HDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O77 | C76 | sing | 1.43Å | 1.40Å | |
| C76 | C75 | sing | 1.53Å | 1.54Å | |
| C75 | S74 | sing | 1.81Å | 1.82Å | |
| S74 | C73 | sing | 1.81Å | 1.82Å | |
| C73 | C71 | sing | 1.51Å | 1.52Å | |
| C71 | N70 | sing | 1.35Å | 1.46Å | |
| C71 | O72 | doub | 1.21Å | 1.19Å | |
| N70 | C69 | sing | 1.47Å | 1.50Å | |
| C69 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C67 | sing | 1.53Å | 1.58Å | |
| C67 | C66 | sing | 1.53Å | 1.57Å | |
| C66 | C65 | sing | 1.53Å | 1.54Å | |
| O80 | C78 | doub | 1.21Å | 1.27Å | |
| C65 | C78 | sing | 1.51Å | 1.54Å | |
| C65 | N64 | sing | 1.47Å | 1.43Å | |
| C78 | O79 | sing | 1.34Å | 1.26Å | |
| N64 | C62 | sing | 1.35Å | 1.46Å | |
| C62 | O63 | doub | 1.21Å | 1.20Å | |
| C62 | C61 | sing | 1.51Å | 1.53Å | |
| O41 | C40 | doub | 1.21Å | 1.19Å | |
| C61 | O60 | sing | 1.43Å | 1.44Å | |
| O60 | C59 | sing | 1.43Å | 1.43Å | |
| C59 | C58 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.51Å | 1.58Å | |
| C39 | O38 | sing | 1.43Å | 1.39Å | |
| C40 | N42 | sing | 1.35Å | 1.48Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.51Å | 1.54Å | |
| O38 | C37 | sing | 1.43Å | 1.39Å | |
| N42 | C43 | sing | 1.46Å | 1.44Å | |
| C43 | C84 | sing | 1.51Å | 1.54Å | |
| C58 | O57 | sing | 1.43Å | 1.45Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| O57 | C56 | sing | 1.43Å | 1.43Å | |
| C46 | O47 | doub | 1.21Å | 1.18Å | |
| C46 | N48 | sing | 1.35Å | 1.46Å | |
| C36 | O35 | sing | 1.43Å | 1.41Å | |
| C84 | O86 | doub | 1.21Å | 1.26Å | |
| C84 | O85 | sing | 1.34Å | 1.27Å | |
| O35 | C34 | sing | 1.43Å | 1.40Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | N54 | sing | 1.46Å | 1.46Å | |
| N48 | C49 | sing | 1.46Å | 1.46Å | |
| N54 | C52 | sing | 1.35Å | 1.47Å | |
| C33 | N32 | sing | 1.46Å | 1.47Å | |
| C49 | C50 | sing | 1.53Å | 1.56Å | |
| C49 | C81 | sing | 1.51Å | 1.55Å | |
| C52 | O53 | doub | 1.21Å | 1.19Å | |
| C52 | C51 | sing | 1.51Å | 1.56Å | |
| N32 | C30 | sing | 1.35Å | 1.48Å | |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| O82 | C81 | doub | 1.21Å | 1.26Å | |
| C81 | O83 | sing | 1.34Å | 1.27Å | |
| C30 | O31 | doub | 1.21Å | 1.20Å | |
| C30 | C29 | sing | 1.51Å | 1.60Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| O26 | S24 | doub | 1.42Å | 1.47Å | |
| C27 | S24 | sing | 1.81Å | 1.85Å | |
| S24 | O25 | doub | 1.42Å | 1.48Å | |
| S24 | N23 | sing | 1.66Å | 1.74Å | |
| O22 | C21 | doub | 1.21Å | 1.19Å | |
| N23 | C21 | sing | 1.35Å | 1.50Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C01 | sing | 1.53Å | 1.59Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | N10 | sing | 1.33Å | 1.32Å | Aromatic |
| C09 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | N11 | doub | 1.29Å | 1.37Å | Aromatic |
| N13 | N12 | sing | 1.29Å | 1.36Å | Aromatic |
| N11 | N12 | sing | 1.29Å | 1.37Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C49 | H53 | sing | 1.09Å | 1.10Å | |
| C50 | H54 | sing | 1.09Å | 1.10Å | |
| C50 | H55 | sing | 1.09Å | 1.10Å | |
| C51 | H56 | sing | 1.09Å | 1.10Å | |
| C51 | H57 | sing | 1.09Å | 1.10Å | |
| C55 | H58 | sing | 1.09Å | 1.10Å | |
| C55 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| C56 | H61 | sing | 1.09Å | 1.10Å | |
| C58 | H62 | sing | 1.09Å | 1.10Å | |
| C58 | H63 | sing | 1.09Å | 1.10Å | |
| C59 | H64 | sing | 1.09Å | 1.10Å | |
| C59 | H65 | sing | 1.09Å | 1.10Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C61 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C66 | H69 | sing | 1.09Å | 1.10Å | |
| C66 | H70 | sing | 1.09Å | 1.10Å | |
| C67 | H71 | sing | 1.09Å | 1.10Å | |
| C67 | H72 | sing | 1.09Å | 1.10Å | |
| C68 | H73 | sing | 1.09Å | 1.10Å | |
| C68 | H74 | sing | 1.09Å | 1.10Å | |
| C69 | H75 | sing | 1.09Å | 1.10Å | |
| C69 | H76 | sing | 1.09Å | 1.10Å | |
| C73 | H77 | sing | 1.09Å | 1.10Å | |
| C73 | H78 | sing | 1.09Å | 1.10Å | |
| C75 | H79 | sing | 1.09Å | 1.10Å | |
| C75 | H80 | sing | 1.09Å | 1.10Å | |
| C76 | H81 | sing | 1.09Å | 1.10Å | |
| C76 | H82 | sing | 1.09Å | 1.10Å | |
| N23 | H83 | sing | 0.97Å | 1.00Å | |
| N32 | H84 | sing | 0.97Å | 1.00Å | |
| N42 | H85 | sing | 0.97Å | 1.00Å | |
| N48 | H86 | sing | 0.97Å | 1.00Å | |
| N54 | H87 | sing | 0.97Å | 1.00Å | |
| N64 | H88 | sing | 0.97Å | 1.00Å | |
| N70 | H89 | sing | 0.97Å | 1.00Å | |
| O77 | H90 | sing | 0.97Å | 0.95Å | |
| O79 | H91 | sing | 0.97Å | 0.95Å | |
| O83 | H92 | sing | 0.97Å | 0.95Å | |
| O85 | H93 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O77 | C76 | C75 | 108.4° | 109.5° |
| O77 | C76 | H81 | 109.7° | 109.5° |
| O77 | C76 | H82 | 109.7° | 109.5° |
| C76 | O77 | H90 | 109.5° | 114.0° |
| C76 | C75 | S74 | 109.6° | 109.5° |
| C76 | C75 | H79 | 109.4° | 109.4° |
| C76 | C75 | H80 | 109.5° | 109.5° |
| C75 | C76 | H81 | 109.7° | 109.5° |
| C75 | C76 | H82 | 109.7° | 109.4° |
| C75 | S74 | C73 | 109.6° | 103.0° |
| S74 | C75 | H79 | 109.4° | 109.5° |
| S74 | C75 | H80 | 109.4° | 109.5° |
| S74 | C73 | C71 | 109.6° | 109.5° |
| S74 | C73 | H77 | 109.4° | 109.5° |
| S74 | C73 | H78 | 109.4° | 109.5° |
| C73 | C71 | N70 | 120.0° | 120.0° |
| C73 | C71 | O72 | 120.0° | 120.0° |
| C71 | C73 | H77 | 109.4° | 109.5° |
| C71 | C73 | H78 | 109.5° | 109.5° |
| N70 | C71 | O72 | 120.0° | 120.0° |
| C71 | N70 | C69 | 120.0° | 120.0° |
| C71 | N70 | H89 | 120.0° | 120.0° |
| N70 | C69 | C68 | 110.4° | 109.5° |
| N70 | C69 | H75 | 109.2° | 109.5° |
| N70 | C69 | H76 | 109.2° | 109.5° |
| C69 | N70 | H89 | 120.0° | 120.0° |
| C69 | C68 | C67 | 112.3° | 109.4° |
| C69 | C68 | H73 | 108.8° | 109.5° |
| C69 | C68 | H74 | 108.8° | 109.5° |
| C68 | C69 | H75 | 109.3° | 109.5° |
| C68 | C69 | H76 | 109.2° | 109.5° |
| C68 | C67 | C66 | 112.4° | 109.4° |
| C68 | C67 | H71 | 108.7° | 109.5° |
| C68 | C67 | H72 | 108.7° | 109.5° |
| C67 | C68 | H73 | 108.7° | 109.5° |
| C67 | C68 | H74 | 108.7° | 109.5° |
| C67 | C66 | C65 | 112.3° | 109.4° |
| C67 | C66 | H69 | 108.8° | 109.4° |
| C67 | C66 | H70 | 108.8° | 109.5° |
| C66 | C67 | H71 | 108.7° | 109.4° |
| C66 | C67 | H72 | 108.7° | 109.5° |
| C66 | C65 | C78 | 109.3° | 109.4° |
| C66 | C65 | N64 | 109.4° | 109.5° |
| C66 | C65 | H68 | 109.0° | 109.5° |
| C65 | C66 | H69 | 108.7° | 109.5° |
| C65 | C66 | H70 | 108.7° | 109.5° |
| O80 | C78 | C65 | 120.0° | 120.0° |
| O80 | C78 | O79 | 120.0° | 120.0° |
| C78 | C65 | N64 | 109.5° | 109.4° |
| C65 | C78 | O79 | 120.0° | 120.0° |
| C78 | C65 | H68 | 109.1° | 109.5° |
| C65 | N64 | C62 | 120.4° | 120.0° |
| N64 | C65 | H68 | 110.5° | 109.5° |
| C65 | N64 | H88 | 119.8° | 120.0° |
| C78 | O79 | H91 | 109.5° | 117.0° |
| N64 | C62 | O63 | 119.9° | 120.0° |
| N64 | C62 | C61 | 120.3° | 120.0° |
| C62 | N64 | H88 | 119.8° | 120.0° |
| O63 | C62 | C61 | 119.9° | 120.0° |
| C62 | C61 | O60 | 108.5° | 109.5° |
| C62 | C61 | H66 | 109.7° | 109.5° |
| C62 | C61 | H67 | 109.7° | 109.5° |
| O41 | C40 | C39 | 120.2° | 120.0° |
| O41 | C40 | N42 | 120.1° | 120.0° |
| C61 | O60 | C59 | 113.9° | 114.0° |
| O60 | C61 | H66 | 109.7° | 109.5° |
| O60 | C61 | H67 | 109.7° | 109.5° |
| O60 | C59 | C58 | 108.6° | 109.5° |
| O60 | C59 | H64 | 109.7° | 109.4° |
| O60 | C59 | H65 | 109.7° | 109.5° |
| C59 | C58 | O57 | 108.4° | 109.4° |
| C59 | C58 | H62 | 109.7° | 109.5° |
| C59 | C58 | H63 | 109.7° | 109.5° |
| C58 | C59 | H64 | 109.7° | 109.5° |
| C58 | C59 | H65 | 109.7° | 109.5° |
| C40 | C39 | O38 | 108.3° | 109.5° |
| C39 | C40 | N42 | 119.7° | 120.0° |
| C40 | C39 | H46 | 109.8° | 109.5° |
| C40 | C39 | H47 | 109.8° | 109.4° |
| C39 | O38 | C37 | 114.0° | 114.0° |
| O38 | C39 | H46 | 109.8° | 109.5° |
| O38 | C39 | H47 | 109.7° | 109.5° |
| C40 | N42 | C43 | 120.4° | 120.0° |
| C40 | N42 | H85 | 119.8° | 120.0° |
| C45 | C44 | C43 | 113.7° | 109.5° |
| C44 | C45 | C46 | 112.6° | 109.5° |
| C45 | C44 | H49 | 108.4° | 109.5° |
| C45 | C44 | H50 | 108.4° | 109.5° |
| C44 | C45 | H51 | 108.7° | 109.5° |
| C44 | C45 | H52 | 108.7° | 109.5° |
| C44 | C43 | N42 | 108.9° | 109.5° |
| C44 | C43 | C84 | 110.5° | 109.5° |
| C44 | C43 | H48 | 109.1° | 109.4° |
| C43 | C44 | H49 | 108.4° | 109.4° |
| C43 | C44 | H50 | 108.4° | 109.5° |
| C45 | C46 | O47 | 119.9° | 120.0° |
| C45 | C46 | N48 | 120.2° | 120.0° |
| C46 | C45 | H51 | 108.7° | 109.4° |
| C46 | C45 | H52 | 108.7° | 109.5° |
| O38 | C37 | C36 | 108.0° | 109.4° |
| O38 | C37 | H44 | 109.9° | 109.5° |
| O38 | C37 | H45 | 109.8° | 109.5° |
| N42 | C43 | C84 | 109.2° | 109.5° |
| N42 | C43 | H48 | 110.3° | 109.5° |
| C43 | N42 | H85 | 119.8° | 120.0° |
| C43 | C84 | O86 | 120.0° | 120.0° |
| C43 | C84 | O85 | 119.9° | 120.0° |
| C84 | C43 | H48 | 108.9° | 109.4° |
| C58 | O57 | C56 | 114.0° | 114.0° |
| O57 | C58 | H62 | 109.7° | 109.5° |
| O57 | C58 | H63 | 109.8° | 109.5° |
| C37 | C36 | O35 | 109.6° | 109.4° |
| C37 | C36 | H42 | 109.4° | 109.5° |
| C37 | C36 | H43 | 109.4° | 109.5° |
| C36 | C37 | H44 | 109.8° | 109.5° |
| C36 | C37 | H45 | 109.9° | 109.4° |
| O57 | C56 | C55 | 108.5° | 109.4° |
| O57 | C56 | H60 | 109.7° | 109.5° |
| O57 | C56 | H61 | 109.7° | 109.5° |
| O47 | C46 | N48 | 119.9° | 120.0° |
| C46 | N48 | C49 | 120.0° | 120.0° |
| C46 | N48 | H86 | 120.0° | 120.0° |
| C36 | O35 | C34 | 115.0° | 114.0° |
| O35 | C36 | H42 | 109.5° | 109.4° |
| O35 | C36 | H43 | 109.4° | 109.5° |
| O86 | C84 | O85 | 120.0° | 119.9° |
| C84 | O85 | H93 | 109.5° | 117.0° |
| O35 | C34 | C33 | 108.2° | 109.5° |
| O35 | C34 | H40 | 109.8° | 109.4° |
| O35 | C34 | H41 | 109.8° | 109.5° |
| C34 | C33 | N32 | 110.1° | 109.5° |
| C34 | C33 | H38 | 109.3° | 109.5° |
| C34 | C33 | H39 | 109.3° | 109.4° |
| C33 | C34 | H40 | 109.8° | 109.5° |
| C33 | C34 | H41 | 109.8° | 109.5° |
| C56 | C55 | N54 | 110.4° | 109.4° |
| C56 | C55 | H58 | 109.3° | 109.5° |
| C56 | C55 | H59 | 109.2° | 109.5° |
| C55 | C56 | H60 | 109.7° | 109.4° |
| C55 | C56 | H61 | 109.7° | 109.5° |
| C55 | N54 | C52 | 120.0° | 120.0° |
| N54 | C55 | H58 | 109.2° | 109.4° |
| N54 | C55 | H59 | 109.2° | 109.5° |
| C55 | N54 | H87 | 120.0° | 120.0° |
| N48 | C49 | C50 | 109.8° | 109.5° |
| N48 | C49 | C81 | 109.5° | 109.5° |
| N48 | C49 | H53 | 109.3° | 109.5° |
| C49 | N48 | H86 | 120.0° | 120.0° |
| N54 | C52 | O53 | 120.0° | 120.0° |
| N54 | C52 | C51 | 120.0° | 120.0° |
| C52 | N54 | H87 | 120.0° | 120.0° |
| C33 | N32 | C30 | 120.3° | 120.0° |
| N32 | C33 | H38 | 109.3° | 109.5° |
| N32 | C33 | H39 | 109.3° | 109.5° |
| C33 | N32 | H84 | 119.8° | 120.0° |
| C50 | C49 | C81 | 111.9° | 109.5° |
| C49 | C50 | C51 | 112.1° | 109.5° |
| C50 | C49 | H53 | 108.1° | 109.4° |
| C49 | C50 | H54 | 108.8° | 109.5° |
| C49 | C50 | H55 | 108.8° | 109.4° |
| C49 | C81 | O82 | 120.0° | 120.0° |
| C49 | C81 | O83 | 120.0° | 120.0° |
| C81 | C49 | H53 | 108.2° | 109.4° |
| O53 | C52 | C51 | 120.0° | 120.0° |
| C52 | C51 | C50 | 112.4° | 109.5° |
| C52 | C51 | H56 | 108.7° | 109.5° |
| C52 | C51 | H57 | 108.7° | 109.4° |
| N32 | C30 | O31 | 119.6° | 120.0° |
| N32 | C30 | C29 | 120.5° | 120.0° |
| C30 | N32 | H84 | 119.9° | 120.0° |
| C51 | C50 | H54 | 108.8° | 109.5° |
| C51 | C50 | H55 | 108.8° | 109.4° |
| C50 | C51 | H56 | 108.8° | 109.5° |
| C50 | C51 | H57 | 108.8° | 109.4° |
| O82 | C81 | O83 | 120.0° | 120.0° |
| C81 | O83 | H92 | 109.5° | 117.0° |
| O31 | C30 | C29 | 119.9° | 120.0° |
| C30 | C29 | C28 | 113.2° | 109.5° |
| C30 | C29 | H36 | 108.5° | 109.5° |
| C30 | C29 | H37 | 108.5° | 109.5° |
| C29 | C28 | C27 | 112.0° | 109.5° |
| C29 | C28 | H8 | 108.8° | 109.5° |
| C29 | C28 | H9 | 108.8° | 109.5° |
| C28 | C29 | H36 | 108.5° | 109.5° |
| C28 | C29 | H37 | 108.5° | 109.5° |
| C28 | C27 | S24 | 110.5° | 109.5° |
| C27 | C28 | H8 | 108.8° | 109.5° |
| C27 | C28 | H9 | 108.8° | 109.4° |
| C28 | C27 | H34 | 109.2° | 109.4° |
| C28 | C27 | H35 | 109.2° | 109.5° |
| O26 | S24 | C27 | 110.5° | 110.5° |
| O26 | S24 | O25 | 104.5° | 121.0° |
| O26 | S24 | N23 | 111.1° | 104.3° |
| C27 | S24 | O25 | 110.7° | 110.5° |
| C27 | S24 | N23 | 108.3° | 104.5° |
| S24 | C27 | H34 | 109.2° | 109.5° |
| S24 | C27 | H35 | 109.2° | 109.5° |
| O25 | S24 | N23 | 111.6° | 104.3° |
| S24 | N23 | C21 | 123.6° | 120.0° |
| S24 | N23 | H83 | 118.2° | 120.0° |
| O22 | C21 | N23 | 121.3° | 120.0° |
| O22 | C21 | C20 | 119.4° | 120.0° |
| N23 | C21 | C20 | 119.3° | 120.0° |
| C21 | N23 | H83 | 118.2° | 120.0° |
| C21 | C20 | C19 | 111.5° | 109.5° |
| C21 | C20 | H6 | 108.9° | 109.4° |
| C21 | C20 | H7 | 109.0° | 109.5° |
| C20 | C19 | C18 | 112.8° | 109.5° |
| C19 | C20 | H6 | 109.0° | 109.5° |
| C19 | C20 | H7 | 109.0° | 109.5° |
| C20 | C19 | H32 | 108.6° | 109.5° |
| C20 | C19 | H33 | 108.7° | 109.5° |
| C19 | C18 | C17 | 112.6° | 109.5° |
| C19 | C18 | H30 | 108.7° | 109.4° |
| C19 | C18 | H31 | 108.7° | 109.5° |
| C18 | C19 | H32 | 108.6° | 109.5° |
| C18 | C19 | H33 | 108.6° | 109.5° |
| C15 | C16 | C17 | 113.4° | 109.5° |
| C16 | C15 | C14 | 107.4° | 109.5° |
| C16 | C15 | H2 | 110.0° | 109.5° |
| C16 | C15 | H3 | 110.0° | 109.5° |
| C15 | C16 | H28 | 108.5° | 109.4° |
| C15 | C16 | H29 | 108.5° | 109.5° |
| C16 | C17 | C18 | 108.7° | 109.4° |
| C16 | C17 | H4 | 109.6° | 109.4° |
| C16 | C17 | H5 | 109.7° | 109.5° |
| C17 | C16 | H28 | 108.5° | 109.5° |
| C17 | C16 | H29 | 108.5° | 109.5° |
| C15 | C14 | C01 | 114.3° | 109.5° |
| C14 | C15 | H2 | 110.0° | 109.5° |
| C14 | C15 | H3 | 110.0° | 109.4° |
| C15 | C14 | H26 | 108.2° | 109.4° |
| C15 | C14 | H27 | 108.3° | 109.5° |
| C14 | C01 | C02 | 108.2° | 109.5° |
| C14 | C01 | H10 | 109.8° | 109.4° |
| C14 | C01 | H11 | 109.8° | 109.4° |
| C01 | C14 | H26 | 108.3° | 109.5° |
| C01 | C14 | H27 | 108.2° | 109.5° |
| C02 | C03 | C04 | 109.4° | 109.5° |
| C03 | C02 | C01 | 111.9° | 109.4° |
| C03 | C02 | H12 | 108.8° | 109.5° |
| C03 | C02 | H13 | 108.8° | 109.4° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.4° |
| C03 | C04 | C05 | 107.7° | 109.5° |
| C04 | C03 | H14 | 109.5° | 109.4° |
| C04 | C03 | H15 | 109.5° | 109.4° |
| C03 | C04 | H16 | 109.9° | 109.4° |
| C03 | C04 | H17 | 109.9° | 109.5° |
| C02 | C01 | H10 | 109.8° | 109.5° |
| C02 | C01 | H11 | 109.8° | 109.5° |
| C01 | C02 | H12 | 108.9° | 109.5° |
| C01 | C02 | H13 | 108.9° | 109.4° |
| C18 | C17 | H4 | 109.7° | 109.4° |
| C18 | C17 | H5 | 109.7° | 109.5° |
| C17 | C18 | H30 | 108.7° | 109.4° |
| C17 | C18 | H31 | 108.7° | 109.5° |
| C04 | C05 | C06 | 108.3° | 109.5° |
| C05 | C04 | H16 | 109.9° | 109.5° |
| C05 | C04 | H17 | 109.9° | 109.5° |
| C04 | C05 | H18 | 109.8° | 109.5° |
| C04 | C05 | H19 | 109.8° | 109.5° |
| C05 | C06 | C07 | 110.0° | 109.5° |
| C06 | C05 | H18 | 109.8° | 109.4° |
| C06 | C05 | H19 | 109.8° | 109.5° |
| C05 | C06 | H20 | 109.4° | 109.4° |
| C05 | C06 | H21 | 109.3° | 109.5° |
| C06 | C07 | C08 | 111.8° | 109.4° |
| C07 | C06 | H20 | 109.3° | 109.5° |
| C07 | C06 | H21 | 109.3° | 109.4° |
| C06 | C07 | H22 | 108.9° | 109.5° |
| C06 | C07 | H23 | 108.9° | 109.4° |
| C07 | C08 | C09 | 104.8° | 109.5° |
| C08 | C07 | H22 | 108.9° | 109.5° |
| C08 | C07 | H23 | 108.9° | 109.5° |
| C07 | C08 | H24 | 110.6° | 109.5° |
| C07 | C08 | H25 | 110.6° | 109.5° |
| C08 | C09 | N10 | 125.4° | 126.6° |
| C08 | C09 | N13 | 123.1° | 126.5° |
| C09 | C08 | H24 | 110.7° | 109.4° |
| C09 | C08 | H25 | 110.6° | 109.5° |
| N10 | C09 | N13 | 111.4° | 106.9° |
| C09 | N10 | N11 | 106.3° | 107.4° |
| C09 | N13 | N12 | 107.5° | 107.9° |
| N10 | N11 | N12 | 108.3° | 108.7° |
| N13 | N12 | N11 | 106.5° | 109.1° |
| N13 | N12 | H1 | 126.8° | 125.5° |
| N11 | N12 | H1 | 126.8° | 125.4° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.5° |
| H20 | C06 | H21 | 109.5° | 109.5° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H24 | C08 | H25 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.4° | 109.4° |
| H38 | C33 | H39 | 109.4° | 109.4° |
| H40 | C34 | H41 | 109.5° | 109.5° |
| H42 | C36 | H43 | 109.5° | 109.5° |
| H44 | C37 | H45 | 109.5° | 109.5° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H49 | C44 | H50 | 109.5° | 109.4° |
| H51 | C45 | H52 | 109.5° | 109.5° |
| H54 | C50 | H55 | 109.5° | 109.5° |
| H56 | C51 | H57 | 109.4° | 109.5° |
| H58 | C55 | H59 | 109.5° | 109.5° |
| H60 | C56 | H61 | 109.5° | 109.5° |
| H62 | C58 | H63 | 109.4° | 109.5° |
| H64 | C59 | H65 | 109.5° | 109.5° |
| H66 | C61 | H67 | 109.4° | 109.4° |
| H69 | C66 | H70 | 109.5° | 109.5° |
| H71 | C67 | H72 | 109.4° | 109.5° |
| H73 | C68 | H74 | 109.5° | 109.5° |
| H75 | C69 | H76 | 109.5° | 109.4° |
| H77 | C73 | H78 | 109.5° | 109.5° |
| H79 | C75 | H80 | 109.5° | 109.5° |
| H81 | C76 | H82 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O77 | C76 | C75 | H81 | 119.8° | 120.1° |
| O77 | C76 | C75 | H82 | 119.8° | 120.0° |
| O77 | C76 | C75 | S74 | 128.5° | 180.0° |
| O77 | C76 | C75 | H79 | 111.5° | 60.0° |
| O77 | C76 | C75 | H80 | 8.5° | 60.0° |
| O77 | C76 | H81 | H82 | 120.5° | 120.0° |
| C76 | C75 | S74 | H79 | 120.0° | 119.9° |
| C76 | C75 | S74 | H80 | 120.0° | 120.0° |
| C76 | C75 | S74 | C73 | 175.4° | 180.0° |
| C76 | C75 | H79 | H80 | 120.0° | 120.0° |
| C75 | C76 | H81 | H82 | 120.5° | 119.9° |
| C75 | C76 | O77 | H90 | 180.0° | 180.0° |
| C75 | S74 | C73 | C71 | 112.8° | 180.0° |
| C75 | S74 | C73 | H77 | 7.2° | 60.0° |
| C75 | S74 | C73 | H78 | 127.2° | 60.1° |
| S74 | C75 | H79 | H80 | 119.9° | 120.0° |
| S74 | C75 | C76 | H81 | 8.7° | 59.9° |
| S74 | C75 | C76 | H82 | 111.7° | 60.0° |
| S74 | C73 | C71 | H77 | 120.0° | 120.0° |
| S74 | C73 | C71 | H78 | 120.0° | 120.0° |
| S74 | C73 | C71 | N70 | 26.9° | 180.0° |
| S74 | C73 | C71 | O72 | 153.1° | 0.0° |
| S74 | C73 | H77 | H78 | 119.9° | 120.0° |
| C73 | S74 | C75 | H79 | 64.6° | 60.1° |
| C73 | S74 | C75 | H80 | 55.3° | 60.0° |
| C73 | C71 | N70 | O72 | 179.9° | 180.0° |
| C73 | C71 | N70 | C69 | 180.0° | 180.0° |
| C71 | C73 | H77 | H78 | 120.0° | 120.0° |
| C73 | C71 | N70 | H89 | 0.1° | 0.0° |
| C71 | N70 | C69 | H89 | 180.0° | 180.0° |
| C71 | N70 | C69 | C68 | 151.2° | 180.0° |
| C71 | N70 | C69 | H75 | 31.1° | 59.9° |
| C71 | N70 | C69 | H76 | 88.7° | 60.0° |
| N70 | C71 | C73 | H77 | 93.1° | 60.0° |
| N70 | C71 | C73 | H78 | 146.9° | 60.1° |
| O72 | C71 | N70 | C69 | 0.0° | 0.0° |
| O72 | C71 | C73 | H77 | 86.9° | 120.0° |
| O72 | C71 | C73 | H78 | 33.1° | 120.0° |
| O72 | C71 | N70 | H89 | 180.0° | 180.0° |
| N70 | C69 | C68 | H75 | 120.1° | 120.0° |
| N70 | C69 | C68 | H76 | 120.1° | 120.0° |
| N70 | C69 | C68 | C67 | 154.1° | 180.0° |
| N70 | C69 | C68 | H73 | 85.5° | 60.0° |
| N70 | C69 | C68 | H74 | 33.7° | 60.0° |
| N70 | C69 | H75 | H76 | 119.6° | 120.0° |
| C69 | C68 | C67 | H73 | 120.5° | 120.0° |
| C69 | C68 | C67 | H74 | 120.4° | 120.0° |
| C69 | C68 | C67 | C66 | 120.1° | 180.0° |
| C69 | C68 | C67 | H71 | 0.4° | 60.1° |
| C69 | C68 | C67 | H72 | 119.5° | 60.0° |
| C69 | C68 | H73 | H74 | 118.7° | 120.0° |
| C68 | C69 | H75 | H76 | 119.6° | 120.0° |
| C68 | C69 | N70 | H89 | 28.8° | 0.0° |
| C68 | C67 | C66 | H71 | 120.5° | 120.0° |
| C68 | C67 | C66 | H72 | 120.5° | 120.0° |
| C68 | C67 | C66 | C65 | 178.5° | NaN° |
| C68 | C67 | C66 | H69 | 58.1° | 60.0° |
| C68 | C67 | C66 | H70 | 61.1° | 60.0° |
| C68 | C67 | H71 | H72 | 118.7° | 120.1° |
| C67 | C68 | H73 | H74 | 118.6° | 120.0° |
| C67 | C68 | C69 | H75 | 33.9° | 60.0° |
| C67 | C68 | C69 | H76 | 85.8° | 60.0° |
| C67 | C66 | C65 | H69 | 120.4° | 119.9° |
| C67 | C66 | C65 | H70 | 120.4° | 120.0° |
| C67 | C66 | C65 | C78 | 44.3° | 175.0° |
| C67 | C66 | C65 | N64 | 164.3° | 65.0° |
| C67 | C66 | C65 | H68 | 74.8° | 55.1° |
| C67 | C66 | H69 | H70 | 118.8° | 120.0° |
| C66 | C67 | H71 | H72 | 118.6° | 120.0° |
| C66 | C67 | C68 | H73 | 119.5° | 60.1° |
| C66 | C67 | C68 | H74 | 0.4° | 60.0° |
| C66 | C65 | C78 | O80 | 50.4° | 120.0° |
| C66 | C65 | C78 | N64 | 119.8° | 120.0° |
| C66 | C65 | C78 | H68 | 119.1° | 120.0° |
| C66 | C65 | N64 | H68 | 120.0° | 120.1° |
| C66 | C65 | C78 | O79 | 129.6° | 60.0° |
| C66 | C65 | N64 | C62 | 153.8° | 155.0° |
| C65 | C66 | H69 | H70 | 118.7° | 120.0° |
| C65 | C66 | C67 | H71 | 61.1° | 60.0° |
| C65 | C66 | C67 | H72 | 58.0° | 60.0° |
| C66 | C65 | N64 | H88 | 26.2° | 24.9° |
| O80 | C78 | C65 | O79 | 180.0° | 180.0° |
| O80 | C78 | C65 | N64 | 69.4° | 0.0° |
| O80 | C78 | C65 | H68 | 169.5° | 120.0° |
| O80 | C78 | O79 | H91 | 0.0° | 0.0° |
| C78 | C65 | N64 | H68 | 120.2° | 120.0° |
| C78 | C65 | N64 | C62 | 86.5° | 85.0° |
| C78 | C65 | C66 | H69 | 76.1° | 65.0° |
| C78 | C65 | C66 | H70 | 164.8° | 55.0° |
| C78 | C65 | N64 | H88 | 93.6° | 95.0° |
| C65 | C78 | O79 | H91 | 180.0° | 180.0° |
| N64 | C65 | C78 | O79 | 110.6° | 180.0° |
| C65 | N64 | C62 | H88 | 180.0° | 179.9° |
| C65 | N64 | C62 | O63 | 179.9° | 0.0° |
| C65 | N64 | C62 | C61 | 0.0° | 179.9° |
| N64 | C65 | C66 | H69 | 43.8° | 54.9° |
| N64 | C65 | C66 | H70 | 75.3° | 175.0° |
| O79 | C78 | C65 | H68 | 10.5° | 60.0° |
| N64 | C62 | O63 | C61 | 179.9° | 179.9° |
| N64 | C62 | C61 | O60 | 100.1° | 180.0° |
| N64 | C62 | C61 | H66 | 19.8° | 60.0° |
| N64 | C62 | C61 | H67 | 140.0° | 59.9° |
| C62 | N64 | C65 | H68 | 33.8° | 35.0° |
| O63 | C62 | C61 | O60 | 80.0° | 0.1° |
| O63 | C62 | C61 | H66 | 160.1° | 120.1° |
| O63 | C62 | C61 | H67 | 39.9° | 120.0° |
| O63 | C62 | N64 | H88 | 0.1° | 179.9° |
| C62 | C61 | O60 | H66 | 119.9° | 120.0° |
| C62 | C61 | O60 | H67 | 119.9° | 120.0° |
| C62 | C61 | O60 | C59 | 140.3° | 180.0° |
| C62 | C61 | H66 | H67 | 120.4° | 120.0° |
| C61 | C62 | N64 | H88 | 180.0° | 0.0° |
| O41 | C40 | C39 | N42 | 179.9° | 179.9° |
| O41 | C40 | C39 | O38 | 75.4° | 0.0° |
| O41 | C40 | N42 | C43 | 0.1° | 0.1° |
| O41 | C40 | C39 | H46 | 164.7° | 120.0° |
| O41 | C40 | C39 | H47 | 44.4° | 120.0° |
| O41 | C40 | N42 | H85 | 179.9° | 180.0° |
| C61 | O60 | C59 | C58 | 62.4° | 180.0° |
| C61 | O60 | C59 | H64 | 177.7° | 60.0° |
| C61 | O60 | C59 | H65 | 57.4° | 60.0° |
| O60 | C61 | H66 | H67 | 120.4° | 120.0° |
| O60 | C59 | C58 | H64 | 119.9° | 119.9° |
| O60 | C59 | C58 | H65 | 119.8° | 120.0° |
| O60 | C59 | C58 | O57 | 140.0° | 65.0° |
| O60 | C59 | C58 | H62 | 100.1° | 175.0° |
| O60 | C59 | C58 | H63 | 20.2° | 55.0° |
| O60 | C59 | H64 | H65 | 120.4° | 120.0° |
| C59 | O60 | C61 | H66 | 20.4° | 60.0° |
| C59 | O60 | C61 | H67 | 99.8° | 60.0° |
| C59 | C58 | O57 | H62 | 119.9° | 120.0° |
| C59 | C58 | O57 | H63 | 119.9° | 120.0° |
| C59 | C58 | O57 | C56 | 101.1° | 180.0° |
| C59 | C58 | H62 | H63 | 120.5° | 120.1° |
| C58 | C59 | H64 | H65 | 120.4° | 120.1° |
| C40 | C39 | O38 | H46 | 119.8° | 120.0° |
| C40 | C39 | O38 | H47 | 119.8° | 119.9° |
| C40 | C39 | O38 | C37 | 152.9° | 180.0° |
| C39 | C40 | N42 | C43 | 180.0° | 180.0° |
| C40 | C39 | H46 | H47 | 120.6° | 119.9° |
| C39 | C40 | N42 | H85 | 0.0° | 0.1° |
| O38 | C39 | C40 | N42 | 104.4° | 180.0° |
| C39 | O38 | C37 | C36 | 162.8° | 180.0° |
| C39 | O38 | C37 | H44 | 43.1° | 60.0° |
| C39 | O38 | C37 | H45 | 77.4° | 60.0° |
| O38 | C39 | H46 | H47 | 120.5° | 120.0° |
| C40 | N42 | C43 | C44 | 120.2° | 154.9° |
| C40 | N42 | C43 | H85 | 180.0° | 179.9° |
| C40 | N42 | C43 | C84 | 119.1° | 85.0° |
| N42 | C40 | C39 | H46 | 15.4° | 59.9° |
| N42 | C40 | C39 | H47 | 135.8° | 60.1° |
| C40 | N42 | C43 | H48 | 0.6° | 34.9° |
| C45 | C44 | C43 | H49 | 120.6° | 120.0° |
| C45 | C44 | C43 | H50 | 120.6° | 120.0° |
| C44 | C45 | C46 | H51 | 120.5° | 120.0° |
| C44 | C45 | C46 | H52 | 120.5° | 120.1° |
| C45 | C44 | C43 | N42 | 170.8° | 65.0° |
| C45 | C44 | C43 | C84 | 50.9° | 175.0° |
| C44 | C45 | C46 | O47 | 72.5° | 0.0° |
| C44 | C45 | C46 | N48 | 107.9° | 180.0° |
| C45 | C44 | C43 | H48 | 68.8° | 55.0° |
| C45 | C44 | H49 | H50 | 118.1° | 120.0° |
| C44 | C45 | H51 | H52 | 118.6° | 120.0° |
| C43 | C44 | C45 | C46 | 96.4° | 180.0° |
| C44 | C43 | N42 | C84 | 120.7° | 120.0° |
| C44 | C43 | N42 | H48 | 119.6° | 120.0° |
| C44 | C43 | C84 | H48 | 119.8° | 120.0° |
| C44 | C43 | C84 | O86 | 89.3° | 120.0° |
| C44 | C43 | C84 | O85 | 90.7° | 60.0° |
| C43 | C44 | H49 | H50 | 118.1° | 120.0° |
| C43 | C44 | C45 | H51 | 24.0° | 60.0° |
| C43 | C44 | C45 | H52 | 143.1° | 60.0° |
| C44 | C43 | N42 | H85 | 59.8° | 25.0° |
| C45 | C46 | O47 | N48 | 179.6° | 180.0° |
| C45 | C46 | N48 | C49 | 180.0° | 180.0° |
| C46 | C45 | C44 | H49 | 24.2° | 60.0° |
| C46 | C45 | C44 | H50 | 143.0° | 60.0° |
| C46 | C45 | H51 | H52 | 118.5° | 120.0° |
| C45 | C46 | N48 | H86 | 0.1° | 0.0° |
| O38 | C37 | C36 | H44 | 119.8° | 120.0° |
| O38 | C37 | C36 | H45 | 119.8° | 120.0° |
| O38 | C37 | C36 | O35 | 150.4° | 65.0° |
| O38 | C37 | C36 | H42 | 30.3° | 175.0° |
| O38 | C37 | C36 | H43 | 89.6° | 55.0° |
| O38 | C37 | H44 | H45 | 120.7° | 120.1° |
| C37 | O38 | C39 | H46 | 33.1° | 60.0° |
| C37 | O38 | C39 | H47 | 87.3° | 60.0° |
| N42 | C43 | C84 | H48 | 120.5° | 120.0° |
| N42 | C43 | C84 | O86 | 150.9° | 0.0° |
| N42 | C43 | C84 | O85 | 29.0° | 180.0° |
| N42 | C43 | C44 | H49 | 50.2° | 55.0° |
| N42 | C43 | C44 | H50 | 68.6° | 175.0° |
| C43 | C84 | O86 | O85 | 180.0° | 180.0° |
| C84 | C43 | C44 | H49 | 69.7° | 65.0° |
| C84 | C43 | C44 | H50 | 171.5° | 55.0° |
| C84 | C43 | N42 | H85 | 60.9° | 95.1° |
| C43 | C84 | O85 | H93 | 180.0° | 180.0° |
| C58 | O57 | C56 | C55 | 122.3° | 180.0° |
| C58 | O57 | C56 | H60 | 117.8° | 60.0° |
| C58 | O57 | C56 | H61 | 2.5° | 60.0° |
| O57 | C58 | H62 | H63 | 120.5° | 120.0° |
| O57 | C58 | C59 | H64 | 20.2° | 175.1° |
| O57 | C58 | C59 | H65 | 100.1° | 55.0° |
| C37 | C36 | O35 | H42 | 120.0° | 120.0° |
| C37 | C36 | O35 | H43 | 120.0° | 120.0° |
| C37 | C36 | O35 | C34 | 50.2° | 180.0° |
| C37 | C36 | H42 | H43 | 119.9° | 120.0° |
| C36 | C37 | H44 | H45 | 120.7° | 120.0° |
| O57 | C56 | C55 | H60 | 119.8° | 120.0° |
| O57 | C56 | C55 | H61 | 119.8° | 120.0° |
| O57 | C56 | C55 | N54 | 107.8° | 65.1° |
| O57 | C56 | C55 | H58 | 132.1° | 175.0° |
| O57 | C56 | C55 | H59 | 12.3° | 55.0° |
| O57 | C56 | H60 | H61 | 120.5° | 120.1° |
| C56 | O57 | C58 | H62 | 139.0° | 59.9° |
| C56 | O57 | C58 | H63 | 18.7° | 60.0° |
| O47 | C46 | N48 | C49 | 0.4° | 0.0° |
| O47 | C46 | C45 | H51 | 167.1° | 120.0° |
| O47 | C46 | C45 | H52 | 48.0° | 120.1° |
| O47 | C46 | N48 | H86 | 179.7° | 180.0° |
| C46 | N48 | C49 | H86 | 180.0° | 180.0° |
| C46 | N48 | C49 | C50 | 128.9° | 155.0° |
| C46 | N48 | C49 | C81 | 107.8° | 85.0° |
| N48 | C46 | C45 | H51 | 12.6° | 60.0° |
| N48 | C46 | C45 | H52 | 131.6° | 60.0° |
| C46 | N48 | C49 | H53 | 10.5° | 35.0° |
| C36 | O35 | C34 | C33 | 101.0° | 180.0° |
| C36 | O35 | C34 | H40 | 18.8° | 60.0° |
| C36 | O35 | C34 | H41 | 139.2° | 60.0° |
| O35 | C36 | H42 | H43 | 119.9° | 120.0° |
| O35 | C36 | C37 | H44 | 89.9° | 175.0° |
| O35 | C36 | C37 | H45 | 30.6° | 55.0° |
| O86 | C84 | C43 | H48 | 30.4° | 120.0° |
| O86 | C84 | O85 | H93 | 0.0° | 0.0° |
| O85 | C84 | C43 | H48 | 149.5° | 60.0° |
| O35 | C34 | C33 | H40 | 119.8° | 120.0° |
| O35 | C34 | C33 | H41 | 119.8° | 120.0° |
| O35 | C34 | C33 | N32 | 7.5° | 65.0° |
| O35 | C34 | C33 | H38 | 112.6° | 174.9° |
| O35 | C34 | C33 | H39 | 127.6° | 55.0° |
| O35 | C34 | H40 | H41 | 120.6° | 120.0° |
| C34 | O35 | C36 | H42 | 170.2° | 60.0° |
| C34 | O35 | C36 | H43 | 69.8° | 60.0° |
| C34 | C33 | N32 | H38 | 120.1° | 120.1° |
| C34 | C33 | N32 | H39 | 120.1° | 119.9° |
| C34 | C33 | N32 | C30 | 142.5° | 180.0° |
| C34 | C33 | H38 | H39 | 119.7° | 119.9° |
| C33 | C34 | H40 | H41 | 120.6° | 120.0° |
| C34 | C33 | N32 | H84 | 37.5° | 0.1° |
| C56 | C55 | N54 | H58 | 120.1° | 120.0° |
| C56 | C55 | N54 | H59 | 120.1° | 120.0° |
| C56 | C55 | N54 | C52 | 108.8° | 180.0° |
| C56 | C55 | H58 | H59 | 119.6° | 120.0° |
| C55 | C56 | H60 | H61 | 120.5° | 120.0° |
| C56 | C55 | N54 | H87 | 71.2° | 0.0° |
| C55 | N54 | C52 | H87 | 180.0° | 179.9° |
| C55 | N54 | C52 | O53 | 0.0° | 0.1° |
| C55 | N54 | C52 | C51 | 180.0° | 180.0° |
| N54 | C55 | H58 | H59 | 119.6° | 120.1° |
| N54 | C55 | C56 | H60 | 12.0° | 175.0° |
| N54 | C55 | C56 | H61 | 132.4° | 55.0° |
| N48 | C49 | C50 | C81 | 121.9° | 120.0° |
| N48 | C49 | C50 | H53 | 119.1° | 120.0° |
| N48 | C49 | C81 | H53 | 119.0° | 120.0° |
| N48 | C49 | C50 | C51 | 149.8° | 64.9° |
| N48 | C49 | C81 | O82 | 77.2° | 0.0° |
| N48 | C49 | C81 | O83 | 102.9° | 180.0° |
| N48 | C49 | C50 | H54 | 89.8° | 175.0° |
| N48 | C49 | C50 | H55 | 29.4° | 55.0° |
| N54 | C52 | O53 | C51 | 180.0° | 179.9° |
| N54 | C52 | C51 | C50 | 25.3° | 180.0° |
| N54 | C52 | C51 | H56 | 95.1° | 59.9° |
| N54 | C52 | C51 | H57 | 145.8° | 60.1° |
| C52 | N54 | C55 | H58 | 11.3° | 60.1° |
| C52 | N54 | C55 | H59 | 131.1° | 60.0° |
| C33 | N32 | C30 | H84 | 180.0° | 180.0° |
| C33 | N32 | C30 | O31 | 0.7° | 0.0° |
| C33 | N32 | C30 | C29 | 179.8° | 180.0° |
| N32 | C33 | H38 | H39 | 119.7° | 120.0° |
| N32 | C33 | C34 | H40 | 127.3° | 175.0° |
| N32 | C33 | C34 | H41 | 112.3° | 55.0° |
| C50 | C49 | C81 | H53 | 119.0° | 119.9° |
| C49 | C50 | C51 | C52 | 98.3° | 180.0° |
| C49 | C50 | C51 | H54 | 120.4° | 120.1° |
| C49 | C50 | C51 | H55 | 120.4° | 119.9° |
| C50 | C49 | C81 | O82 | 160.8° | 120.0° |
| C50 | C49 | C81 | O83 | 19.1° | 60.0° |
| C49 | C50 | H54 | H55 | 118.8° | 120.0° |
| C49 | C50 | C51 | H56 | 141.2° | 59.9° |
| C49 | C50 | C51 | H57 | 22.1° | 60.1° |
| C50 | C49 | N48 | H86 | 51.1° | 25.0° |
| C81 | C49 | C50 | C51 | 88.3° | 175.0° |
| C49 | C81 | O82 | O83 | 179.9° | 180.0° |
| C81 | C49 | C50 | H54 | 32.1° | 55.0° |
| C81 | C49 | C50 | H55 | 151.3° | 65.1° |
| C81 | C49 | N48 | H86 | 72.2° | 95.0° |
| C49 | C81 | O83 | H92 | 179.9° | 180.0° |
| O53 | C52 | C51 | C50 | 154.7° | 0.1° |
| O53 | C52 | C51 | H56 | 84.9° | 120.0° |
| O53 | C52 | C51 | H57 | 34.2° | 120.0° |
| O53 | C52 | N54 | H87 | 180.0° | 180.0° |
| C52 | C51 | C50 | H56 | 120.4° | 120.1° |
| C52 | C51 | C50 | H57 | 120.5° | 119.9° |
| C52 | C51 | C50 | H54 | 141.3° | 59.9° |
| C52 | C51 | C50 | H55 | 22.0° | 60.1° |
| C52 | C51 | H56 | H57 | 118.7° | 120.0° |
| C51 | C52 | N54 | H87 | 0.1° | 0.1° |
| N32 | C30 | O31 | C29 | 179.5° | 180.0° |
| N32 | C30 | C29 | C28 | 115.7° | 180.0° |
| N32 | C30 | C29 | H36 | 4.9° | 60.0° |
| N32 | C30 | C29 | H37 | 123.8° | 60.0° |
| C30 | N32 | C33 | H38 | 97.3° | 59.9° |
| C30 | N32 | C33 | H39 | 22.5° | 60.0° |
| C51 | C50 | C49 | H53 | 30.7° | 55.1° |
| C51 | C50 | H54 | H55 | 118.8° | 119.9° |
| C50 | C51 | H56 | H57 | 118.7° | 120.0° |
| O82 | C81 | C49 | H53 | 41.9° | 120.1° |
| O82 | C81 | O83 | H92 | 0.0° | 0.0° |
| O83 | C81 | C49 | H53 | 138.1° | 60.0° |
| O31 | C30 | C29 | C28 | 64.9° | 0.0° |
| O31 | C30 | C29 | H36 | 174.6° | 120.0° |
| O31 | C30 | C29 | H37 | 55.7° | 120.0° |
| O31 | C30 | N32 | H84 | 179.3° | 180.0° |
| C30 | C29 | C28 | H36 | 120.6° | 120.0° |
| C30 | C29 | C28 | H37 | 120.6° | 120.0° |
| C30 | C29 | C28 | C27 | 164.5° | 180.0° |
| C30 | C29 | C28 | H8 | 75.1° | 60.0° |
| C30 | C29 | C28 | H9 | 44.1° | 60.0° |
| C30 | C29 | H36 | H37 | 118.3° | 120.0° |
| C29 | C30 | N32 | H84 | 0.2° | 0.0° |
| C29 | C28 | C27 | H8 | 120.4° | 120.0° |
| C29 | C28 | C27 | H9 | 120.4° | 120.0° |
| C29 | C28 | C27 | S24 | 143.0° | 180.0° |
| C29 | C28 | H8 | H9 | 118.9° | 120.0° |
| C29 | C28 | C27 | H34 | 96.9° | 60.0° |
| C29 | C28 | C27 | H35 | 22.8° | 60.0° |
| C28 | C29 | H36 | H37 | 118.3° | 120.0° |
| C28 | C27 | S24 | O26 | 61.9° | 68.3° |
| C28 | C27 | S24 | H34 | 120.2° | 120.0° |
| C28 | C27 | S24 | H35 | 120.2° | 120.0° |
| C28 | C27 | S24 | O25 | 177.2° | 68.4° |
| C28 | C27 | S24 | N23 | 60.1° | 180.0° |
| C27 | C28 | H8 | H9 | 118.8° | 119.9° |
| C28 | C27 | H34 | H35 | 119.5° | 120.0° |
| C27 | C28 | C29 | H36 | 44.0° | 60.0° |
| C27 | C28 | C29 | H37 | 74.9° | 60.0° |
| O26 | S24 | C27 | O25 | 115.3° | 136.7° |
| O26 | S24 | C27 | N23 | 122.0° | 111.7° |
| O26 | S24 | O25 | N23 | 120.2° | 116.8° |
| O26 | S24 | N23 | C21 | 5.5° | 179.0° |
| O26 | S24 | C27 | H34 | 58.3° | 51.6° |
| O26 | S24 | C27 | H35 | 177.9° | 171.6° |
| O26 | S24 | N23 | H83 | 174.5° | 1.1° |
| C27 | S24 | O25 | N23 | 120.8° | 111.8° |
| C27 | S24 | N23 | C21 | 127.1° | 65.0° |
| S24 | C27 | C28 | H8 | 22.6° | 60.0° |
| S24 | C27 | C28 | H9 | 96.6° | 60.0° |
| S24 | C27 | H34 | H35 | 119.5° | 120.0° |
| C27 | S24 | N23 | H83 | 52.9° | 115.0° |
| O25 | S24 | N23 | C21 | 110.8° | 51.1° |
| O25 | S24 | C27 | H34 | 57.1° | 171.7° |
| O25 | S24 | C27 | H35 | 62.6° | 51.7° |
| O25 | S24 | N23 | H83 | 69.3° | 129.0° |
| S24 | N23 | C21 | O22 | 0.8° | 0.1° |
| S24 | N23 | C21 | H83 | 180.0° | 179.9° |
| S24 | N23 | C21 | C20 | 178.9° | 180.0° |
| N23 | S24 | C27 | H34 | 179.8° | 60.0° |
| N23 | S24 | C27 | H35 | 60.1° | 60.0° |
| O22 | C21 | N23 | C20 | 179.7° | 180.0° |
| O22 | C21 | C20 | C19 | 18.8° | 0.0° |
| O22 | C21 | C20 | H6 | 101.5° | 120.0° |
| O22 | C21 | C20 | H7 | 139.2° | 120.0° |
| O22 | C21 | N23 | H83 | 179.2° | 180.0° |
| N23 | C21 | C20 | C19 | 160.9° | 179.9° |
| N23 | C21 | C20 | H6 | 78.8° | 60.0° |
| N23 | C21 | C20 | H7 | 40.6° | 60.0° |
| C21 | C20 | C19 | H6 | 120.3° | 120.0° |
| C21 | C20 | C19 | H7 | 120.3° | 120.0° |
| C21 | C20 | C19 | C18 | 143.5° | 180.0° |
| C21 | C20 | H6 | H7 | 119.1° | 120.0° |
| C21 | C20 | C19 | H32 | 96.0° | 60.0° |
| C21 | C20 | C19 | H33 | 23.0° | 60.0° |
| C20 | C21 | N23 | H83 | 1.1° | 0.1° |
| C20 | C19 | C18 | H32 | 120.5° | 120.0° |
| C20 | C19 | C18 | H33 | 120.5° | 120.0° |
| C20 | C19 | C18 | C17 | 106.5° | 179.9° |
| C19 | C20 | H6 | H7 | 119.1° | 120.0° |
| C20 | C19 | C18 | H30 | 14.0° | 60.0° |
| C20 | C19 | C18 | H31 | 133.1° | 60.0° |
| C20 | C19 | H32 | H33 | 118.5° | 120.0° |
| C19 | C18 | C17 | C16 | 89.2° | 180.0° |
| C19 | C18 | C17 | H30 | 120.5° | 119.9° |
| C19 | C18 | C17 | H31 | 120.4° | 120.0° |
| C19 | C18 | C17 | H4 | 151.0° | 60.1° |
| C19 | C18 | C17 | H5 | 30.7° | 59.9° |
| C18 | C19 | C20 | H6 | 23.2° | 60.0° |
| C18 | C19 | C20 | H7 | 96.2° | 60.0° |
| C19 | C18 | H30 | H31 | 118.6° | 120.0° |
| C18 | C19 | H32 | H33 | 118.5° | 120.0° |
| C15 | C16 | C17 | H28 | 120.6° | 120.0° |
| C15 | C16 | C17 | H29 | 120.6° | 120.0° |
| C16 | C15 | C14 | H2 | 119.7° | 120.1° |
| C16 | C15 | C14 | H3 | 119.7° | 120.0° |
| C16 | C15 | C14 | C01 | 170.3° | 180.0° |
| C15 | C16 | C17 | C18 | 166.2° | 180.0° |
| C16 | C15 | H2 | H3 | 121.0° | 120.0° |
| C15 | C16 | C17 | H4 | 46.3° | 60.0° |
| C15 | C16 | C17 | H5 | 73.9° | 60.0° |
| C16 | C15 | C14 | H26 | 69.0° | 60.0° |
| C16 | C15 | C14 | H27 | 49.6° | 60.0° |
| C15 | C16 | H28 | H29 | 118.2° | 120.0° |
| C17 | C16 | C15 | C14 | 150.6° | 179.9° |
| C16 | C17 | C18 | H4 | 119.9° | 119.9° |
| C16 | C17 | C18 | H5 | 119.9° | 120.1° |
| C17 | C16 | C15 | H2 | 89.7° | 60.0° |
| C17 | C16 | C15 | H3 | 31.0° | 60.0° |
| C16 | C17 | H4 | H5 | 120.3° | 120.0° |
| C17 | C16 | H28 | H29 | 118.2° | 120.0° |
| C16 | C17 | C18 | H30 | 150.3° | 60.1° |
| C16 | C17 | C18 | H31 | 31.3° | 59.9° |
| C15 | C14 | C01 | H26 | 120.7° | 120.0° |
| C15 | C14 | C01 | H27 | 120.7° | 120.0° |
| C15 | C14 | C01 | C02 | 172.8° | 179.9° |
| C14 | C15 | H2 | H3 | 121.0° | 119.9° |
| C15 | C14 | C01 | H10 | 67.4° | 59.9° |
| C15 | C14 | C01 | H11 | 53.0° | 60.0° |
| C15 | C14 | H26 | H27 | 117.8° | 120.0° |
| C14 | C15 | C16 | H28 | 88.8° | 59.9° |
| C14 | C15 | C16 | H29 | 30.1° | 60.0° |
| C14 | C01 | C02 | C03 | 168.5° | 180.0° |
| C14 | C01 | C02 | H10 | 119.8° | 120.0° |
| C14 | C01 | C02 | H11 | 119.8° | 120.0° |
| C01 | C14 | C15 | H2 | 50.6° | 59.9° |
| C01 | C14 | C15 | H3 | 70.0° | 60.0° |
| C14 | C01 | H10 | H11 | 120.6° | 119.9° |
| C14 | C01 | C02 | H12 | 48.1° | 60.0° |
| C14 | C01 | C02 | H13 | 71.2° | 60.0° |
| C01 | C14 | H26 | H27 | 117.8° | 120.0° |
| C02 | C03 | C04 | H14 | 120.0° | 120.0° |
| C02 | C03 | C04 | H15 | 120.0° | 119.9° |
| C03 | C02 | C01 | H12 | 120.4° | 120.1° |
| C03 | C02 | C01 | H13 | 120.4° | 119.9° |
| C02 | C03 | C04 | C05 | 73.4° | 179.9° |
| C03 | C02 | C01 | H10 | 48.7° | 60.1° |
| C03 | C02 | C01 | H11 | 71.7° | 60.0° |
| C03 | C02 | H12 | H13 | 118.9° | 120.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | C04 | H16 | 166.8° | 59.9° |
| C02 | C03 | C04 | H17 | 46.3° | 60.0° |
| C04 | C03 | C02 | C01 | 63.7° | 180.0° |
| C03 | C04 | C05 | H16 | 119.7° | 120.0° |
| C03 | C04 | C05 | H17 | 119.7° | 120.0° |
| C03 | C04 | C05 | C06 | 120.1° | 180.0° |
| C04 | C03 | C02 | H12 | 175.9° | 59.9° |
| C04 | C03 | C02 | H13 | 56.7° | 60.1° |
| C04 | C03 | H14 | H15 | 120.0° | 120.0° |
| C03 | C04 | H16 | H17 | 120.8° | 119.9° |
| C03 | C04 | C05 | H18 | 0.3° | 60.0° |
| C03 | C04 | C05 | H19 | 120.1° | 60.0° |
| C02 | C01 | H10 | H11 | 120.6° | 120.1° |
| C01 | C02 | H12 | H13 | 118.9° | 120.0° |
| C01 | C02 | C03 | H14 | 176.3° | 60.0° |
| C01 | C02 | C03 | H15 | 56.3° | 60.1° |
| C02 | C01 | C14 | H26 | 52.1° | 60.0° |
| C02 | C01 | C14 | H27 | 66.5° | 60.0° |
| C18 | C17 | H4 | H5 | 120.4° | 120.0° |
| C18 | C17 | C16 | H28 | 73.2° | 60.1° |
| C18 | C17 | C16 | H29 | 45.6° | 59.9° |
| C17 | C18 | H30 | H31 | 118.6° | 120.0° |
| C17 | C18 | C19 | H32 | 133.1° | 60.0° |
| C17 | C18 | C19 | H33 | 14.1° | 60.0° |
| C04 | C05 | C06 | H18 | 119.8° | 120.0° |
| C04 | C05 | C06 | H19 | 119.8° | 120.0° |
| C04 | C05 | C06 | C07 | 130.5° | 180.0° |
| C05 | C04 | C03 | H14 | 46.6° | 60.0° |
| C05 | C04 | C03 | H15 | 166.6° | 60.0° |
| C05 | C04 | H16 | H17 | 120.8° | 120.1° |
| C04 | C05 | H18 | H19 | 120.5° | 120.0° |
| C04 | C05 | C06 | H20 | 10.4° | 60.1° |
| C04 | C05 | C06 | H21 | 109.4° | 60.0° |
| C05 | C06 | C07 | H20 | 120.1° | 119.9° |
| C05 | C06 | C07 | H21 | 120.1° | 120.0° |
| C05 | C06 | C07 | C08 | 152.2° | 180.0° |
| C06 | C05 | C04 | H16 | 120.1° | 60.0° |
| C06 | C05 | C04 | H17 | 0.4° | 60.0° |
| C06 | C05 | H18 | H19 | 120.5° | 120.0° |
| C05 | C06 | H20 | H21 | 119.8° | 120.1° |
| C05 | C06 | C07 | H22 | 87.4° | 60.0° |
| C05 | C06 | C07 | H23 | 31.9° | 60.0° |
| C06 | C07 | C08 | H22 | 120.4° | 120.0° |
| C06 | C07 | C08 | H23 | 120.3° | 120.0° |
| C06 | C07 | C08 | C09 | 140.1° | 180.0° |
| C07 | C06 | C05 | H18 | 109.7° | 60.0° |
| C07 | C06 | C05 | H19 | 10.6° | 60.0° |
| C07 | C06 | H20 | H21 | 119.8° | 120.0° |
| C06 | C07 | H22 | H23 | 118.9° | 120.0° |
| C06 | C07 | C08 | H24 | 20.8° | 60.0° |
| C06 | C07 | C08 | H25 | 100.7° | 60.0° |
| C07 | C08 | C09 | H24 | 119.3° | 120.0° |
| C07 | C08 | C09 | H25 | 119.2° | 120.0° |
| C07 | C08 | C09 | N10 | 141.2° | 90.0° |
| C07 | C08 | C09 | N13 | 37.0° | 90.0° |
| C08 | C07 | C06 | H20 | 32.1° | 60.1° |
| C08 | C07 | C06 | H21 | 87.7° | 60.0° |
| C08 | C07 | H22 | H23 | 118.9° | 120.1° |
| C07 | C08 | H24 | H25 | 122.2° | 120.1° |
| C08 | C09 | N10 | N13 | 178.4° | 180.0° |
| C08 | C09 | N10 | N11 | 178.8° | 180.0° |
| C08 | C09 | N13 | N12 | 178.7° | 179.8° |
| C09 | C08 | C07 | H22 | 99.5° | 60.0° |
| C09 | C08 | C07 | H23 | 19.8° | 60.0° |
| C09 | C08 | H24 | H25 | 122.2° | 120.0° |
| N10 | C09 | N13 | N12 | 0.3° | 0.2° |
| C09 | N10 | N11 | N12 | 0.3° | 0.1° |
| N10 | C09 | C08 | H24 | 21.9° | 30.0° |
| N10 | C09 | C08 | H25 | 99.5° | 150.0° |
| N13 | C09 | N10 | N11 | 0.4° | 0.0° |
| C09 | N13 | N12 | N11 | 0.0° | 0.2° |
| C09 | N13 | N12 | H1 | 179.9° | 180.0° |
| N13 | C09 | C08 | H24 | 156.3° | 150.0° |
| N13 | C09 | C08 | H25 | 82.2° | 30.0° |
| N10 | N11 | N12 | N13 | 0.2° | 0.2° |
| N10 | N11 | N12 | H1 | 179.8° | 180.0° |
| N13 | N12 | N11 | H1 | 180.0° | 179.8° |
| H2 | C15 | C14 | H26 | 171.4° | 60.1° |
| H2 | C15 | C14 | H27 | 70.1° | 180.0° |
| H2 | C15 | C16 | H28 | 30.9° | 180.0° |
| H2 | C15 | C16 | H29 | 149.7° | 60.1° |
| H3 | C15 | C14 | H26 | 50.7° | 180.0° |
| H3 | C15 | C14 | H27 | 169.2° | 60.0° |
| H3 | C15 | C16 | H28 | 151.6° | 60.0° |
| H3 | C15 | C16 | H29 | 89.6° | 179.9° |
| H4 | C17 | C16 | H28 | 166.9° | 180.0° |
| H4 | C17 | C16 | H29 | 74.2° | 60.0° |
| H4 | C17 | C18 | H30 | 30.5° | 180.0° |
| H4 | C17 | C18 | H31 | 88.6° | 60.0° |
| H5 | C17 | C16 | H28 | 46.7° | 60.0° |
| H5 | C17 | C16 | H29 | 165.6° | 180.0° |
| H5 | C17 | C18 | H30 | 89.8° | 60.0° |
| H5 | C17 | C18 | H31 | 151.1° | 180.0° |
| H6 | C20 | C19 | H32 | 143.7° | 180.0° |
| H6 | C20 | C19 | H33 | 97.3° | 60.0° |
| H7 | C20 | C19 | H32 | 24.3° | 60.0° |
| H7 | C20 | C19 | H33 | 143.3° | 180.0° |
| H8 | C28 | C27 | H34 | 142.7° | 60.0° |
| H8 | C28 | C27 | H35 | 97.6° | 180.0° |
| H8 | C28 | C29 | H36 | 164.3° | 180.0° |
| H8 | C28 | C29 | H37 | 45.5° | 60.0° |
| H9 | C28 | C27 | H34 | 23.5° | 180.0° |
| H9 | C28 | C27 | H35 | 143.2° | 60.0° |
| H9 | C28 | C29 | H36 | 76.4° | 60.0° |
| H9 | C28 | C29 | H37 | 164.7° | 180.0° |
| H10 | C01 | C02 | H12 | 71.7° | 60.0° |
| H10 | C01 | C02 | H13 | 169.0° | 180.0° |
| H10 | C01 | C14 | H26 | 171.9° | 60.0° |
| H10 | C01 | C14 | H27 | 53.3° | 180.0° |
| H11 | C01 | C02 | H12 | 167.9° | 180.0° |
| H11 | C01 | C02 | H13 | 48.6° | 60.0° |
| H11 | C01 | C14 | H26 | 67.7° | 180.0° |
| H11 | C01 | C14 | H27 | 173.7° | 60.0° |
| H12 | C02 | C03 | H14 | 56.0° | 179.9° |
| H12 | C02 | C03 | H15 | 64.0° | 60.0° |
| H13 | C02 | C03 | H14 | 63.3° | 59.9° |
| H13 | C02 | C03 | H15 | 176.7° | 180.0° |
| H14 | C03 | C04 | H16 | 73.2° | 180.0° |
| H14 | C03 | C04 | H17 | 166.3° | 60.0° |
| H15 | C03 | C04 | H16 | 46.8° | 60.0° |
| H15 | C03 | C04 | H17 | 73.7° | 180.0° |
| H16 | C04 | C05 | H18 | 120.0° | 180.0° |
| H16 | C04 | C05 | H19 | 0.3° | 60.0° |
| H17 | C04 | C05 | H18 | 119.4° | 60.0° |
| H17 | C04 | C05 | H19 | 120.2° | 180.0° |
| H18 | C05 | C06 | H20 | 130.2° | 180.0° |
| H18 | C05 | C06 | H21 | 10.4° | 60.0° |
| H19 | C05 | C06 | H20 | 109.4° | 60.0° |
| H19 | C05 | C06 | H21 | 130.7° | 180.0° |
| H20 | C06 | C07 | H22 | 152.5° | 179.9° |
| H20 | C06 | C07 | H23 | 88.2° | 60.0° |
| H21 | C06 | C07 | H22 | 32.7° | 60.0° |
| H21 | C06 | C07 | H23 | 152.0° | 180.0° |
| H22 | C07 | C08 | H24 | 141.2° | 180.0° |
| H22 | C07 | C08 | H25 | 19.7° | 60.0° |
| H23 | C07 | C08 | H24 | 99.5° | 60.0° |
| H23 | C07 | C08 | H25 | 139.0° | 180.0° |
| H30 | C18 | C19 | H32 | 106.5° | 60.0° |
| H30 | C18 | C19 | H33 | 134.5° | 180.0° |
| H31 | C18 | C19 | H32 | 12.6° | 180.0° |
| H31 | C18 | C19 | H33 | 106.4° | 60.0° |
| H38 | C33 | C34 | H40 | 7.2° | 54.9° |
| H38 | C33 | C34 | H41 | 127.6° | 65.1° |
| H38 | C33 | N32 | H84 | 82.7° | 120.0° |
| H39 | C33 | C34 | H40 | 112.6° | 65.0° |
| H39 | C33 | C34 | H41 | 7.8° | 175.0° |
| H39 | C33 | N32 | H84 | 157.5° | 120.0° |
| H42 | C36 | C37 | H44 | 150.1° | 55.0° |
| H42 | C36 | C37 | H45 | 89.4° | 65.0° |
| H43 | C36 | C37 | H44 | 30.2° | 65.0° |
| H43 | C36 | C37 | H45 | 150.6° | 175.0° |
| H48 | C43 | C44 | H49 | 170.6° | 175.1° |
| H48 | C43 | C44 | H50 | 51.8° | 65.0° |
| H48 | C43 | N42 | H85 | 179.4° | 145.0° |
| H49 | C44 | C45 | H51 | 144.6° | 180.0° |
| H49 | C44 | C45 | H52 | 96.3° | 60.0° |
| H50 | C44 | C45 | H51 | 96.6° | 60.0° |
| H50 | C44 | C45 | H52 | 22.5° | 180.0° |
| H53 | C49 | C50 | H54 | 151.1° | 65.0° |
| H53 | C49 | C50 | H55 | 89.7° | 175.0° |
| H53 | C49 | N48 | H86 | 169.5° | 145.0° |
| H54 | C50 | C51 | H56 | 20.9° | 180.0° |
| H54 | C50 | C51 | H57 | 98.3° | 60.0° |
| H55 | C50 | C51 | H56 | 98.4° | 60.0° |
| H55 | C50 | C51 | H57 | 142.5° | 180.0° |
| H58 | C55 | C56 | H60 | 108.1° | 55.0° |
| H58 | C55 | C56 | H61 | 12.2° | 65.0° |
| H58 | C55 | N54 | H87 | 168.7° | 120.0° |
| H59 | C55 | C56 | H60 | 132.1° | 65.0° |
| H59 | C55 | C56 | H61 | 107.5° | 175.0° |
| H59 | C55 | N54 | H87 | 49.0° | 120.0° |
| H62 | C58 | C59 | H64 | 140.0° | 55.1° |
| H62 | C58 | C59 | H65 | 19.7° | 65.0° |
| H63 | C58 | C59 | H64 | 99.7° | 65.0° |
| H63 | C58 | C59 | H65 | 140.0° | 175.0° |
| H68 | C65 | C66 | H69 | 164.8° | 175.0° |
| H68 | C65 | C66 | H70 | 45.6° | 65.0° |
| H68 | C65 | N64 | H88 | 146.2° | 145.0° |
| H69 | C66 | C67 | H71 | 178.5° | 180.0° |
| H69 | C66 | C67 | H72 | 62.4° | 60.0° |
| H70 | C66 | C67 | H71 | 59.3° | 60.0° |
| H70 | C66 | C67 | H72 | 178.4° | 180.0° |
| H71 | C67 | C68 | H73 | 120.1° | 180.0° |
| H71 | C67 | C68 | H74 | 120.8° | 59.9° |
| H72 | C67 | C68 | H73 | 1.0° | 60.0° |
| H72 | C67 | C68 | H74 | 120.1° | 180.0° |
| H73 | C68 | C69 | H75 | 154.3° | 179.9° |
| H73 | C68 | C69 | H76 | 34.6° | 60.0° |
| H74 | C68 | C69 | H75 | 86.5° | 60.0° |
| H74 | C68 | C69 | H76 | 153.8° | 180.0° |
| H75 | C69 | N70 | H89 | 148.9° | 120.0° |
| H76 | C69 | N70 | H89 | 91.3° | 120.0° |
| H79 | C75 | C76 | H81 | 128.7° | 60.0° |
| H79 | C75 | C76 | H82 | 8.3° | 179.9° |
| H80 | C75 | C76 | H81 | 111.3° | 180.0° |
| H80 | C75 | C76 | H82 | 128.3° | 60.0° |
| H81 | C76 | O77 | H90 | 60.2° | 60.0° |
| H82 | C76 | O77 | H90 | 60.1° | 60.0° |
