | H19 | 179.4° | 180.0° |
| N1 | C17 | C21 | H8 | 120.3° | 119.7° |
| N1 | C17 | C21 | H9 | 120.4° | 119.7° |
| N1 | C17 | C21 | C20 | 39.6° | 50.4° |
| N1 | C17 | H8 | H9 | 118.9° | 120.5° |
| N1 | C17 | C21 | H10 | 80.9° | 170.5° |
| N1 | C17 | C21 | H11 | 160.1° | 69.8° |
| C19 | C22 | C23 | H12 | 180.0° | 180.0° |
| C19 | C22 | C23 | O6 | 178.9° | 179.9° |
| C19 | C22 | C23 | C24 | 2.8° | 0.0° |
| C22 | C19 | C20 | C21 | 178.8° | 179.6° |
| C22 | C19 | C20 | C25 | 1.6° | 0.2° |
| C23 | C22 | C19 | C20 | 2.9° | 0.1° |
| C22 | C23 | O6 | C24 | 176.1° | 179.9° |
| C22 | C23 | O6 | C32 | 115.6° | 4.7° |
| C22 | C23 | C24 | C25 | 1.2° | 0.0° |
| C22 | C23 | C24 | O7 | 178.6° | 179.9° |
| C19 | C20 | C21 | C17 | 13.3° | 16.9° |
| C19 | C20 | C21 | C25 | 179.6° | 179.8° |
| C19 | C20 | C25 | C24 | 0.0° | 0.2° |
| C19 | C20 | C21 | H10 | 107.3° | 136.9° |
| C19 | C20 | C21 | H11 | 133.8° | 103.3° |
| C20 | C19 | C22 | H12 | 177.1° | 179.9° |
| C19 | C20 | C25 | H13 | 180.0° | 179.8° |
| C23 | O6 | C32 | C37 | 179.3° | 104.7° |
| C23 | O6 | C32 | C33 | 1.9° | 75.6° |
| O6 | C23 | C24 | C25 | 177.1° | 179.9° |
| O6 | C23 | C24 | O7 | 2.7° | 0.1° |
| O6 | C23 | C22 | H12 | 1.1° | 0.1° |
| O6 | C32 | C37 | C33 | 177.4° | 179.7° |
| O6 | C32 | C37 | C36 | 178.5° | 179.8° |
| C32 | O6 | C23 | C24 | 68.3° | 175.2° |
| O6 | C32 | C33 | C34 | 178.8° | 180.0° |
| O6 | C32 | C33 | H21 | 1.2° | 0.0° |
| O6 | C32 | C37 | H23 | 1.5° | 0.0° |
| N2 | C29 | N4 | C30 | 177.8° | 180.0° |
| C32 | C37 | C36 | H23 | 180.0° | 179.7° |
| C32 | C37 | C36 | F8 | 178.2° | 179.7° |
| C32 | C37 | C36 | C35 | 3.7° | 0.5° |
| C37 | C32 | C33 | C34 | 4.0° | 0.3° |
| C37 | C32 | C33 | H21 | 176.0° | 179.7° |
| C37 | C36 | F8 | C35 | 178.1° | 179.7° |
| C36 | C37 | C32 | C33 | 1.0° | 0.5° |
| C37 | C36 | C35 | C34 | 5.3° | 0.3° |
| C37 | C36 | C35 | C38 | 172.2° | 179.8° |
| C29 | N4 | C30 | C31 | 0.4° | 0.0° |
| N4 | C29 | N2 | H3 | 6.8° | 180.0° |
| C29 | N4 | C30 | H19 | 179.6° | 180.0° |
| C31 | C30 | N4 | H19 | 180.0° | 180.0° |
| F8 | C36 | C35 | C34 | 176.7° | 180.0° |
| F8 | C36 | C35 | C38 | 5.8° | 0.0° |
| F8 | C36 | C37 | H23 | 1.8° | 0.0° |
| C23 | C24 | C25 | C20 | 0.2° | 0.1° |
| C23 | C24 | C25 | O7 | 179.7° | 180.0° |
| C23 | C24 | O7 | C39 | 174.7° | 180.0° |
| C24 | C23 | C22 | H12 | 177.2° | 180.0° |
| C23 | C24 | C25 | H13 | 179.8° | 180.0° |
| C32 | C33 | C34 | H21 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 2.3° | 0.1° |
| C32 | C33 | C34 | H22 | 177.7° | 180.0° |
| C33 | C32 | C37 | H23 | 178.9° | 179.8° |
| C17 | C21 | C20 | H10 | 120.5° | 120.1° |
| C17 | C21 | C20 | H11 | 120.5° | 120.2° |
| C17 | C21 | C20 | C25 | 166.3° | 163.3° |
| C21 | C17 | N1 | H1 | 64.4° | 165.3° |
| C21 | C17 | H8 | H9 | 118.9° | 120.5° |
| C17 | C21 | H10 | H11 | 118.4° | 119.8° |
| C36 | C35 | C34 | C33 | 2.3° | 0.1° |
| C36 | C35 | C34 | C38 | 177.7° | 179.9° |
| C36 | C35 | C38 | C42 | 35.0° | 50.0° |
| C36 | C35 | C38 | C46 | 148.6° | 129.7° |
| C36 | C35 | C34 | H22 | 177.7° | 180.0° |
| C35 | C36 | C37 | H23 | 176.3° | 179.8° |
| C21 | C20 | C25 | C24 | 179.6° | 179.6° |
| C20 | C21 | C17 | H8 | 159.9° | 69.3° |
| C20 | C21 | C17 | H9 | 80.8° | 170.1° |
| C20 | C21 | H10 | H11 | 118.4° | 119.8° |
| C21 | C20 | C25 | H13 | 0.4° | 0.3° |
| C20 | C25 | C24 | H13 | 180.0° | 180.0° |
| C20 | C25 | C24 | O7 | 179.9° | 179.9° |
| C25 | C20 | C21 | H10 | 73.2° | 43.2° |
| C25 | C20 | C21 | H11 | 45.8° | 76.5° |
| N4 | C30 | C31 | H20 | 179.3° | 180.0° |
| C25 | C24 | O7 | C39 | 5.6° | 0.0° |
| C24 | O7 | C39 | C40 | 148.7° | 180.0° |
| O7 | C24 | C25 | H13 | 0.1° | 0.0° |
| C24 | O7 | C39 | H24 | 91.7° | 60.0° |
| C24 | O7 | C39 | H25 | 29.2° | 60.0° |
| C33 | C34 | C35 | H22 | 180.0° | 179.9° |
| C33 | C34 | C35 | C38 | 175.4° | 180.0° |
| C34 | C35 | C38 | C42 | 142.5° | 130.1° |
| C34 | C35 | C38 | C46 | 33.9° | 50.3° |
| C35 | C34 | C33 | H21 | 177.7° | 180.0° |
| C35 | C38 | C42 | C46 | 176.5° | 179.7° |
| C35 | C38 | C42 | C43 | 178.1° | 180.0° |
| C35 | C38 | C46 | C45 | 177.9° | 179.8° |
| C38 | C35 | C34 | H22 | 4.6° | 0.1° |
| C35 | C38 | C42 | H30 | 1.8° | 0.0° |
| C35 | C38 | C46 | H33 | 2.1° | 0.0° |
| O7 | C39 | C40 | H24 | 119.6° | 120.0° |
| O7 | C39 | C40 | H25 | 119.5° | 120.0° |
| O7 | C39 | C40 | O9 | 61.3° | 65.0° |
| O7 | C39 | H24 | H25 | 121.3° | 119.9° |
| O7 | C39 | C40 | H26 | 178.5° | 55.0° |
| O7 | C39 | C40 | H27 | 59.1° | 175.0° |
| C38 | C42 | C43 | H30 | 180.0° | 180.0° |
| C42 | C38 | C46 | C45 | 1.3° | 0.6° |
| C38 | C42 | C43 | C44 | 0.9° | 0.1° |
| C38 | C42 | C43 | H31 | 179.1° | 180.0° |
| C42 | C38 | C46 | H33 | 178.6° | 179.7° |
| C46 | C38 | C42 | C43 | 1.7° | 0.3° |
| C38 | C46 | C45 | H33 | 180.0° | 179.8° |
| C38 | C46 | C45 | C44 | 0.3° | 0.6° |
| C46 | C38 | C42 | H30 | 178.3° | 179.7° |
| C38 | C46 | C45 | H32 | 179.8° | 179.7° |
| C42 | C43 | C44 | H31 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.1° |
| C42 | C43 | C44 | C47 | 179.5° | 180.0° |
| C46 | C45 | C44 | C43 | 0.5° | 0.3° |
| C46 | C45 | C44 | H32 | 180.0° | 179.7° |
| C46 | C45 | C44 | C47 | 179.8° | 179.8° |
| C39 | C40 | O9 | C41 | 129.2° | 180.0° |
| C39 | C40 | O9 | H26 | 120.3° | 120.0° |
| C39 | C40 | O9 | H27 | 120.3° | 120.1° |
| C40 | C39 | H24 | H25 | 121.3° | 120.0° |
| C39 | C40 | H26 | H27 | 119.2° | 120.0° |
| C43 | C44 | C45 | C47 | 179.3° | 179.9° |
| C43 | C44 | C47 | O10 | 1.3° | 0.0° |
| C43 | C44 | C47 | O11 | 178.5° | 179.9° |
| C44 | C43 | C42 | H30 | 179.1° | 180.0° |
| C43 | C44 | C45 | H32 | 179.5° | 180.0° |
| O9 | C41 | C48 | H28 | 120.7° | 120.0° |
| O9 | C41 | C48 | H29 | 120.7° | 120.0° |
| O9 | C41 | C48 | N49 | 27.8° | 65.0° |
| C41 | O9 | C40 | H26 | 110.5° | 60.0° |
| C41 | O9 | C40 | H27 | 8.9° | 59.9° |
| O9 | C41 | H28 | H29 | 117.8° | 120.0° |
| O9 | C41 | C48 | H34 | 93.0° | 175.0° |
| O9 | C41 | C48 | H35 | 148.6° | 54.9° |
| C48 | C41 | O9 | C40 | 85.6° | 180.0° |
| C41 | C48 | N49 | H34 | 120.8° | 120.0° |
| C41 | C48 | N49 | H35 | 120.8° | 120.0° |
| C41 | C48 | N49 | C50 | 102.2° | 180.0° |
| C48 | C41 | H28 | H29 | 117.9° | 120.0° |
| C41 | C48 | H34 | H35 | 117.5° | 120.1° |
| C41 | C48 | N49 | H36 | 77.8° | 0.0° |
| O9 | C40 | C39 | H24 | 58.3° | 55.0° |
| O9 | C40 | C39 | H25 | 179.2° | 175.0° |
| O9 | C40 | H26 | H27 | 119.1° | 119.9° |
| C40 | O9 | C41 | H28 | 35.1° | 60.0° |
| C40 | O9 | C41 | H29 | 153.7° | 60.0° |
| C45 | C44 | C47 | O10 | 179.4° | 179.9° |
| C45 | C44 | C47 | O11 | 0.8° | 0.0° |
| C45 | C44 | C43 | H31 | 179.8° | 180.0° |
| C44 | C45 | C46 | H33 | 179.7° | 179.7° |
| C66 | C64 | C67 | C65 | 116.6° | 120.0° |
| C66 | C64 | C67 | O63 | 117.7° | 120.1° |
| C66 | C64 | C65 | O63 | 115.6° | 120.0° |
| C66 | C64 | O63 | C68 | 157.8° | 176.8° |
| C66 | C64 | C65 | H53 | 180.0° | 65.3° |
| C66 | C64 | C65 | H54 | 60.0° | 54.8° |
| C66 | C64 | C65 | H55 | 60.0° | 174.7° |
| C64 | C66 | H56 | H57 | 120.0° | 120.0° |
| C64 | C66 | H56 | H58 | 120.0° | 120.0° |
| C64 | C66 | H57 | H58 | 120.0° | 120.0° |
| C66 | C64 | C67 | H59 | 180.0° | 64.6° |
| C66 | C64 | C67 | H60 | 60.0° | 55.4° |
| C66 | C64 | C67 | H61 | 60.0° | 175.4° |
| C44 | C47 | O10 | O11 | 179.8° | 180.0° |
| C44 | C47 | O11 | H4 | 179.8° | 179.9° |
| C47 | C44 | C43 | H31 | 0.4° | 0.1° |
| C47 | C44 | C45 | H32 | 0.1° | 0.1° |
| C67 | C64 | C65 | O63 | 127.5° | 120.0° |
| C67 | C64 | O63 | C68 | 39.2° | 56.8° |
| C67 | C64 | C65 | H53 | 63.1° | 174.7° |
| C67 | C64 | C65 | H54 | 56.9° | 65.2° |
| C67 | C64 | C65 | H55 | 176.9° | 54.8° |
| C67 | C64 | C66 | H56 | 180.0° | 180.0° |
| C67 | C64 | C66 | H57 | 60.0° | 60.0° |
| C67 | C64 | C66 | H58 | 60.0° | 60.0° |
| C64 | C67 | H59 | H60 | 120.0° | 120.0° |
| C64 | C67 | H59 | H61 | 120.0° | 120.0° |
| C64 | C67 | H60 | H61 | 120.0° | 120.0° |
| C48 | N49 | C50 | O12 | 9.8° | 0.1° |
| C48 | N49 | C50 | H36 | 180.0° | 180.0° |
| C48 | N49 | C50 | C51 | 168.6° | 180.0° |
| N49 | C48 | C41 | H28 | 148.5° | 55.0° |
| N49 | C48 | C41 | H29 | 92.9° | 175.0° |
| N49 | C48 | H34 | H35 | 117.5° | 119.9° |
| O10 | C47 | O11 | H4 | 0.0° | 0.1° |
| C65 | C64 | O63 | C68 | 86.0° | 63.2° |
| C64 | C65 | H53 | H54 | 120.0° | 120.1° |
| C64 | C65 | H53 | H55 | 120.0° | 120.0° |
| C64 | C65 | H54 | H55 | 120.0° | 120.0° |
| C65 | C64 | C66 | H56 | 61.6° | 60.0° |
| C65 | C64 | C66 | H57 | 58.4° | 180.0° |
| C65 | C64 | C66 | H58 | 178.4° | 60.0° |
| C65 | C64 | C67 | H59 | 63.4° | 55.4° |
| C65 | C64 | C67 | H60 | 176.6° | 175.3° |
| C65 | C64 | C67 | H61 | 56.6° | 64.6° |
| C64 | O63 | C68 | N14 | 113.3° | 174.1° |
| C64 | O63 | C68 | O69 | 68.6° | 5.9° |
| O63 | C64 | C65 | H53 | 64.4° | 54.7° |
| O63 | C64 | C65 | H54 | 175.6° | 174.8° |
| O63 | C64 | C65 | H55 | 55.6° | 65.2° |
| O63 | C64 | C66 | H56 | 57.1° | 60.0° |
| O63 | C64 | C66 | H57 | 177.1° | 60.0° |
| O63 | C64 | C66 | H58 | 62.9° | 180.0° |
| O63 | C64 | C67 | H59 | 62.3° | 175.4° |
| O63 | C64 | C67 | H60 | 57.7° | 64.7° |
| O63 | C64 | C67 | H61 | 177.8° | 55.3° |
| O76 | C75 | O70 | N16 | 179.8° | 180.0° |
| O76 | C75 | O70 | C71 | 5.8° | 0.0° |
| O76 | C75 | N16 | C51 | 18.4° | 0.0° |
| O76 | C75 | N16 | H7 | 161.6° | 180.0° |
| O12 | C50 | N49 | C51 | 178.5° | 179.9° |
| O12 | C50 | C51 | N16 | 172.9° | 20.1° |
| O12 | C50 | C51 | C52 | 61.2° | 99.9° |
| O12 | C50 | N49 | H36 | 170.2° | 180.0° |
| O12 | C50 | C51 | H37 | 56.0° | 140.0° |
| C72 | C71 | C73 | O70 | 128.7° | 120.0° |
| C72 | C71 | C73 | C74 | 116.5° | 120.0° |
| C72 | C71 | O70 | C75 | 72.7° | 180.0° |
| C72 | C71 | O70 | C74 | 117.1° | 120.0° |
| C71 | C72 | H62 | H63 | 120.0° | 120.0° |
| C71 | C72 | H62 | H64 | 120.0° | 120.0° |
| C71 | C72 | H63 | H64 | 120.0° | 120.0° |
| C72 | C71 | C73 | H65 | 180.0° | 180.0° |
| C72 | C71 | C73 | H66 | 60.0° | 59.9° |
| C72 | C71 | C73 | H67 | 60.0° | 60.0° |
| C72 | C71 | C74 | H68 | 180.0° | 60.0° |
| C72 | C71 | C74 | H69 | 60.0° | 60.0° |
| C72 | C71 | C74 | H70 | 60.0° | 180.0° |
| C73 | C71 | O70 | C75 | 56.9° | 59.9° |
| C73 | C71 | O70 | C74 | 113.2° | 119.9° |
| C73 | C71 | C72 | H62 | 180.0° | 60.0° |
| C73 | C71 | C72 | H63 | 60.0° | 59.9° |
| C73 | C71 | C72 | H64 | 60.0° | 180.0° |
| C71 | C73 | H65 | H66 | 120.0° | 120.0° |
| C71 | C73 | H65 | H67 | 120.0° | 120.0° |
| C71 | C73 | H66 | H67 | 120.0° | 119.9° |
| C73 | C71 | C74 | H68 | 60.1° | 180.0° |
| C73 | C71 | C74 | H69 | 59.9° | 60.1° |
| C73 | C71 | C74 | H70 | 179.8° | 60.0° |
| N49 | C50 | C51 | N16 | 5.6° | 160.0° |
| N49 | C50 | C51 | C52 | 120.2° | 80.0° |
| C50 | N49 | C48 | H34 | 137.0° | 60.0° |
| C50 | N49 | C48 | H35 | 18.7° | 60.0° |
| N49 | C50 | C51 | H37 | 122.5° | 40.0° |
| C50 | C51 | N16 | C75 | 91.3° | 60.0° |
| C50 | C51 | N16 | C52 | 126.4° | 120.0° |
| C50 | C51 | N16 | H37 | 116.4° | 120.0° |
| C50 | C51 | C52 | H37 | 117.3° | 120.1° |
| C50 | C51 | C52 | C53 | 115.1° | 175.0° |
| C50 | C51 | N16 | H7 | 88.7° | 120.0° |
| C51 | C50 | N49 | H36 | 11.4° | 0.0° |
| C50 | C51 | C52 | H38 | 125.0° | 65.0° |
| C50 | C51 | C52 | H39 | 4.8° | 55.1° |
| O63 | C68 | N14 | O69 | 178.1° | 180.0° |
| O63 | C68 | N14 | C55 | 155.6° | 173.9° |
| C75 | O70 | C71 | C74 | 170.1° | 60.0° |
| O70 | C75 | N16 | C51 | 161.8° | 180.0° |
| O70 | C75 | N16 | H7 | 18.2° | 0.0° |
| N16 | C75 | O70 | C71 | 173.9° | 180.0° |
| C75 | N16 | C51 | H7 | 180.0° | 180.0° |
| C75 | N16 | C51 | C52 | 142.3° | 60.0° |
| C75 | N16 | C51 | H37 | 25.1° | 179.9° |
| O70 | C71 | C72 | H62 | 49.3° | 60.0° |
| O70 | C71 | C72 | H63 | 169.3° | 180.0° |
| O70 | C71 | C72 | H64 | 70.7° | 60.0° |
| O70 | C71 | C73 | H65 | 51.3° | 60.0° |
| O70 | C71 | C73 | H66 | 68.7° | 180.0° |
| O70 | C71 | C73 | H67 | 171.3° | 60.1° |
| O70 | C71 | C74 | H68 | 61.0° | 60.0° |
| O70 | C71 | C74 | H69 | 179.0° | 180.0° |
| O70 | C71 | C74 | H70 | 59.0° | 60.0° |
| C74 | C71 | C72 | H62 | 66.4° | 180.0° |
| C74 | C71 | C72 | H63 | 53.5° | 60.0° |
| C74 | C71 | C72 | H64 | 173.6° | 60.0° |
| C74 | C71 | C73 | H65 | 63.5° | 60.0° |
| C74 | C71 | C73 | H66 | 176.5° | 60.1° |
| C74 | C71 | C73 | H67 | 56.5° | 180.0° |
| C71 | C74 | H68 | H69 | 120.0° | 120.0° |
| C71 | C74 | H68 | H70 | 120.0° | 119.9° |
| C71 | C74 | H69 | H70 | 120.0° | 120.0° |
| N16 | C51 | C52 | H37 | 117.7° | 119.9° |
| N16 | C51 | C52 | C53 | 119.9° | 65.0° |
| N16 | C51 | C52 | H38 | 0.0° | 55.0° |
| N16 | C51 | C52 | H39 | 120.2° | 175.1° |
| C51 | C52 | C53 | H38 | 119.9° | 120.1° |
| C51 | C52 | C53 | H39 | 119.9° | 120.0° |
| C51 | C52 | C53 | C54 | 105.2° | 180.0° |
| C52 | C51 | N16 | H7 | 37.7° | 120.0° |
| C51 | C52 | H38 | H39 | 120.2° | 120.0° |
| C51 | C52 | C53 | H40 | 134.5° | 60.0° |
| C51 | C52 | C53 | H41 | 15.2° | 60.0° |
| C68 | N14 | C55 | N13 | 140.1° | 174.8° |
| C68 | N14 | C55 | N15 | 38.6° | 5.2° |
| O69 | C68 | N14 | C55 | 22.4° | 6.1° |
| N14 | C55 | N13 | N15 | 178.5° | 180.0° |
| N14 | C55 | N13 | C54 | 102.2° | 6.9° |
| N14 | C55 | N15 | C61 | 179.3° | 173.2° |
| N14 | C55 | N13 | H5 | 77.8° | 173.1° |
| N14 | C55 | N15 | H6 | 0.7° | 6.9° |
| C52 | C53 | C54 | H40 | 120.4° | 120.0° |
| C52 | C53 | C54 | H41 | 120.4° | 120.0° |
| C52 | C53 | C54 | N13 | 178.0° | 180.0° |
| C53 | C52 | C51 | H37 | 2.2° | 54.9° |
| C53 | C52 | H38 | H39 | 120.3° | 119.9° |
| C52 | C53 | H40 | H41 | 118.9° | 120.0° |
| C52 | C53 | C54 | H42 | 62.0° | 60.0° |
| C52 | C53 | C54 | H43 | 57.9° | 60.0° |
| C53 | C54 | N13 | C55 | 154.2° | 180.0° |
| C53 | C54 | N13 | H42 | 120.1° | 120.0° |
| C53 | C54 | N13 | H43 | 120.1° | 120.0° |
| C53 | C54 | N13 | H5 | 25.8° | 0.0° |
| C54 | C53 | C52 | H38 | 14.8° | 60.0° |
| C54 | C53 | C52 | H39 | 134.9° | 60.0° |
| C54 | C53 | H40 | H41 | 118.9° | 119.9° |
| C53 | C54 | H42 | H43 | 119.8° | 120.0° |
| C55 | N13 | C54 | H5 | 180.0° | 180.0° |
| N13 | C55 | N15 | C61 | 0.8° | 6.7° |
| N13 | C55 | N15 | H6 | 179.1° | 173.2° |
| C55 | N13 | C54 | H42 | 34.1° | 60.0° |
| C55 | N13 | C54 | H43 | 85.8° | 60.0° |
| C54 | N13 | C55 | N15 | 79.4° | 173.1° |
| N13 | C54 | C53 | H40 | 57.6° | 60.0° |
| N13 | C54 | C53 | H41 | 61.7° | 60.0° |
| N13 | C54 | H42 | H43 | 119.8° | 120.1° |
| C55 | N15 | C61 | H6 | 180.0° | 179.9° |
| C55 | N15 | C61 | O56 | 72.2° | 174.0° |
| C55 | N15 | C61 | O62 | 110.7° | 6.1° |
| N15 | C55 | N13 | H5 | 100.7° | 6.9° |
| N15 | C61 | O56 | O62 | 177.0° | 179.9° |
| N15 | C61 | O56 | C57 | 163.8° | 175.8° |
| C61 | O56 | C57 | C59 | 62.5° | 177.5° |
| C61 | O56 | C57 | C60 | 179.2° | 57.5° |
| C61 | O56 | C57 | C58 | 64.2° | 62.5° |
| O56 | C61 | N15 | H6 | 107.8° | 5.9° |
| O62 | C61 | O56 | C57 | 19.2° | 4.1° |
| O62 | C61 | N15 | H6 | 69.3° | 174.0° |
| O56 | C57 | C59 | C60 | 116.1° | 120.0° |
| O56 | C57 | C59 | C58 | 127.9° | 120.0° |
| O56 | C57 | C60 | C58 | 120.6° | 120.0° |
| O56 | C57 | C58 | H44 | 180.0° | 64.9° |
| O56 | C57 | C58 | H45 | 60.0° | 175.1° |
| O56 | C57 | C58 | H46 | 60.0° | 55.1° |
| O56 | C57 | C59 | H47 | 180.0° | 60.0° |
| O56 | C57 | C59 | H48 | 60.0° | 180.0° |
| O56 | C57 | C59 | H49 | 60.0° | 60.0° |
| O56 | C57 | C60 | H50 | 180.0° | 65.9° |
| O56 | C57 | C60 | H51 | 60.0° | 174.0° |
| O56 | C57 | C60 | H52 | 60.0° | 54.1° |
| C59 | C57 | C60 | C58 | 118.6° | 120.0° |
| C59 | C57 | C58 | H44 | 52.0° | 55.1° |
| C59 | C57 | C58 | H45 | 172.0° | 64.9° |
| C59 | C57 | C58 | H46 | 68.0° | 175.1° |
| C57 | C59 | H47 | H48 | 120.0° | 120.0° |
| C57 | C59 | H47 | H49 | 120.0° | 120.0° |
| C57 | C59 | H48 | H49 | 120.0° | 120.0° |
| C59 | C57 | C60 | H50 | 59.2° | 174.1° |
| C59 | C57 | C60 | H51 | 60.8° | 54.1° |
| C59 | C57 | C60 | H52 | 179.2° | 65.9° |
| C60 | C57 | C58 | H44 | 64.0° | 175.1° |
| C60 | C57 | C58 | H45 | 56.0° | 55.1° |
| C60 | C57 | C58 | H46 | 176.0° | 64.9° |
| C60 | C57 | C59 | H47 | 63.9° | 60.0° |
| C60 | C57 | C59 | H48 | 176.1° | 60.0° |
| C60 | C57 | C59 | H49 | 56.1° | 180.0° |
| C57 | C60 | H50 | H51 | 120.0° | 120.0° |
| C57 | C60 | H50 | H52 | 120.0° | 120.0° |
| C57 | C60 | H51 | H52 | 120.0° | 120.0° |
| C57 | C58 | H44 | H45 | 120.0° | 120.0° |
| C57 | C58 | H44 | H46 | 120.0° | 120.1° |
| C57 | C58 | H45 | H46 | 120.0° | 120.0° |
| C58 | C57 | C59 | H47 | 52.1° | 180.0° |
| C58 | C57 | C59 | H48 | 67.9° | 60.0° |
| C58 | C57 | C59 | H49 | 172.1° | 60.0° |
| C58 | C57 | C60 | H50 | 59.4° | 54.1° |
| C58 | C57 | C60 | H51 | 179.4° | 66.0° |
| C58 | C57 | C60 | H52 | 60.6° | 174.1° |
| H1 | N1 | C17 | H8 | 55.9° | 75.0° |
| H1 | N1 | C17 | H9 | 175.2° | 45.6° |
| H5 | N13 | C54 | H42 | 145.9° | 120.0° |
| H5 | N13 | C54 | H43 | 94.3° | 120.0° |
| H7 | N16 | C51 | H37 | 154.9° | 0.0° |
| H8 | C17 | C21 | H10 | 39.4° | 50.8° |
| H8 | C17 | C21 | H11 | 79.5° | 170.5° |
| H9 | C17 | C21 | H10 | 158.7° | 69.8° |
| H9 | C17 | C21 | H11 | 39.8° | 49.9° |
| H16 | C27 | H17 | H18 | 120.0° | 120.0° |
| H19 | C30 | C31 | H20 | 0.7° | 0.0° |
| H21 | C33 | C34 | H22 | 2.3° | 0.0° |
| H24 | C39 | C40 | H26 | 62.0° | 175.0° |
| H24 | C39 | C40 | H27 | 178.6° | 65.0° |
| H25 | C39 | C40 | H26 | 58.9° | 65.0° |
| H25 | C39 | C40 | H27 | 60.5° | 55.0° |
| H28 | C41 | C48 | H34 | 27.7° | 65.0° |
| H28 | C41 | C48 | H35 | 90.7° | 175.0° |
| H29 | C41 | C48 | H34 | 146.3° | 55.0° |
| H29 | C41 | C48 | H35 | 28.0° | 65.1° |
| H30 | C42 | C43 | H31 | 0.9° | 0.0° |
| H32 | C45 | C46 | H33 | 0.3° | 0.0° |
| H34 | C48 | N49 | H36 | 43.0° | 120.0° |
| H35 | C48 | N49 | H36 | 161.3° | 120.0° |
| H37 | C51 | C52 | H38 | 117.7° | 175.0° |
| H37 | C51 | C52 | H39 | 122.1° | 65.0° |
| H38 | C52 | C53 | H40 | 105.6° | 180.0° |
| H38 | C52 | C53 | H41 | 135.1° | 60.0° |
| H39 | C52 | C53 | H40 | 14.5° | 60.0° |
| H39 | C52 | C53 | H41 | 104.7° | 180.0° |
| H40 | C53 | C54 | H42 | 177.7° | 60.0° |
| H40 | C53 | C54 | H43 | 62.5° | 180.0° |
| H41 | C53 | C54 | H42 | 58.4° | 180.0° |
| H41 | C53 | C54 | H43 | 178.2° | 60.0° |
| H44 | C58 | H45 | H46 | 120.0° | 120.0° |
| H47 | C59 | H48 | H49 | 120.0° | 120.0° |
| H50 | C60 | H51 | H52 | 120.0° | 120.0° |
| H53 | C65 | H54 | H55 | 120.0° | 120.0° |
| H56 | C66 | H57 | H58 | 120.0° | 120.0° |
| H59 | C67 | H60 | H61 | 120.0° | 120.0° |
| H62 | C72 | H63 | H64 | 120.0° | 120.0° |
| H65 | C73 | H66 | H67 | 120.0° | 120.0° |
| H68 | C74 | H69 | H70 | 120.0° | 120.0° |
