600
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.48Å | Aromatic |
| C4 | C30 | sing | 1.51Å | 1.60Å | |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C11 | C35 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C52 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.45Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.38Å | 1.44Å | Aromatic |
| C21 | C32 | sing | 1.51Å | 1.61Å | |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.39Å | 1.44Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
| C24 | C68 | sing | 1.48Å | 1.52Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.57Å | |
| C30 | C35 | sing | 1.53Å | 1.62Å | |
| N31 | C43 | sing | 1.37Å | 1.45Å | Aromatic |
| N31 | N47 | sing | 1.40Å | 1.37Å | Aromatic |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | doub | 1.36Å | 1.43Å | Aromatic |
| C40 | C45 | sing | 1.39Å | 1.45Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.40Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | doub | 1.41Å | 1.48Å | Aromatic |
| C42 | N46 | sing | 1.35Å | 1.34Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.44Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.45Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | H45 | sing | 1.08Å | 1.10Å | |
| N46 | N47 | doub | 1.29Å | 1.34Å | Aromatic |
| C52 | F53 | sing | 1.40Å | 1.35Å | |
| C52 | F54 | sing | 1.40Å | 1.36Å | |
| C52 | P55 | sing | 1.82Å | 1.83Å | |
| P55 | O56 | sing | 1.61Å | 1.52Å | |
| P55 | O57 | sing | 1.61Å | 1.46Å | |
| P55 | O58 | doub | 1.48Å | 1.52Å | |
| O56 | H56 | sing | 0.97Å | 0.95Å | |
| O57 | H57 | sing | 0.97Å | 0.95Å | |
| C61 | C64 | doub | 1.40Å | 1.46Å | Aromatic |
| C61 | C68 | sing | 1.38Å | 1.46Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C62 | C63 | doub | 1.37Å | 1.43Å | Aromatic |
| C62 | C67 | sing | 1.39Å | 1.47Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | sing | 1.41Å | 1.45Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | sing | 1.42Å | 1.49Å | Aromatic |
| C65 | N66 | sing | 1.34Å | 1.38Å | Aromatic |
| C65 | C70 | doub | 1.41Å | 1.42Å | Aromatic |
| N66 | C67 | doub | 1.31Å | 1.35Å | Aromatic |
| C67 | C71 | sing | 1.51Å | 1.42Å | |
| C68 | C69 | doub | 1.40Å | 1.41Å | Aromatic |
| C69 | C70 | sing | 1.36Å | 1.39Å | Aromatic |
| C69 | H69 | sing | 1.08Å | 1.10Å | |
| C70 | P79 | sing | 1.81Å | 1.79Å | |
| P79 | O80 | sing | 1.61Å | 1.52Å | |
| P79 | O81 | sing | 1.61Å | 1.45Å | |
| P79 | O82 | doub | 1.48Å | 1.53Å | |
| O80 | H80 | sing | 0.97Å | 0.95Å | |
| O81 | H81 | sing | 0.97Å | 0.95Å | |
| C76 | O77 | sing | 1.43Å | 1.27Å | |
| C76 | H761 | sing | 1.09Å | 1.11Å | |
| C76 | H762 | sing | 1.09Å | 1.12Å | |
| C76 | H763 | sing | 1.09Å | 1.11Å | |
| O77 | C71 | sing | 1.43Å | 1.30Å | |
| C71 | C72 | sing | 1.53Å | 1.51Å | |
| C71 | H71 | sing | 1.09Å | 1.11Å | |
| C72 | C73 | sing | 1.53Å | 1.46Å | |
| C72 | H721 | sing | 1.09Å | 1.11Å | |
| C72 | H722 | sing | 1.09Å | 1.11Å | |
| C73 | C74 | sing | 1.53Å | 1.51Å | |
| C73 | C75 | sing | 1.53Å | 1.54Å | |
| C73 | H73 | sing | 1.09Å | 1.11Å | |
| C74 | H741 | sing | 1.09Å | 1.11Å | |
| C74 | H742 | sing | 1.09Å | 1.11Å | |
| C74 | H743 | sing | 1.09Å | 1.12Å | |
| C75 | H751 | sing | 1.09Å | 1.11Å | |
| C75 | H752 | sing | 1.09Å | 1.11Å | |
| C75 | H753 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.8° | 119.9° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.9° | 120.0° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| C6 | C1 | H1 | 119.2° | 120.0° |
| C1 | C6 | C5 | 118.8° | 120.0° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C3 | C2 | H2 | 119.2° | 120.0° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C2 | C3 | H3 | 118.5° | 120.0° |
| C4 | C3 | H3 | 120.7° | 120.0° |
| C3 | C4 | C5 | 116.5° | 120.0° |
| C3 | C4 | C30 | 121.7° | 120.0° |
| C5 | C4 | C30 | 121.8° | 120.0° |
| C4 | C5 | C6 | 122.2° | 120.0° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C4 | C30 | N31 | 108.8° | 109.5° |
| C4 | C30 | C32 | 110.5° | 109.5° |
| C4 | C30 | C35 | 108.2° | 109.4° |
| C6 | C5 | H5 | 117.3° | 120.1° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| C11 | C10 | C15 | 122.2° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | 117.2° | 120.0° |
| C10 | C11 | C35 | 121.2° | 120.0° |
| C15 | C10 | H10 | 117.2° | 120.0° |
| C10 | C15 | C14 | 120.4° | 120.0° |
| C10 | C15 | H15 | 119.4° | 120.0° |
| C12 | C11 | C35 | 121.6° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | C35 | C30 | 119.6° | 109.5° |
| C11 | C35 | H351 | 108.6° | 109.5° |
| C11 | C35 | H352 | 108.6° | 109.5° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | C52 | 122.0° | 120.0° |
| C15 | C14 | C52 | 118.5° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C14 | C52 | F53 | 108.7° | 109.4° |
| C14 | C52 | F54 | 109.1° | 109.5° |
| C14 | C52 | P55 | 112.0° | 109.5° |
| C21 | C20 | C25 | 120.0° | 120.2° |
| C21 | C20 | H20 | 121.1° | 119.9° |
| C20 | C21 | C22 | 118.4° | 120.2° |
| C20 | C21 | C32 | 117.9° | 119.9° |
| C25 | C20 | H20 | 118.9° | 119.9° |
| C20 | C25 | C24 | 121.3° | 119.8° |
| C20 | C25 | H25 | 118.8° | 120.1° |
| C22 | C21 | C32 | 123.7° | 119.8° |
| C21 | C22 | C23 | 121.3° | 120.1° |
| C21 | C22 | H22 | 120.0° | 119.9° |
| C21 | C32 | C30 | 123.5° | 109.5° |
| C21 | C32 | H321 | 107.2° | 109.4° |
| C21 | C32 | H322 | 107.2° | 109.5° |
| C23 | C22 | H22 | 118.7° | 120.0° |
| C22 | C23 | C24 | 120.6° | 119.9° |
| C22 | C23 | H23 | 118.9° | 120.0° |
| C24 | C23 | H23 | 120.6° | 120.0° |
| C23 | C24 | C25 | 118.4° | 119.7° |
| C23 | C24 | C68 | 124.0° | 120.2° |
| C25 | C24 | C68 | 117.5° | 120.1° |
| C24 | C25 | H25 | 119.9° | 120.1° |
| C24 | C68 | C61 | 122.1° | 119.8° |
| C24 | C68 | C69 | 116.3° | 119.8° |
| N31 | C30 | C32 | 108.9° | 109.5° |
| N31 | C30 | C35 | 113.3° | 109.5° |
| C30 | N31 | C43 | 128.7° | 126.8° |
| C30 | N31 | N47 | 117.7° | 126.7° |
| C32 | C30 | C35 | 107.1° | 109.5° |
| C30 | C32 | H321 | 107.2° | 109.5° |
| C30 | C32 | H322 | 107.2° | 109.5° |
| C30 | C35 | H351 | 108.6° | 109.4° |
| C30 | C35 | H352 | 108.6° | 109.5° |
| C43 | N31 | N47 | 113.7° | 106.5° |
| N31 | C43 | C42 | 102.2° | 106.1° |
| N31 | C43 | C44 | 139.4° | 133.9° |
| N31 | N47 | N46 | 101.4° | 109.4° |
| H321 | C32 | H322 | 102.5° | 109.4° |
| H351 | C35 | H352 | 101.4° | 109.5° |
| C41 | C40 | C45 | 120.2° | 120.7° |
| C41 | C40 | H40 | 119.2° | 119.7° |
| C40 | C41 | C42 | 120.1° | 120.0° |
| C40 | C41 | H41 | 121.4° | 120.0° |
| C45 | C40 | H40 | 120.7° | 119.6° |
| C40 | C45 | C44 | 119.9° | 120.5° |
| C40 | C45 | H45 | 120.2° | 119.8° |
| C42 | C41 | H41 | 118.4° | 120.0° |
| C41 | C42 | C43 | 121.7° | 119.3° |
| C41 | C42 | N46 | 135.0° | 133.1° |
| C43 | C42 | N46 | 103.3° | 107.6° |
| C42 | C43 | C44 | 118.4° | 119.9° |
| C42 | N46 | N47 | 119.4° | 110.3° |
| C43 | C44 | C45 | 119.7° | 119.7° |
| C43 | C44 | H44 | 119.8° | 120.2° |
| C45 | C44 | H44 | 120.5° | 120.2° |
| C44 | C45 | H45 | 119.9° | 119.8° |
| F53 | C52 | F54 | 108.9° | 109.5° |
| F53 | C52 | P55 | 108.8° | 109.5° |
| F54 | C52 | P55 | 109.2° | 109.5° |
| C52 | P55 | O56 | 109.6° | 109.5° |
| C52 | P55 | O57 | 108.1° | 109.5° |
| C52 | P55 | O58 | 106.5° | 109.5° |
| O56 | P55 | O57 | 109.4° | 109.4° |
| O56 | P55 | O58 | 109.9° | 109.5° |
| P55 | O56 | H56 | 109.6° | 106.8° |
| O57 | P55 | O58 | 113.2° | 109.5° |
| P55 | O57 | H57 | 108.1° | 106.8° |
| C64 | C61 | C68 | 118.0° | 119.4° |
| C64 | C61 | H61 | 121.0° | 120.2° |
| C61 | C64 | C63 | 124.6° | 121.3° |
| C61 | C64 | C65 | 117.9° | 119.7° |
| C68 | C61 | H61 | 121.0° | 120.3° |
| C61 | C68 | C69 | 121.6° | 120.5° |
| C63 | C62 | C67 | 118.3° | 119.9° |
| C63 | C62 | H62 | 119.4° | 120.1° |
| C62 | C63 | C64 | 120.8° | 118.2° |
| C62 | C63 | H63 | 118.7° | 120.9° |
| C67 | C62 | H62 | 122.2° | 120.0° |
| C62 | C67 | N66 | 119.9° | 121.8° |
| C62 | C67 | C71 | 124.1° | 119.1° |
| C64 | C63 | H63 | 120.5° | 120.9° |
| C63 | C64 | C65 | 117.5° | 119.0° |
| C64 | C65 | N66 | 118.5° | 119.8° |
| C64 | C65 | C70 | 120.8° | 119.4° |
| N66 | C65 | C70 | 120.7° | 120.9° |
| C65 | N66 | C67 | 124.9° | 121.4° |
| C65 | C70 | C69 | 120.0° | 120.0° |
| C65 | C70 | P79 | 123.8° | 120.0° |
| N66 | C67 | C71 | 115.9° | 119.1° |
| C67 | C71 | O77 | 124.9° | 109.5° |
| C67 | C71 | C72 | 96.3° | 109.5° |
| C67 | C71 | H71 | 115.2° | 109.5° |
| C68 | C69 | C70 | 121.7° | 120.9° |
| C68 | C69 | H69 | 120.0° | 119.6° |
| C70 | C69 | H69 | 118.3° | 119.5° |
| C69 | C70 | P79 | 116.1° | 120.0° |
| C70 | P79 | O80 | 109.3° | 109.5° |
| C70 | P79 | O81 | 110.5° | 109.4° |
| C70 | P79 | O82 | 107.6° | 109.5° |
| O80 | P79 | O81 | 110.7° | 109.5° |
| O80 | P79 | O82 | 107.8° | 109.5° |
| P79 | O80 | H80 | 109.3° | 106.8° |
| O81 | P79 | O82 | 110.8° | 109.5° |
| P79 | O81 | H81 | 110.5° | 106.8° |
| O77 | C76 | H761 | 107.3° | 109.5° |
| O77 | C76 | H762 | 123.4° | 109.5° |
| O77 | C76 | H763 | 107.3° | 109.5° |
| C76 | O77 | C71 | 123.4° | 106.8° |
| H761 | C76 | H762 | 107.3° | 109.5° |
| H761 | C76 | H763 | 102.5° | 109.5° |
| H762 | C76 | H763 | 107.3° | 109.5° |
| O77 | C71 | C72 | 122.6° | 109.5° |
| O77 | C71 | H71 | 81.5° | 109.4° |
| C72 | C71 | H71 | 118.0° | 109.4° |
| C71 | C72 | C73 | 153.3° | 109.5° |
| C71 | C72 | H721 | 97.8° | 109.4° |
| C71 | C72 | H722 | 97.8° | 109.5° |
| C73 | C72 | H721 | 97.8° | 109.5° |
| C73 | C72 | H722 | 97.8° | 109.5° |
| C72 | C73 | C74 | 121.8° | 109.5° |
| C72 | C73 | C75 | 105.5° | 109.4° |
| C72 | C73 | H73 | 104.1° | 109.5° |
| H721 | C72 | H722 | 108.0° | 109.4° |
| C74 | C73 | C75 | 110.4° | 109.5° |
| C74 | C73 | H73 | 98.4° | 109.5° |
| C73 | C74 | H741 | 107.8° | 109.5° |
| C73 | C74 | H742 | 121.9° | 109.5° |
| C73 | C74 | H743 | 107.8° | 109.5° |
| C75 | C73 | H73 | 117.0° | 109.4° |
| C73 | C75 | H751 | 113.7° | 109.5° |
| C73 | C75 | H752 | 105.5° | 109.4° |
| C73 | C75 | H753 | 113.7° | 109.4° |
| H741 | C74 | H742 | 107.8° | 109.4° |
| H741 | C74 | H743 | 102.0° | 109.4° |
| H742 | C74 | H743 | 107.8° | 109.5° |
| H751 | C75 | H752 | 113.7° | 109.5° |
| H751 | C75 | H753 | 96.8° | 109.5° |
| H752 | C75 | H753 | 113.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.1° |
| H1 | C1 | C6 | C5 | 179.9° | 179.8° |
| H1 | C1 | C6 | H6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | C30 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C5 | C30 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.5° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C3 | C4 | C30 | N31 | 59.5° | 172.2° |
| C3 | C4 | C30 | C32 | 179.0° | 52.2° |
| C3 | C4 | C30 | C35 | 64.0° | 67.8° |
| H3 | C3 | C4 | C5 | 180.0° | 179.8° |
| H3 | C3 | C4 | C30 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C4 | C30 | N31 | 120.6° | 7.5° |
| C5 | C4 | C30 | C32 | 1.1° | 127.5° |
| C5 | C4 | C30 | C35 | 116.0° | 112.5° |
| C30 | C4 | C5 | C6 | 179.7° | 179.8° |
| C30 | C4 | C5 | H5 | 0.2° | 0.2° |
| C4 | C30 | C35 | C11 | 63.2° | 53.7° |
| C4 | C30 | C32 | C21 | 179.2° | 175.5° |
| C4 | C30 | N31 | C32 | 120.5° | 120.0° |
| C4 | C30 | N31 | C35 | 120.4° | 120.0° |
| C4 | C30 | C32 | C35 | 117.7° | 120.0° |
| C4 | C30 | N31 | C43 | 43.7° | 61.2° |
| C4 | C30 | N31 | N47 | 136.3° | 118.4° |
| C4 | C30 | C32 | H321 | 55.6° | 64.6° |
| C4 | C30 | C32 | H322 | 53.9° | 55.4° |
| C4 | C30 | C35 | H351 | 62.1° | 173.7° |
| C4 | C30 | C35 | H352 | 171.5° | 66.3° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| C11 | C10 | C15 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C35 | 178.4° | 179.7° |
| C10 | C11 | C12 | C13 | 0.5° | 0.5° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C11 | C10 | C15 | C14 | 0.1° | NaN° |
| C11 | C10 | C15 | H15 | 179.9° | 179.9° |
| C10 | C11 | C35 | C30 | 96.3° | 97.2° |
| C10 | C11 | C35 | H351 | 138.4° | 22.8° |
| C10 | C11 | C35 | H352 | 29.0° | 142.8° |
| C15 | C10 | C11 | C12 | 0.5° | 0.3° |
| C15 | C10 | C11 | C35 | 178.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.7° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C52 | 178.6° | 180.0° |
| H10 | C10 | C11 | C12 | 179.5° | 179.8° |
| H10 | C10 | C11 | C35 | 2.0° | 0.1° |
| H10 | C10 | C15 | C14 | 179.8° | 179.9° |
| H10 | C10 | C15 | H15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.0° | 0.5° |
| C11 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C11 | C35 | C30 | 82.1° | 83.1° |
| C12 | C11 | C35 | H351 | 43.2° | 156.9° |
| C12 | C11 | C35 | H352 | 152.7° | 36.9° |
| C35 | C11 | C12 | C13 | 177.9° | 179.8° |
| C35 | C11 | C12 | H12 | 2.1° | 0.3° |
| C11 | C35 | C30 | N31 | 176.1° | 66.2° |
| C11 | C35 | C30 | C32 | 56.0° | 173.8° |
| C11 | C35 | C30 | H351 | 125.3° | 120.0° |
| C11 | C35 | C30 | H352 | 125.3° | 120.0° |
| C11 | C35 | H351 | H352 | 114.2° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.6° | 0.2° |
| C12 | C13 | C14 | C52 | 178.7° | 179.8° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.2° |
| C13 | C14 | C15 | C52 | 179.3° | 180.0° |
| C13 | C14 | C15 | H15 | 179.3° | 179.9° |
| C13 | C14 | C52 | F53 | 24.5° | 34.3° |
| C13 | C14 | C52 | F54 | 143.2° | 154.3° |
| C13 | C14 | C52 | P55 | 95.7° | 85.7° |
| H13 | C13 | C14 | C15 | 179.4° | 180.0° |
| H13 | C13 | C14 | C52 | 1.3° | 0.0° |
| C15 | C14 | C52 | F53 | 154.7° | 145.6° |
| C15 | C14 | C52 | F54 | 36.0° | 25.7° |
| C15 | C14 | C52 | P55 | 85.0° | 94.4° |
| C52 | C14 | C15 | H15 | 1.4° | 0.0° |
| C14 | C52 | F53 | F54 | 118.8° | 120.0° |
| C14 | C52 | F53 | P55 | 122.3° | 120.0° |
| C14 | C52 | F54 | P55 | 122.8° | 120.0° |
| C14 | C52 | P55 | O56 | 60.1° | 64.7° |
| C14 | C52 | P55 | O57 | 59.1° | 55.3° |
| C14 | C52 | P55 | O58 | 178.9° | 175.3° |
| C21 | C20 | C25 | H20 | 180.0° | 179.7° |
| C20 | C21 | C22 | C32 | 179.4° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.1° |
| C20 | C21 | C22 | H22 | 179.2° | 180.0° |
| C21 | C20 | C25 | C24 | 0.4° | 0.5° |
| C21 | C20 | C25 | H25 | 179.6° | 180.0° |
| C20 | C21 | C32 | C30 | 56.7° | 85.9° |
| C20 | C21 | C32 | H321 | 68.6° | 34.1° |
| C20 | C21 | C32 | H322 | 178.0° | 154.1° |
| C25 | C20 | C21 | C22 | 1.0° | 0.2° |
| C25 | C20 | C21 | C32 | 179.6° | 179.7° |
| C20 | C25 | C24 | C23 | 0.4° | 0.5° |
| C20 | C25 | C24 | H25 | 180.0° | 179.5° |
| C20 | C25 | C24 | C68 | 177.0° | 179.8° |
| H20 | C20 | C21 | C22 | 179.0° | 180.0° |
| H20 | C20 | C21 | C32 | 0.5° | 0.0° |
| H20 | C20 | C25 | C24 | 179.6° | 179.7° |
| H20 | C20 | C25 | H25 | 0.4° | 0.2° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C21 | C32 | C30 | 122.7° | 94.1° |
| C22 | C21 | C32 | H321 | 112.0° | 145.9° |
| C22 | C21 | C32 | H322 | 2.6° | 26.0° |
| C32 | C21 | C22 | C23 | 179.8° | 180.0° |
| C32 | C21 | C22 | H22 | 0.2° | 0.1° |
| C21 | C32 | C30 | N31 | 61.4° | 55.5° |
| C21 | C32 | C30 | H321 | 125.2° | 119.9° |
| C21 | C32 | C30 | H322 | 125.3° | 120.1° |
| C21 | C32 | C30 | C35 | 61.5° | 64.5° |
| C21 | C32 | H321 | H322 | 112.7° | 120.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.2° |
| C22 | C23 | C24 | C68 | 176.6° | 179.9° |
| H22 | C22 | C23 | C24 | 180.0° | 180.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.1° |
| C23 | C24 | C25 | C68 | 177.4° | 179.7° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C23 | C24 | C68 | C61 | 146.0° | 36.0° |
| C23 | C24 | C68 | C69 | 36.4° | 144.0° |
| H23 | C23 | C24 | C25 | 179.4° | 179.7° |
| H23 | C23 | C24 | C68 | 3.4° | 0.0° |
| C25 | C24 | C68 | C61 | 36.8° | 144.3° |
| C25 | C24 | C68 | C69 | 140.8° | 35.7° |
| C68 | C24 | C25 | H25 | 3.0° | 0.2° |
| C24 | C68 | C61 | C64 | 178.2° | 180.0° |
| C24 | C68 | C61 | C69 | 177.5° | 180.0° |
| C24 | C68 | C61 | H61 | 1.8° | 0.1° |
| C24 | C68 | C69 | C70 | 178.4° | 180.0° |
| C24 | C68 | C69 | H69 | 1.6° | 0.1° |
| N31 | C30 | C32 | C35 | 122.9° | 120.0° |
| C30 | N31 | C43 | N47 | 180.0° | 179.7° |
| N31 | C30 | C32 | H321 | 63.9° | 175.5° |
| N31 | C30 | C32 | H322 | 173.4° | 64.5° |
| N31 | C30 | C35 | H351 | 58.7° | 53.7° |
| N31 | C30 | C35 | H352 | 50.8° | 173.8° |
| C30 | N31 | C43 | C42 | 179.3° | 179.9° |
| C30 | N31 | C43 | C44 | 0.3° | 0.7° |
| C30 | N31 | N47 | N46 | 179.6° | 180.0° |
| C32 | C30 | N31 | C43 | 76.9° | 58.8° |
| C32 | C30 | N31 | N47 | 103.2° | 121.6° |
| C30 | C32 | H321 | H322 | 112.7° | 120.0° |
| C32 | C30 | C35 | H351 | 178.8° | 66.3° |
| C32 | C30 | C35 | H352 | 69.3° | 53.7° |
| C35 | C30 | N31 | C43 | 164.1° | 178.8° |
| C35 | C30 | N31 | N47 | 15.9° | 1.5° |
| C35 | C30 | C32 | H321 | 173.3° | 55.4° |
| C35 | C30 | C32 | H322 | 63.8° | 175.4° |
| C30 | C35 | H351 | H352 | 114.2° | 120.0° |
| N31 | C43 | C42 | C41 | 179.7° | 179.8° |
| N31 | C43 | C42 | C44 | 179.2° | 179.3° |
| N31 | C43 | C42 | N46 | 0.7° | 0.4° |
| N31 | C43 | C44 | C45 | 179.4° | 179.6° |
| N31 | C43 | C44 | H44 | 0.6° | 0.6° |
| C43 | N31 | N47 | N46 | 0.5° | 0.3° |
| N47 | N31 | C43 | C42 | 0.8° | 0.4° |
| N31 | N47 | N46 | C42 | 0.1° | 0.0° |
| N47 | N31 | C43 | C44 | 179.8° | 179.6° |
| C41 | C40 | C45 | H40 | 180.0° | 180.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.4° | 0.3° |
| C40 | C41 | C42 | N46 | 179.8° | 180.0° |
| C41 | C40 | C45 | C44 | 0.5° | 0.0° |
| C41 | C40 | C45 | H45 | 179.5° | 180.0° |
| C45 | C40 | C41 | C42 | 0.4° | 0.0° |
| C45 | C40 | C41 | H41 | 179.6° | 179.9° |
| C40 | C45 | C44 | C43 | 0.5° | 0.2° |
| C40 | C45 | C44 | H45 | 180.0° | 180.0° |
| C40 | C45 | C44 | H44 | 179.5° | 180.0° |
| H40 | C40 | C41 | C42 | 179.6° | 179.9° |
| H40 | C40 | C41 | H41 | 0.5° | 0.0° |
| H40 | C40 | C45 | C44 | 179.5° | 180.0° |
| H40 | C40 | C45 | H45 | 0.5° | 0.0° |
| C41 | C42 | C43 | N46 | 179.5° | 179.8° |
| C41 | C42 | C43 | C44 | 0.5° | 0.5° |
| C41 | C42 | N46 | N47 | 180.0° | 179.9° |
| H41 | C41 | C42 | C43 | 179.5° | 179.8° |
| H41 | C41 | C42 | N46 | 0.2° | 0.1° |
| C42 | C43 | C44 | C45 | 0.5° | 0.5° |
| C42 | C43 | C44 | H44 | 179.5° | 179.7° |
| C43 | C42 | N46 | N47 | 0.6° | 0.2° |
| N46 | C42 | C43 | C44 | 180.0° | 179.7° |
| C43 | C44 | C45 | H44 | 180.0° | 179.8° |
| C43 | C44 | C45 | H45 | 179.5° | 179.8° |
| H44 | C44 | C45 | H45 | 0.5° | 0.0° |
| F53 | C52 | F54 | P55 | 118.7° | 120.0° |
| F53 | C52 | P55 | O56 | 179.7° | 175.3° |
| F53 | C52 | P55 | O57 | 61.1° | 64.7° |
| F53 | C52 | P55 | O58 | 60.8° | 55.3° |
| F54 | C52 | P55 | O56 | 61.0° | 55.3° |
| F54 | C52 | P55 | O57 | 179.9° | 175.3° |
| F54 | C52 | P55 | O58 | 57.9° | 64.7° |
| C52 | P55 | O56 | O57 | 118.4° | 120.0° |
| C52 | P55 | O56 | O58 | 116.7° | 120.0° |
| C52 | P55 | O57 | O58 | 117.7° | 120.0° |
| C52 | P55 | O56 | H56 | 180.0° | 180.0° |
| C52 | P55 | O57 | H57 | 180.0° | 55.3° |
| O56 | P55 | O57 | O58 | 123.0° | 120.0° |
| O56 | P55 | O57 | H57 | 60.7° | 64.7° |
| O57 | P55 | O56 | H56 | 61.6° | 60.0° |
| O58 | P55 | O56 | H56 | 63.3° | 60.0° |
| O58 | P55 | O57 | H57 | 62.3° | 175.4° |
| C64 | C61 | C68 | H61 | 180.0° | 179.9° |
| C61 | C64 | C63 | C62 | 179.8° | 180.0° |
| C61 | C64 | C63 | C65 | 179.3° | 179.9° |
| C61 | C64 | C63 | H63 | 0.2° | 0.1° |
| C61 | C64 | C65 | N66 | 179.6° | 179.7° |
| C61 | C64 | C65 | C70 | 0.3° | 0.1° |
| C64 | C61 | C68 | C69 | 0.7° | 0.0° |
| C68 | C61 | C64 | C63 | 179.8° | 180.0° |
| C68 | C61 | C64 | C65 | 0.5° | 0.1° |
| C61 | C68 | C69 | C70 | 0.8° | 0.0° |
| C61 | C68 | C69 | H69 | 179.2° | 179.9° |
| H61 | C61 | C64 | C63 | 0.3° | 0.1° |
| H61 | C61 | C64 | C65 | 179.5° | 179.9° |
| H61 | C61 | C68 | C69 | 179.3° | 179.9° |
| C63 | C62 | C67 | H62 | 180.0° | 180.0° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.9° | 0.0° |
| C63 | C62 | C67 | N66 | 0.1° | 0.3° |
| C63 | C62 | C67 | C71 | 178.2° | 180.0° |
| C67 | C62 | C63 | C64 | 0.5° | 0.0° |
| C67 | C62 | C63 | H63 | 179.5° | 180.0° |
| C62 | C67 | N66 | C65 | 0.3° | 0.6° |
| C62 | C67 | N66 | C71 | 178.2° | 179.7° |
| C62 | C67 | C71 | O77 | 69.6° | 5.0° |
| C62 | C67 | C71 | C72 | 68.0° | 125.0° |
| C62 | C67 | C71 | H71 | 166.9° | 115.0° |
| H62 | C62 | C63 | C64 | 179.5° | 180.0° |
| H62 | C62 | C63 | H63 | 0.5° | 0.0° |
| H62 | C62 | C67 | N66 | 179.9° | 179.7° |
| H62 | C62 | C67 | C71 | 1.8° | 0.1° |
| C63 | C64 | C65 | N66 | 1.0° | 0.2° |
| C63 | C64 | C65 | C70 | 179.6° | 180.0° |
| H63 | C63 | C64 | C65 | 179.1° | 180.0° |
| C64 | C65 | N66 | C70 | 179.3° | 179.8° |
| C64 | C65 | N66 | C67 | 0.7° | 0.5° |
| C64 | C65 | C70 | C69 | 0.4° | 0.1° |
| C64 | C65 | C70 | P79 | 179.3° | 180.0° |
| C65 | N66 | C67 | C71 | 178.5° | 179.8° |
| N66 | C65 | C70 | C69 | 179.7° | 179.7° |
| N66 | C65 | C70 | P79 | 1.4° | 0.3° |
| C70 | C65 | N66 | C67 | 180.0° | 179.7° |
| C65 | C70 | C69 | C68 | 0.6° | 0.0° |
| C65 | C70 | C69 | P79 | 179.0° | 180.0° |
| C65 | C70 | C69 | H69 | 179.4° | 180.0° |
| C65 | C70 | P79 | O80 | 78.7° | 90.0° |
| C65 | C70 | P79 | O81 | 159.3° | 30.0° |
| C65 | C70 | P79 | O82 | 38.2° | 150.0° |
| N66 | C67 | C71 | O77 | 108.6° | 175.3° |
| N66 | C67 | C71 | C72 | 113.8° | 55.3° |
| N66 | C67 | C71 | H71 | 11.2° | 64.7° |
| C67 | C71 | O77 | C76 | 1.3° | 90.0° |
| C67 | C71 | O77 | C72 | 127.3° | 120.0° |
| C67 | C71 | O77 | H71 | 114.9° | 120.0° |
| C67 | C71 | C72 | H71 | 123.0° | 120.0° |
| C67 | C71 | C72 | C73 | 42.3° | 177.6° |
| C67 | C71 | C72 | H721 | 82.9° | 62.4° |
| C67 | C71 | C72 | H722 | 167.6° | 57.5° |
| C68 | C69 | C70 | H69 | 180.0° | 179.9° |
| C68 | C69 | C70 | P79 | 179.6° | 180.0° |
| C69 | C70 | P79 | O80 | 102.4° | 90.0° |
| C69 | C70 | P79 | O81 | 19.7° | 150.0° |
| C69 | C70 | P79 | O82 | 140.7° | 30.0° |
| H69 | C69 | C70 | P79 | 0.4° | 0.1° |
| C70 | P79 | O80 | O81 | 122.0° | 120.0° |
| C70 | P79 | O80 | O82 | 116.7° | 120.0° |
| C70 | P79 | O81 | O82 | 119.2° | 120.0° |
| C70 | P79 | O80 | H80 | 180.0° | 60.0° |
| C70 | P79 | O81 | H81 | 180.0° | 180.0° |
| O80 | P79 | O81 | O82 | 119.6° | 120.0° |
| O80 | P79 | O81 | H81 | 58.7° | 60.1° |
| O81 | P79 | O80 | H80 | 58.0° | 59.9° |
| O82 | P79 | O80 | H80 | 63.3° | 180.0° |
| O82 | P79 | O81 | H81 | 60.9° | 60.0° |
| O77 | C76 | H761 | H762 | 134.4° | 120.0° |
| O77 | C76 | H761 | H763 | 112.8° | 120.0° |
| O77 | C76 | H762 | H763 | 125.2° | 120.0° |
| C76 | O77 | C71 | C72 | 128.5° | 150.0° |
| C76 | O77 | C71 | H71 | 113.6° | 30.0° |
| H761 | C76 | H762 | H763 | 109.5° | 120.0° |
| H761 | C76 | O77 | C71 | 54.7° | 60.0° |
| H762 | C76 | O77 | C71 | 180.0° | 60.0° |
| H763 | C76 | O77 | C71 | 54.8° | 180.0° |
| O77 | C71 | C72 | H71 | 98.1° | 119.9° |
| O77 | C71 | C72 | C73 | 178.8° | 62.4° |
| O77 | C71 | C72 | H721 | 56.0° | 57.6° |
| O77 | C71 | C72 | H722 | 53.5° | 177.6° |
| C71 | C72 | C73 | H721 | 125.2° | 120.0° |
| C71 | C72 | C73 | H722 | 125.3° | 120.0° |
| C71 | C72 | H721 | H722 | 100.9° | 119.9° |
| C71 | C72 | C73 | C74 | 53.8° | 173.4° |
| C71 | C72 | C73 | C75 | 179.4° | 66.6° |
| C71 | C72 | C73 | H73 | 55.7° | 53.3° |
| H71 | C71 | C72 | C73 | 80.7° | 57.6° |
| H71 | C71 | C72 | H721 | 154.1° | 177.6° |
| H71 | C71 | C72 | H722 | 44.6° | 62.5° |
| C73 | C72 | H721 | H722 | 100.8° | 120.0° |
| C72 | C73 | C74 | C75 | 124.5° | 120.0° |
| C72 | C73 | C74 | H73 | 112.4° | 120.1° |
| C72 | C73 | C75 | H73 | 115.1° | 120.0° |
| C72 | C73 | C74 | H741 | 54.7° | 55.1° |
| C72 | C73 | C74 | H742 | 180.0° | 64.9° |
| C72 | C73 | C74 | H743 | 54.7° | 175.1° |
| C72 | C73 | C75 | H751 | 54.7° | 60.0° |
| C72 | C73 | C75 | H752 | 180.0° | 180.0° |
| C72 | C73 | C75 | H753 | 54.8° | 60.1° |
| H721 | C72 | C73 | C74 | 179.1° | 53.4° |
| H721 | C72 | C73 | C75 | 54.2° | 173.4° |
| H721 | C72 | C73 | H73 | 69.6° | 66.7° |
| H722 | C72 | C73 | C74 | 71.5° | 66.6° |
| H722 | C72 | C73 | C75 | 55.3° | 53.4° |
| H722 | C72 | C73 | H73 | 179.0° | 173.3° |
| C74 | C73 | C75 | H73 | 111.4° | 120.0° |
| C73 | C74 | H741 | H742 | 133.3° | 120.0° |
| C73 | C74 | H741 | H743 | 113.4° | 120.0° |
| C73 | C74 | H742 | H743 | 125.3° | 120.1° |
| C74 | C73 | C75 | H751 | 171.8° | 180.0° |
| C74 | C73 | C75 | H752 | 46.6° | 60.0° |
| C74 | C73 | C75 | H753 | 78.7° | 60.0° |
| C75 | C73 | C74 | H741 | 69.8° | 175.1° |
| C75 | C73 | C74 | H742 | 55.5° | 55.1° |
| C75 | C73 | C74 | H743 | 179.2° | 65.0° |
| C73 | C75 | H751 | H752 | 120.8° | 120.0° |
| C73 | C75 | H751 | H753 | 119.7° | 120.0° |
| C73 | C75 | H752 | H753 | 125.3° | 119.9° |
| H73 | C73 | C74 | H741 | 167.2° | 65.0° |
| H73 | C73 | C74 | H742 | 67.6° | 175.1° |
| H73 | C73 | C74 | H743 | 57.7° | 55.0° |
| H73 | C73 | C75 | H751 | 60.4° | 60.0° |
| H73 | C73 | C75 | H752 | 64.9° | 60.0° |
| H73 | C73 | C75 | H753 | 169.9° | 180.0° |
| H741 | C74 | H742 | H743 | 109.4° | 120.0° |
| H751 | C75 | H752 | H753 | 109.5° | 120.1° |
