A1ICT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | N32 | doub | 1.32Å | 1.43Å | Aromatic |
| C33 | N35 | sing | 1.32Å | 1.39Å | Aromatic |
| N32 | C30 | sing | 1.32Å | 1.40Å | Aromatic |
| N35 | C36 | doub | 1.32Å | 1.40Å | Aromatic |
| C30 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.48Å | 1.31Å | |
| C39 | C40 | doub | 1.35Å | 1.33Å | Aromatic |
| C39 | S29 | sing | 1.76Å | 1.66Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.33Å | Aromatic |
| C42 | C44 | doub | 1.34Å | 1.35Å | Aromatic |
| S29 | C44 | sing | 1.76Å | 1.69Å | Aromatic |
| C44 | C45 | sing | 1.51Å | 1.56Å | |
| C45 | N48 | sing | 1.47Å | 1.49Å | |
| N48 | C26 | sing | 1.47Å | 1.47Å | |
| N48 | C50 | sing | 1.47Å | 1.48Å | |
| C26 | C23 | sing | 1.53Å | 1.51Å | |
| C50 | C64 | sing | 1.53Å | 1.59Å | |
| C23 | C66 | sing | 1.53Å | 1.51Å | |
| C64 | C66 | sing | 1.53Å | 1.53Å | |
| C64 | C63 | sing | 1.51Å | 1.39Å | |
| C66 | C69 | sing | 1.51Å | 1.52Å | |
| C61 | C63 | doub | 1.38Å | 1.39Å | Aromatic |
| C61 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C63 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C59 | C57 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C55 | doub | 1.38Å | 1.37Å | Aromatic |
| C69 | O68 | doub | 1.21Å | 1.22Å | |
| C69 | N73 | sing | 1.35Å | 1.33Å | |
| C57 | C55 | sing | 1.38Å | 1.37Å | Aromatic |
| C70 | N73 | sing | 1.47Å | 1.51Å | |
| C70 | C81 | sing | 1.53Å | 1.55Å | |
| N73 | C74 | sing | 1.47Å | 1.48Å | |
| C81 | C80 | sing | 1.53Å | 1.57Å | |
| C74 | C77 | sing | 1.53Å | 1.49Å | |
| O03 | C04 | doub | 1.22Å | 1.20Å | |
| C12 | C10 | doub | 1.34Å | 1.29Å | Aromatic |
| C12 | C14 | sing | 1.46Å | 1.30Å | Aromatic |
| C77 | C80 | sing | 1.53Å | 1.52Å | |
| C10 | N09 | sing | 1.37Å | 1.33Å | Aromatic |
| C80 | O01 | sing | 1.43Å | 1.43Å | |
| C80 | C20 | sing | 1.53Å | 1.57Å | |
| C14 | C04 | sing | 1.41Å | 1.29Å | |
| C14 | C15 | doub | 1.40Å | 1.31Å | Aromatic |
| C04 | N19 | sing | 1.35Å | 1.31Å | |
| N09 | C15 | sing | 1.36Å | 1.31Å | Aromatic |
| N09 | C05 | sing | 1.47Å | 1.46Å | |
| C15 | N16 | sing | 1.34Å | 1.32Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C17 | sing | 1.36Å | 1.40Å | |
| N16 | C17 | doub | 1.30Å | 1.36Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C81 | H82 | sing | 1.09Å | 1.10Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H71 | sing | 1.09Å | 1.10Å | |
| O01 | H01 | sing | 0.97Å | 0.95Å | |
| C77 | H78 | sing | 1.09Å | 1.10Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C74 | H75 | sing | 1.09Å | 1.10Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H46 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | C33 | N35 | 120.4° | 122.1° |
| C33 | N32 | C30 | 121.6° | 121.0° |
| N32 | C33 | H33 | 119.8° | 118.9° |
| C33 | N35 | C36 | 117.3° | 121.0° |
| N35 | C33 | H33 | 119.8° | 119.0° |
| N32 | C30 | C38 | 117.9° | 118.9° |
| N32 | C30 | H30 | 121.0° | 120.5° |
| N35 | C36 | C38 | 122.7° | 118.9° |
| N35 | C36 | H36 | 118.6° | 120.5° |
| C30 | C38 | C36 | 120.1° | 118.2° |
| C30 | C38 | C39 | 118.7° | 120.9° |
| C38 | C30 | H30 | 121.0° | 120.6° |
| C36 | C38 | C39 | 121.1° | 120.9° |
| C38 | C36 | H36 | 118.7° | 120.6° |
| C38 | C39 | C40 | 124.0° | 125.3° |
| C38 | C39 | S29 | 123.5° | 125.3° |
| C40 | C39 | S29 | 112.5° | 109.5° |
| C39 | C40 | C42 | 113.1° | 114.7° |
| C39 | C40 | H40 | 123.5° | 122.6° |
| C39 | S29 | C44 | 90.7° | 91.0° |
| C40 | C42 | C44 | 112.9° | 115.1° |
| C40 | C42 | H42 | 123.5° | 122.5° |
| C42 | C40 | H40 | 123.5° | 122.7° |
| C42 | C44 | S29 | 110.9° | 109.7° |
| C42 | C44 | C45 | 125.3° | 125.2° |
| C44 | C42 | H42 | 123.6° | 122.4° |
| S29 | C44 | C45 | 123.8° | 125.1° |
| C44 | C45 | N48 | 115.0° | 109.5° |
| C44 | C45 | H46 | 108.1° | 109.5° |
| C44 | C45 | H45 | 108.1° | 109.5° |
| C45 | N48 | C26 | 108.6° | 111.0° |
| C45 | N48 | C50 | 113.2° | 111.0° |
| N48 | C45 | H46 | 108.1° | 109.4° |
| N48 | C45 | H45 | 108.1° | 109.5° |
| C26 | N48 | C50 | 103.9° | 111.2° |
| N48 | C26 | C23 | 107.6° | 109.5° |
| N48 | C26 | H27 | 109.9° | 109.5° |
| N48 | C26 | H26 | 109.9° | 109.5° |
| N48 | C50 | C64 | 115.2° | 109.5° |
| N48 | C50 | H50 | 108.0° | 109.5° |
| N48 | C50 | H51 | 108.0° | 109.4° |
| C26 | C23 | C66 | 106.4° | 109.3° |
| C26 | C23 | H24 | 110.2° | 109.5° |
| C26 | C23 | H23 | 110.2° | 109.5° |
| C23 | C26 | H27 | 109.9° | 109.4° |
| C23 | C26 | H26 | 109.9° | 109.4° |
| C50 | C64 | C66 | 113.6° | 109.2° |
| C50 | C64 | C63 | 115.1° | 109.5° |
| C50 | C64 | H64 | 105.9° | 109.6° |
| C64 | C50 | H50 | 108.0° | 109.5° |
| C64 | C50 | H51 | 108.0° | 109.4° |
| C23 | C66 | C64 | 114.8° | 109.2° |
| C23 | C66 | C69 | 115.8° | 109.5° |
| C23 | C66 | H66 | 106.3° | 109.6° |
| C66 | C23 | H24 | 110.2° | 109.5° |
| C66 | C23 | H23 | 110.2° | 109.5° |
| C66 | C64 | C63 | 107.0° | 109.5° |
| C64 | C66 | C69 | 106.9° | 109.5° |
| C64 | C66 | H66 | 106.1° | 109.5° |
| C66 | C64 | H64 | 106.5° | 109.5° |
| C64 | C63 | C61 | 122.3° | 120.0° |
| C64 | C63 | C53 | 117.8° | 120.0° |
| C63 | C64 | H64 | 108.2° | 109.5° |
| C66 | C69 | O68 | 123.3° | 120.0° |
| C66 | C69 | N73 | 114.8° | 120.0° |
| C69 | C66 | H66 | 106.2° | 109.5° |
| C63 | C61 | C59 | 118.4° | 120.0° |
| C61 | C63 | C53 | 119.8° | 120.0° |
| C63 | C61 | H61 | 120.8° | 120.0° |
| C61 | C59 | C57 | 120.9° | 120.0° |
| C61 | C59 | H59 | 119.6° | 120.0° |
| C59 | C61 | H61 | 120.8° | 119.9° |
| C63 | C53 | C55 | 121.8° | 120.0° |
| C63 | C53 | H53 | 119.1° | 120.0° |
| C59 | C57 | C55 | 120.7° | 120.0° |
| C59 | C57 | H57 | 119.7° | 120.0° |
| C57 | C59 | H59 | 119.6° | 120.0° |
| C53 | C55 | C57 | 118.3° | 120.0° |
| C55 | C53 | H53 | 119.1° | 120.0° |
| C53 | C55 | H55 | 120.8° | 120.1° |
| O68 | C69 | N73 | 121.1° | 120.0° |
| C69 | N73 | C70 | 123.1° | 120.6° |
| C69 | N73 | C74 | 118.5° | 120.6° |
| C57 | C55 | H55 | 120.9° | 119.9° |
| C55 | C57 | H57 | 119.6° | 120.0° |
| N73 | C70 | C81 | 110.0° | 108.8° |
| C70 | N73 | C74 | 117.7° | 118.7° |
| N73 | C70 | H70 | 109.3° | 109.5° |
| N73 | C70 | H71 | 109.3° | 109.6° |
| C70 | C81 | C80 | 108.3° | 109.3° |
| C70 | C81 | H82 | 109.8° | 109.5° |
| C70 | C81 | H81 | 109.8° | 109.5° |
| C81 | C70 | H70 | 109.4° | 109.6° |
| C81 | C70 | H71 | 109.3° | 109.6° |
| N73 | C74 | C77 | 106.4° | 108.8° |
| N73 | C74 | H75 | 110.2° | 109.5° |
| N73 | C74 | H74 | 110.2° | 109.7° |
| C81 | C80 | C77 | 107.5° | 109.5° |
| C81 | C80 | O01 | 107.8° | 109.4° |
| C81 | C80 | C20 | 115.4° | 109.5° |
| C80 | C81 | H82 | 109.7° | 109.5° |
| C80 | C81 | H81 | 109.7° | 109.5° |
| C74 | C77 | C80 | 107.2° | 109.3° |
| C74 | C77 | H78 | 110.0° | 109.5° |
| C74 | C77 | H77 | 110.0° | 109.5° |
| C77 | C74 | H75 | 110.3° | 109.6° |
| C77 | C74 | H74 | 110.2° | 109.6° |
| O03 | C04 | C14 | 120.7° | 121.0° |
| O03 | C04 | N19 | 119.0° | 120.9° |
| C10 | C12 | C14 | 109.7° | 106.7° |
| C12 | C10 | N09 | 106.0° | 109.6° |
| C10 | C12 | H12 | 125.2° | 126.7° |
| C12 | C10 | H10 | 127.0° | 125.2° |
| C12 | C14 | C04 | 130.2° | 134.8° |
| C12 | C14 | C15 | 108.3° | 106.3° |
| C14 | C12 | H12 | 125.1° | 126.7° |
| C77 | C80 | O01 | 110.5° | 109.5° |
| C77 | C80 | C20 | 111.8° | 109.5° |
| C80 | C77 | H78 | 110.0° | 109.5° |
| C80 | C77 | H77 | 110.0° | 109.5° |
| C10 | N09 | C15 | 109.2° | 110.1° |
| C10 | N09 | C05 | 126.2° | 125.0° |
| N09 | C10 | H10 | 127.0° | 125.1° |
| O01 | C80 | C20 | 103.7° | 109.4° |
| C80 | O01 | H01 | 109.5° | 114.0° |
| C80 | C20 | N19 | 106.1° | 109.4° |
| C80 | C20 | H21 | 110.3° | 109.5° |
| C80 | C20 | H20 | 110.3° | 109.4° |
| C04 | C14 | C15 | 121.5° | 118.9° |
| C14 | C04 | N19 | 120.3° | 118.1° |
| C14 | C15 | N09 | 106.8° | 107.3° |
| C14 | C15 | N16 | 122.8° | 119.0° |
| C04 | N19 | C20 | 121.1° | 119.9° |
| C04 | N19 | C17 | 119.5° | 120.2° |
| C15 | N09 | C05 | 124.7° | 124.9° |
| N09 | C15 | N16 | 130.4° | 133.7° |
| N09 | C05 | H05 | 109.5° | 109.5° |
| N09 | C05 | H06 | 109.5° | 109.5° |
| N09 | C05 | H07 | 109.5° | 109.5° |
| C15 | N16 | C17 | 117.2° | 121.3° |
| C20 | N19 | C17 | 119.4° | 119.8° |
| N19 | C20 | H21 | 110.3° | 109.5° |
| N19 | C20 | H20 | 110.3° | 109.4° |
| N19 | C17 | N16 | 118.7° | 122.4° |
| N19 | C17 | H17 | 120.6° | 118.8° |
| N16 | C17 | H17 | 120.6° | 118.8° |
| H05 | C05 | H06 | 109.5° | 109.5° |
| H05 | C05 | H07 | 109.5° | 109.5° |
| H06 | C05 | H07 | 109.4° | 109.4° |
| H21 | C20 | H20 | 109.4° | 109.5° |
| H82 | C81 | H81 | 109.5° | 109.5° |
| H70 | C70 | H71 | 109.5° | 109.7° |
| H78 | C77 | H77 | 109.5° | 109.5° |
| H75 | C74 | H74 | 109.5° | 109.6° |
| H50 | C50 | H51 | 109.5° | 109.5° |
| H24 | C23 | H23 | 109.5° | 109.5° |
| H27 | C26 | H26 | 109.5° | 109.4° |
| H46 | C45 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | C33 | N35 | H33 | 180.0° | 180.0° |
| N32 | C33 | N35 | C36 | 0.1° | 0.3° |
| C33 | N32 | C30 | C38 | 0.9° | 0.0° |
| C33 | N32 | C30 | H30 | 179.1° | 180.0° |
| N35 | C33 | N32 | C30 | 0.2° | 0.0° |
| C33 | N35 | C36 | C38 | 1.1° | 0.6° |
| C33 | N35 | C36 | H36 | 178.9° | 179.9° |
| N32 | C30 | C38 | H30 | 180.0° | 180.0° |
| N32 | C30 | C38 | C36 | 2.1° | 0.3° |
| N32 | C30 | C38 | C39 | 177.9° | 180.0° |
| C30 | N32 | C33 | H33 | 179.7° | 180.0° |
| N35 | C36 | C38 | C30 | 2.3° | 0.6° |
| N35 | C36 | C38 | H36 | 180.0° | 179.5° |
| N35 | C36 | C38 | C39 | 178.1° | 179.7° |
| C36 | N35 | C33 | H33 | 179.9° | 179.7° |
| C30 | C38 | C36 | C39 | 175.8° | 179.7° |
| C30 | C38 | C39 | C40 | 10.3° | 180.0° |
| C30 | C38 | C39 | S29 | 165.8° | 0.0° |
| C30 | C38 | C36 | H36 | 177.7° | 180.0° |
| C36 | C38 | C39 | C40 | 173.8° | 0.3° |
| C36 | C38 | C39 | S29 | 10.0° | 179.7° |
| C36 | C38 | C30 | H30 | 177.9° | 179.8° |
| C38 | C39 | C40 | S29 | 176.5° | 180.0° |
| C38 | C39 | C40 | C42 | 176.9° | 180.0° |
| C38 | C39 | S29 | C44 | 176.9° | 179.9° |
| C38 | C39 | C40 | H40 | 3.1° | 0.2° |
| C39 | C38 | C30 | H30 | 2.0° | 0.0° |
| C39 | C38 | C36 | H36 | 2.0° | 0.2° |
| C39 | C40 | C42 | H40 | 180.0° | 179.8° |
| C39 | C40 | C42 | C44 | 0.3° | 0.2° |
| C40 | C39 | S29 | C44 | 0.3° | 0.1° |
| C39 | C40 | C42 | H42 | 179.7° | 179.9° |
| S29 | C39 | C40 | C42 | 0.4° | 0.0° |
| C39 | S29 | C44 | C42 | 0.2° | 0.2° |
| C39 | S29 | C44 | C45 | 179.0° | 180.0° |
| S29 | C39 | C40 | H40 | 179.6° | 179.8° |
| C40 | C42 | C44 | H42 | 180.0° | 179.9° |
| C40 | C42 | C44 | S29 | 0.0° | 0.3° |
| C40 | C42 | C44 | C45 | 178.8° | 180.0° |
| C42 | C44 | S29 | C45 | 178.8° | 179.7° |
| C42 | C44 | C45 | N48 | 78.8° | 89.7° |
| C42 | C44 | C45 | H46 | 42.0° | 30.3° |
| C42 | C44 | C45 | H45 | 160.3° | 150.3° |
| C44 | C42 | C40 | H40 | 179.8° | 180.0° |
| S29 | C44 | C45 | N48 | 99.8° | 90.0° |
| S29 | C44 | C45 | H46 | 139.4° | 150.0° |
| S29 | C44 | C45 | H45 | 21.0° | 30.0° |
| S29 | C44 | C42 | H42 | 180.0° | 179.8° |
| C44 | C45 | N48 | H46 | 120.8° | 120.0° |
| C44 | C45 | N48 | H45 | 120.8° | 120.0° |
| C44 | C45 | N48 | C26 | 82.3° | 66.0° |
| C44 | C45 | N48 | C50 | 162.8° | 169.8° |
| C44 | C45 | H46 | H45 | 117.5° | 120.0° |
| C45 | C44 | C42 | H42 | 1.2° | 0.1° |
| C45 | N48 | C26 | C50 | 120.8° | 124.1° |
| C45 | N48 | C26 | C23 | 163.0° | 174.1° |
| C45 | N48 | C50 | C64 | 172.2° | 174.1° |
| C45 | N48 | C50 | H50 | 67.0° | 65.8° |
| C45 | N48 | C50 | H51 | 51.4° | 54.1° |
| C45 | N48 | C26 | H27 | 77.3° | 54.1° |
| C45 | N48 | C26 | H26 | 43.3° | 65.9° |
| N48 | C45 | H46 | H45 | 117.5° | 120.0° |
| N48 | C26 | C23 | H27 | 119.7° | 120.1° |
| N48 | C26 | C23 | H26 | 119.7° | 120.0° |
| C26 | N48 | C50 | C64 | 54.5° | 61.8° |
| N48 | C26 | C23 | C66 | 74.3° | 59.1° |
| C26 | N48 | C50 | H50 | 175.4° | 58.3° |
| C26 | N48 | C50 | H51 | 66.3° | 178.2° |
| N48 | C26 | C23 | H24 | 166.2° | 60.8° |
| N48 | C26 | C23 | H23 | 45.3° | 179.1° |
| N48 | C26 | H27 | H26 | 120.8° | 120.0° |
| C26 | N48 | C45 | H46 | 156.8° | 54.0° |
| C26 | N48 | C45 | H45 | 38.5° | 174.0° |
| C50 | N48 | C26 | C23 | 76.2° | 61.7° |
| N48 | C50 | C64 | H50 | 120.8° | 120.1° |
| N48 | C50 | C64 | H51 | 120.8° | 120.0° |
| N48 | C50 | C64 | C66 | 33.6° | 59.2° |
| N48 | C50 | C64 | C63 | 157.5° | 179.1° |
| N48 | C50 | C64 | H64 | 83.0° | 60.7° |
| N48 | C50 | H50 | H51 | 117.4° | 120.0° |
| C50 | N48 | C26 | H27 | 43.5° | 178.2° |
| C50 | N48 | C26 | H26 | 164.1° | 58.2° |
| C50 | N48 | C45 | H46 | 41.9° | 70.2° |
| C50 | N48 | C45 | H45 | 76.4° | 49.8° |
| C26 | C23 | C66 | H24 | 119.5° | 119.9° |
| C26 | C23 | C66 | H23 | 119.5° | 120.0° |
| C26 | C23 | C66 | C64 | 49.0° | 57.6° |
| C26 | C23 | C66 | C69 | 174.4° | 177.5° |
| C26 | C23 | C66 | H66 | 67.9° | 62.3° |
| C26 | C23 | H24 | H23 | 121.4° | 120.1° |
| C23 | C26 | H27 | H26 | 120.9° | 119.9° |
| C50 | C64 | C66 | C23 | 30.3° | 57.6° |
| C50 | C64 | C66 | C63 | 128.2° | 119.9° |
| C50 | C64 | C66 | H64 | 116.2° | 120.0° |
| C50 | C64 | C63 | H64 | 118.2° | 120.2° |
| C50 | C64 | C66 | C69 | 160.2° | 177.6° |
| C50 | C64 | C63 | C61 | 57.7° | 59.5° |
| C50 | C64 | C63 | C53 | 125.1° | 120.2° |
| C50 | C64 | C66 | H66 | 86.8° | 62.3° |
| C64 | C50 | H50 | H51 | 117.4° | 120.0° |
| C23 | C66 | C64 | C69 | 129.9° | 119.9° |
| C23 | C66 | C64 | H66 | 117.1° | 120.0° |
| C23 | C66 | C64 | C63 | 158.5° | 177.6° |
| C23 | C66 | C69 | H66 | 117.7° | 120.2° |
| C23 | C66 | C69 | O68 | 88.0° | 97.0° |
| C23 | C66 | C69 | N73 | 101.7° | 83.0° |
| C23 | C66 | C64 | H64 | 85.9° | 62.4° |
| C66 | C23 | H24 | H23 | 121.4° | 120.1° |
| C66 | C23 | C26 | H27 | 45.4° | 179.2° |
| C66 | C23 | C26 | H26 | 166.0° | 60.9° |
| C66 | C64 | C63 | H64 | 114.4° | 120.0° |
| C64 | C66 | C69 | H66 | 113.0° | 120.1° |
| C66 | C64 | C63 | C61 | 69.7° | 60.3° |
| C66 | C64 | C63 | C53 | 107.6° | 120.1° |
| C64 | C66 | C69 | O68 | 41.3° | 22.8° |
| C64 | C66 | C69 | N73 | 129.0° | 157.3° |
| C66 | C64 | C50 | H50 | 154.4° | 60.9° |
| C66 | C64 | C50 | H51 | 87.3° | 179.2° |
| C64 | C66 | C23 | H24 | 168.5° | 62.3° |
| C64 | C66 | C23 | H23 | 70.5° | 177.6° |
| C63 | C64 | C66 | C69 | 71.6° | 62.5° |
| C64 | C63 | C61 | C53 | 177.2° | 179.6° |
| C64 | C63 | C61 | C59 | 178.4° | 179.7° |
| C64 | C63 | C53 | C55 | 177.8° | 180.0° |
| C63 | C64 | C66 | H66 | 41.5° | 57.6° |
| C63 | C64 | C50 | H50 | 81.7° | 59.1° |
| C63 | C64 | C50 | H51 | 36.7° | 60.9° |
| C64 | C63 | C53 | H53 | 2.2° | 0.1° |
| C64 | C63 | C61 | H61 | 1.6° | 0.1° |
| C66 | C69 | O68 | N73 | 169.7° | 179.9° |
| C66 | C69 | N73 | C70 | 3.0° | 4.9° |
| C66 | C69 | N73 | C74 | 167.9° | 175.1° |
| C69 | C66 | C64 | H64 | 44.0° | 57.6° |
| C69 | C66 | C23 | H24 | 66.0° | 57.6° |
| C69 | C66 | C23 | H23 | 54.9° | 62.5° |
| C63 | C61 | C59 | H61 | 180.0° | 179.6° |
| C63 | C61 | C59 | C57 | 0.7° | 0.6° |
| C61 | C63 | C53 | C55 | 0.5° | 0.3° |
| C61 | C63 | C64 | H64 | 175.9° | 179.6° |
| C61 | C63 | C53 | H53 | 179.5° | 179.7° |
| C63 | C61 | C59 | H59 | 179.3° | 179.7° |
| C59 | C61 | C63 | C53 | 1.2° | 0.6° |
| C61 | C59 | C57 | H59 | 180.0° | 179.7° |
| C61 | C59 | C57 | C55 | 0.6° | 0.3° |
| C61 | C59 | C57 | H57 | 179.4° | 179.7° |
| C63 | C53 | C55 | H53 | 180.0° | 180.0° |
| C63 | C53 | C55 | C57 | 0.8° | 0.0° |
| C53 | C63 | C64 | H64 | 6.9° | 0.0° |
| C63 | C53 | C55 | H55 | 179.2° | 179.9° |
| C53 | C63 | C61 | H61 | 178.8° | 179.7° |
| C59 | C57 | C55 | C53 | 1.3° | 0.0° |
| C59 | C57 | C55 | H57 | 180.0° | 179.9° |
| C59 | C57 | C55 | H55 | 178.7° | 179.9° |
| C57 | C59 | C61 | H61 | 179.3° | 179.7° |
| C53 | C55 | C57 | H55 | 180.0° | 179.9° |
| C53 | C55 | C57 | H57 | 178.7° | 180.0° |
| O68 | C69 | N73 | C70 | 173.6° | 175.1° |
| O68 | C69 | N73 | C74 | 2.7° | 4.8° |
| O68 | C69 | C66 | H66 | 154.3° | 142.9° |
| C69 | N73 | C70 | C74 | 170.9° | 179.9° |
| C69 | N73 | C70 | C81 | 122.1° | 126.3° |
| C69 | N73 | C74 | C77 | 114.8° | 126.4° |
| C69 | N73 | C70 | H70 | 2.0° | 113.8° |
| C69 | N73 | C70 | H71 | 117.8° | 6.5° |
| C69 | N73 | C74 | H75 | 125.6° | 6.6° |
| C69 | N73 | C74 | H74 | 4.7° | 113.8° |
| N73 | C69 | C66 | H66 | 16.0° | 37.2° |
| C57 | C55 | C53 | H53 | 179.2° | 180.0° |
| C55 | C57 | C59 | H59 | 179.4° | 180.0° |
| N73 | C70 | C81 | H70 | 120.1° | 119.7° |
| N73 | C70 | C81 | H71 | 120.1° | 119.8° |
| N73 | C70 | C81 | C80 | 48.6° | 54.6° |
| C70 | N73 | C74 | C77 | 56.5° | 53.6° |
| N73 | C70 | C81 | H82 | 71.2° | 174.5° |
| N73 | C70 | C81 | H81 | 168.4° | 65.3° |
| N73 | C70 | H70 | H71 | 119.7° | 120.3° |
| C70 | N73 | C74 | H75 | 63.0° | 173.4° |
| C70 | N73 | C74 | H74 | 176.1° | 66.3° |
| C81 | C70 | N73 | C74 | 48.9° | 53.6° |
| C70 | C81 | C80 | H82 | 119.8° | 119.9° |
| C70 | C81 | C80 | H81 | 119.8° | 120.0° |
| C70 | C81 | C80 | C77 | 61.6° | 61.3° |
| C70 | C81 | C80 | O01 | 57.6° | 58.7° |
| C70 | C81 | C80 | C20 | 173.0° | 178.6° |
| C70 | C81 | H82 | H81 | 120.5° | 120.1° |
| C81 | C70 | H70 | H71 | 119.8° | 120.4° |
| N73 | C74 | C77 | H75 | 119.5° | 119.7° |
| N73 | C74 | C77 | H74 | 119.5° | 119.9° |
| N73 | C74 | C77 | C80 | 65.7° | 54.7° |
| C74 | N73 | C70 | H70 | 169.0° | 66.2° |
| C74 | N73 | C70 | H71 | 71.2° | 173.4° |
| N73 | C74 | C77 | H78 | 174.7° | 65.3° |
| N73 | C74 | C77 | H77 | 54.0° | 174.6° |
| N73 | C74 | H75 | H74 | 121.4° | 120.4° |
| C81 | C80 | C77 | C74 | 71.4° | 61.4° |
| C81 | C80 | C77 | O01 | 117.4° | 120.0° |
| C81 | C80 | C77 | C20 | 127.6° | 120.0° |
| C81 | C80 | O01 | C20 | 122.9° | 119.9° |
| C81 | C80 | C20 | N19 | 56.3° | 175.0° |
| C81 | C80 | C20 | H21 | 175.8° | 64.9° |
| C81 | C80 | C20 | H20 | 63.2° | 55.1° |
| C80 | C81 | H82 | H81 | 120.5° | 120.0° |
| C80 | C81 | C70 | H70 | 168.7° | 65.1° |
| C80 | C81 | C70 | H71 | 71.4° | 174.4° |
| C81 | C80 | O01 | H01 | 180.0° | 180.0° |
| C81 | C80 | C77 | H78 | 169.0° | 58.6° |
| C81 | C80 | C77 | H77 | 48.3° | 178.6° |
| C74 | C77 | C80 | H78 | 119.6° | 120.0° |
| C74 | C77 | C80 | H77 | 119.6° | 120.0° |
| C74 | C77 | C80 | O01 | 46.1° | 58.6° |
| C74 | C77 | C80 | C20 | 161.0° | 178.6° |
| C74 | C77 | H78 | H77 | 121.0° | 120.1° |
| C77 | C74 | H75 | H74 | 121.4° | 120.3° |
| O03 | C04 | C14 | C12 | 1.3° | 0.0° |
| O03 | C04 | C14 | N19 | 179.0° | 179.7° |
| O03 | C04 | C14 | C15 | 180.0° | 179.9° |
| O03 | C04 | N19 | C20 | 1.3° | 0.0° |
| O03 | C04 | N19 | C17 | 179.7° | 179.7° |
| C10 | C12 | C14 | H12 | 180.0° | 179.9° |
| C12 | C10 | N09 | H10 | 180.0° | 180.0° |
| C10 | C12 | C14 | C04 | 178.5° | 180.0° |
| C10 | C12 | C14 | C15 | 0.3° | 0.1° |
| C12 | C10 | N09 | C15 | 1.1° | 0.0° |
| C12 | C10 | N09 | C05 | 179.8° | 180.0° |
| C14 | C12 | C10 | N09 | 0.9° | 0.0° |
| C12 | C14 | C04 | C15 | 178.7° | 179.9° |
| C12 | C14 | C04 | N19 | 179.7° | 179.7° |
| C12 | C14 | C15 | N09 | 0.3° | 0.0° |
| C12 | C14 | C15 | N16 | 179.1° | 180.0° |
| C14 | C12 | C10 | H10 | 179.1° | 179.9° |
| C77 | C80 | O01 | C20 | 119.9° | 120.0° |
| C77 | C80 | C20 | N19 | 179.5° | 54.9° |
| C77 | C80 | C20 | H21 | 61.0° | 175.0° |
| C77 | C80 | C20 | H20 | 60.0° | 65.0° |
| C77 | C80 | C81 | H82 | 58.3° | 178.7° |
| C77 | C80 | C81 | H81 | 178.6° | 58.6° |
| C77 | C80 | O01 | H01 | 62.8° | 60.0° |
| C80 | C77 | H78 | H77 | 121.0° | 120.1° |
| C80 | C77 | C74 | H75 | 53.9° | 174.4° |
| C80 | C77 | C74 | H74 | 174.8° | 65.3° |
| C10 | N09 | C15 | C14 | 0.9° | 0.0° |
| C10 | N09 | C15 | C05 | 179.2° | 180.0° |
| C10 | N09 | C15 | N16 | 178.5° | 180.0° |
| N09 | C10 | C12 | H12 | 179.1° | 179.9° |
| C10 | N09 | C05 | H05 | 180.0° | 90.0° |
| C10 | N09 | C05 | H06 | 60.0° | 150.0° |
| C10 | N09 | C05 | H07 | 60.0° | 30.1° |
| O01 | C80 | C20 | N19 | 61.5° | 65.1° |
| O01 | C80 | C20 | H21 | 58.0° | 55.0° |
| O01 | C80 | C20 | H20 | 179.1° | 175.0° |
| O01 | C80 | C81 | H82 | 177.4° | 61.3° |
| O01 | C80 | C81 | H81 | 62.2° | 178.6° |
| O01 | C80 | C77 | H78 | 73.6° | 178.6° |
| O01 | C80 | C77 | H77 | 165.7° | 61.4° |
| C80 | C20 | N19 | C04 | 89.3° | 90.0° |
| C80 | C20 | N19 | H21 | 119.5° | 120.1° |
| C80 | C20 | N19 | H20 | 119.5° | 119.9° |
| C80 | C20 | N19 | C17 | 89.1° | 89.7° |
| C80 | C20 | H21 | H20 | 121.5° | 120.0° |
| C20 | C80 | C81 | H82 | 67.2° | 58.7° |
| C20 | C80 | C81 | H81 | 53.2° | 61.4° |
| C20 | C80 | O01 | H01 | 57.1° | 60.1° |
| C20 | C80 | C77 | H78 | 41.4° | 61.4° |
| C20 | C80 | C77 | H77 | 79.3° | 58.6° |
| C04 | C14 | C15 | N09 | 179.3° | 180.0° |
| C04 | C14 | C15 | N16 | 0.1° | 0.1° |
| C14 | C04 | N19 | C20 | 177.6° | 179.7° |
| C14 | C04 | N19 | C17 | 0.7° | 0.6° |
| C04 | C14 | C12 | H12 | 1.5° | 0.1° |
| C15 | C14 | C04 | N19 | 1.0° | 0.2° |
| C14 | C15 | N09 | N16 | 179.4° | 180.0° |
| C14 | C15 | N09 | C05 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 1.0° | 0.0° |
| C15 | C14 | C12 | H12 | 179.6° | 179.9° |
| C04 | N19 | C20 | C17 | 178.4° | 179.7° |
| C04 | N19 | C17 | N16 | 0.3° | 0.7° |
| C04 | N19 | C17 | H17 | 179.7° | 179.7° |
| C04 | N19 | C20 | H21 | 151.2° | 150.0° |
| C04 | N19 | C20 | H20 | 30.2° | 30.0° |
| N09 | C15 | N16 | C17 | 179.7° | 180.0° |
| C15 | N09 | C10 | H10 | 178.9° | 179.9° |
| C15 | N09 | C05 | H05 | 1.0° | 90.0° |
| C15 | N09 | C05 | H06 | 119.0° | 30.0° |
| C15 | N09 | C05 | H07 | 121.0° | 150.0° |
| C05 | N09 | C15 | N16 | 0.7° | 0.0° |
| C05 | N09 | C10 | H10 | 0.2° | 0.1° |
| N09 | C05 | H05 | H06 | 120.0° | 120.0° |
| N09 | C05 | H05 | H07 | 120.0° | 120.0° |
| N09 | C05 | H06 | H07 | 120.0° | 120.0° |
| C15 | N16 | C17 | N19 | 1.2° | 0.4° |
| C15 | N16 | C17 | H17 | 178.9° | 180.0° |
| C20 | N19 | C17 | N16 | 178.8° | 179.6° |
| C20 | N19 | C17 | H17 | 1.3° | 0.0° |
| N19 | C20 | H21 | H20 | 121.5° | 120.0° |
| N19 | C17 | N16 | H17 | 180.0° | 179.6° |
| C17 | N19 | C20 | H21 | 30.4° | 30.4° |
| C17 | N19 | C20 | H20 | 151.5° | 150.4° |
| H12 | C12 | C10 | H10 | 0.9° | 0.0° |
| H05 | C05 | H06 | H07 | 120.0° | 120.0° |
| H82 | C81 | C70 | H70 | 48.9° | 54.8° |
| H82 | C81 | C70 | H71 | 168.7° | 65.7° |
| H81 | C81 | C70 | H70 | 71.5° | 174.9° |
| H81 | C81 | C70 | H71 | 48.3° | 54.5° |
| H78 | C77 | C74 | H75 | 65.8° | 54.4° |
| H78 | C77 | C74 | H74 | 55.2° | 174.7° |
| H77 | C77 | C74 | H75 | 173.5° | 65.6° |
| H77 | C77 | C74 | H74 | 65.6° | 54.7° |
| H66 | C66 | C64 | H64 | 157.0° | 177.7° |
| H66 | C66 | C23 | H24 | 51.6° | 177.7° |
| H66 | C66 | C23 | H23 | 172.5° | 57.7° |
| H64 | C64 | C50 | H50 | 37.9° | 179.2° |
| H64 | C64 | C50 | H51 | 156.2° | 59.2° |
| H53 | C53 | C55 | H55 | 0.8° | 0.1° |
| H55 | C55 | C57 | H57 | 1.3° | 0.1° |
| H57 | C57 | C59 | H59 | 0.6° | 0.1° |
| H59 | C59 | C61 | H61 | 0.7° | 0.1° |
| H24 | C23 | C26 | H27 | 74.1° | 59.3° |
| H24 | C23 | C26 | H26 | 46.5° | 179.2° |
| H23 | C23 | C26 | H27 | 164.9° | 60.8° |
| H23 | C23 | C26 | H26 | 74.4° | 59.1° |
| H42 | C42 | C40 | H40 | 0.2° | 0.1° |
