AKC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.35Å | 1.33Å | |
| O01 | C44 | sing | 1.45Å | 1.47Å | |
| C02 | O03 | doub | 1.21Å | 1.21Å | |
| C02 | NP4 | sing | 1.35Å | 1.35Å | |
| NP4 | C05 | sing | 1.46Å | 1.49Å | |
| NP4 | HP4 | sing | 0.97Å | 1.02Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C05 | C36 | sing | 1.53Å | 1.53Å | |
| C05 | H05 | sing | 1.09Å | 1.11Å | |
| C06 | O07 | sing | 1.43Å | 1.34Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | H06 | sing | 1.09Å | 1.11Å | |
| O07 | H07 | sing | 0.97Å | 0.95Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | H081 | sing | 1.09Å | 1.12Å | |
| C08 | H082 | sing | 1.09Å | 1.11Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C17 | sing | 1.52Å | 1.55Å | |
| C09 | N29 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.46Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.46Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | O18 | doub | 1.22Å | 1.20Å | |
| C17 | C35 | sing | 1.41Å | 1.47Å | |
| C19 | C20 | sing | 1.54Å | 1.56Å | |
| C19 | C28 | sing | 1.51Å | 1.47Å | |
| C19 | C35 | sing | 1.51Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| C20 | C22 | sing | 1.56Å | 1.55Å | |
| C20 | O49 | sing | 1.46Å | 1.44Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.48Å | |
| C22 | N50 | sing | 1.49Å | 1.38Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | doub | 1.39Å | 1.44Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.46Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| N29 | C30 | sing | 1.36Å | 1.36Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C35 | doub | 1.35Å | 1.45Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.38Å | 1.46Å | Aromatic |
| C37 | C42 | doub | 1.38Å | 1.47Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.45Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.38Å | 1.45Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.46Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.38Å | 1.46Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C45 | O46 | sing | 1.43Å | 1.43Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| O46 | C47 | sing | 1.43Å | 1.45Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.12Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C48 | H483 | sing | 1.09Å | 1.12Å | |
| O49 | C51 | sing | 1.34Å | 1.31Å | |
| N50 | C51 | sing | 1.34Å | 1.34Å | |
| N50 | H50 | sing | 0.97Å | 1.02Å | |
| C51 | O52 | doub | 1.21Å | 1.18Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | C44 | 118.5° | 120.0° |
| O01 | C02 | O03 | 121.4° | 120.0° |
| O01 | C02 | NP4 | 112.9° | 120.0° |
| O01 | C44 | C45 | 110.8° | 109.5° |
| O01 | C44 | H441 | 111.7° | 109.5° |
| O01 | C44 | H442 | 111.7° | 109.5° |
| O03 | C02 | NP4 | 125.6° | 120.0° |
| C02 | NP4 | C05 | 121.6° | 120.0° |
| C02 | NP4 | HP4 | 114.0° | 120.0° |
| C05 | NP4 | HP4 | 124.4° | 120.0° |
| NP4 | C05 | C06 | 112.6° | 109.5° |
| NP4 | C05 | C36 | 109.4° | 109.5° |
| NP4 | C05 | H05 | 107.6° | 109.5° |
| C06 | C05 | C36 | 110.0° | 109.4° |
| C06 | C05 | H05 | 106.9° | 109.5° |
| C05 | C06 | O07 | 114.9° | 109.5° |
| C05 | C06 | C08 | 109.5° | 109.5° |
| C05 | C06 | H06 | 105.2° | 109.5° |
| C36 | C05 | H05 | 110.3° | 109.5° |
| C05 | C36 | C37 | 111.5° | 109.5° |
| C05 | C36 | H361 | 111.4° | 109.5° |
| C05 | C36 | H362 | 111.5° | 109.5° |
| O07 | C06 | C08 | 107.9° | 109.5° |
| O07 | C06 | H06 | 106.9° | 109.4° |
| C06 | O07 | H07 | 114.9° | 106.7° |
| C08 | C06 | H06 | 112.6° | 109.4° |
| C06 | C08 | C09 | 111.6° | 109.5° |
| C06 | C08 | H081 | 111.4° | 109.4° |
| C06 | C08 | H082 | 111.4° | 109.5° |
| C09 | C08 | H081 | 111.4° | 109.4° |
| C09 | C08 | H082 | 111.4° | 109.5° |
| C08 | C09 | C10 | 113.1° | 110.5° |
| C08 | C09 | C17 | 109.1° | 110.5° |
| C08 | C09 | N29 | 112.9° | 110.5° |
| H081 | C08 | H082 | 99.0° | 109.5° |
| C10 | C09 | C17 | 110.5° | 110.5° |
| C10 | C09 | N29 | 109.5° | 110.5° |
| C09 | C10 | C11 | 115.2° | 109.5° |
| C09 | C10 | H101 | 110.1° | 109.4° |
| C09 | C10 | H102 | 110.2° | 109.4° |
| C17 | C09 | N29 | 101.1° | 104.2° |
| C09 | C17 | O18 | 125.6° | 127.5° |
| C09 | C17 | C35 | 109.1° | 105.2° |
| C09 | N29 | C30 | 113.6° | 107.6° |
| C09 | N29 | H29 | 110.7° | 126.2° |
| C11 | C10 | H101 | 110.2° | 109.5° |
| C11 | C10 | H102 | 110.2° | 109.5° |
| C10 | C11 | C12 | 118.0° | 120.0° |
| C10 | C11 | C16 | 119.9° | 120.0° |
| H101 | C10 | H102 | 100.1° | 109.5° |
| C12 | C11 | C16 | 122.1° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C11 | C12 | H12 | 120.8° | 119.9° |
| C11 | C16 | C15 | 116.7° | 120.0° |
| C11 | C16 | H16 | 122.2° | 120.0° |
| C13 | C12 | H12 | 118.7° | 120.0° |
| C12 | C13 | C14 | 117.6° | 120.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C14 | C13 | H13 | 121.6° | 120.0° |
| C13 | C14 | C15 | 123.0° | 120.0° |
| C13 | C14 | H14 | 117.9° | 120.0° |
| C15 | C14 | H14 | 119.1° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | H16 | 121.1° | 120.0° |
| O18 | C17 | C35 | 125.2° | 127.2° |
| C17 | C35 | C19 | 127.1° | 124.7° |
| C17 | C35 | C30 | 104.5° | 110.5° |
| C20 | C19 | C28 | 103.7° | 105.8° |
| C20 | C19 | C35 | 110.2° | 110.2° |
| C20 | C19 | H19 | 114.5° | 110.2° |
| C19 | C20 | C22 | 103.5° | 102.7° |
| C19 | C20 | O49 | 114.7° | 109.9° |
| C19 | C20 | H20 | 106.4° | 113.2° |
| C28 | C19 | C35 | 114.2° | 110.2° |
| C28 | C19 | H19 | 110.6° | 110.2° |
| C19 | C28 | C23 | 109.4° | 109.8° |
| C19 | C28 | C27 | 128.1° | 130.5° |
| C35 | C19 | H19 | 104.0° | 110.2° |
| C19 | C35 | C30 | 128.3° | 124.8° |
| C22 | C20 | O49 | 95.0° | 103.2° |
| C22 | C20 | H20 | 123.5° | 113.5° |
| C20 | C22 | C23 | 104.9° | 105.2° |
| C20 | C22 | N50 | 104.9° | 101.1° |
| C20 | C22 | H22 | 121.3° | 114.6° |
| O49 | C20 | H20 | 113.6° | 113.3° |
| C20 | O49 | C51 | 110.3° | 108.5° |
| C23 | C22 | N50 | 123.3° | 108.5° |
| C23 | C22 | H22 | 102.0° | 113.2° |
| C22 | C23 | C24 | 126.5° | 130.0° |
| C22 | C23 | C28 | 110.5° | 110.1° |
| N50 | C22 | H22 | 102.0° | 113.3° |
| C22 | N50 | C51 | 103.9° | 108.4° |
| C22 | N50 | H50 | 129.1° | 125.6° |
| C24 | C23 | C28 | 122.6° | 119.9° |
| C23 | C24 | C25 | 115.5° | 120.2° |
| C23 | C24 | H24 | 121.8° | 119.9° |
| C23 | C28 | C27 | 122.0° | 119.6° |
| C25 | C24 | H24 | 122.7° | 119.8° |
| C24 | C25 | C26 | 121.9° | 119.9° |
| C24 | C25 | H25 | 119.5° | 120.1° |
| C26 | C25 | H25 | 118.6° | 120.0° |
| C25 | C26 | C27 | 121.2° | 119.9° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C27 | C26 | H26 | 119.0° | 120.0° |
| C26 | C27 | C28 | 116.7° | 120.4° |
| C26 | C27 | H27 | 121.1° | 119.9° |
| C28 | C27 | H27 | 122.2° | 119.7° |
| C30 | N29 | H29 | 110.7° | 126.2° |
| N29 | C30 | C35 | 110.9° | 112.4° |
| N29 | C30 | H30 | 122.0° | 123.8° |
| C35 | C30 | H30 | 127.1° | 123.8° |
| C37 | C36 | H361 | 111.5° | 109.4° |
| C37 | C36 | H362 | 111.5° | 109.5° |
| C36 | C37 | C38 | 118.9° | 120.0° |
| C36 | C37 | C42 | 118.8° | 120.0° |
| H361 | C36 | H362 | 98.9° | 109.5° |
| C38 | C37 | C42 | 122.3° | 120.0° |
| C37 | C38 | C39 | 118.5° | 120.0° |
| C37 | C38 | H38 | 121.0° | 120.0° |
| C37 | C42 | C41 | 119.0° | 120.0° |
| C37 | C42 | H42 | 120.8° | 120.0° |
| C39 | C38 | H38 | 120.5° | 119.9° |
| C38 | C39 | C40 | 118.7° | 120.0° |
| C38 | C39 | H39 | 120.8° | 120.0° |
| C40 | C39 | H39 | 120.6° | 120.0° |
| C39 | C40 | C41 | 123.7° | 120.0° |
| C39 | C40 | H40 | 117.9° | 120.0° |
| C41 | C40 | H40 | 118.3° | 120.0° |
| C40 | C41 | C42 | 117.7° | 120.0° |
| C40 | C41 | H41 | 121.1° | 120.0° |
| C42 | C41 | H41 | 121.2° | 120.0° |
| C41 | C42 | H42 | 120.2° | 120.0° |
| C45 | C44 | H441 | 111.7° | 109.5° |
| C45 | C44 | H442 | 111.7° | 109.5° |
| C44 | C45 | O46 | 104.1° | 109.5° |
| C44 | C45 | H451 | 114.2° | 109.4° |
| C44 | C45 | H452 | 114.2° | 109.5° |
| H441 | C44 | H442 | 98.7° | 109.5° |
| O46 | C45 | H451 | 114.2° | 109.5° |
| O46 | C45 | H452 | 114.2° | 109.5° |
| C45 | O46 | C47 | 106.9° | 106.8° |
| H451 | C45 | H452 | 96.3° | 109.4° |
| O46 | C47 | C48 | 106.7° | 109.5° |
| O46 | C47 | H471 | 113.2° | 109.4° |
| O46 | C47 | H472 | 113.2° | 109.5° |
| C48 | C47 | H471 | 113.2° | 109.4° |
| C48 | C47 | H472 | 113.2° | 109.5° |
| C47 | C48 | H481 | 106.8° | 109.5° |
| C47 | C48 | H482 | 113.2° | 109.5° |
| C47 | C48 | H483 | 113.2° | 109.5° |
| H471 | C47 | H472 | 97.3° | 109.5° |
| H481 | C48 | H482 | 113.3° | 109.5° |
| H481 | C48 | H483 | 113.2° | 109.5° |
| H482 | C48 | H483 | 97.2° | 109.4° |
| O49 | C51 | N50 | 112.0° | 113.5° |
| O49 | C51 | O52 | 121.5° | 123.2° |
| C51 | N50 | H50 | 127.0° | 126.0° |
| N50 | C51 | O52 | 126.4° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | NP4 | 178.6° | 180.0° |
| O01 | C02 | NP4 | C05 | 180.0° | 180.0° |
| O01 | C02 | NP4 | HP4 | 0.0° | 0.0° |
| C02 | O01 | C44 | C45 | 166.0° | 180.0° |
| C02 | O01 | C44 | H441 | 40.7° | 60.0° |
| C02 | O01 | C44 | H442 | 68.8° | 60.0° |
| C44 | O01 | C02 | O03 | 5.2° | 0.0° |
| C44 | O01 | C02 | NP4 | 176.1° | 180.0° |
| O01 | C44 | C45 | H441 | 125.3° | 120.0° |
| O01 | C44 | C45 | H442 | 125.2° | 120.0° |
| O01 | C44 | H441 | H442 | 117.6° | 120.0° |
| O01 | C44 | C45 | O46 | 81.8° | 65.0° |
| O01 | C44 | C45 | H451 | 43.4° | 55.0° |
| O01 | C44 | C45 | H452 | 153.0° | 175.0° |
| O03 | C02 | NP4 | C05 | 1.3° | 0.0° |
| O03 | C02 | NP4 | HP4 | 178.7° | 180.0° |
| C02 | NP4 | C05 | HP4 | 180.0° | 180.0° |
| C02 | NP4 | C05 | C06 | 100.7° | 155.0° |
| C02 | NP4 | C05 | C36 | 136.7° | 85.0° |
| C02 | NP4 | C05 | H05 | 16.8° | 35.0° |
| NP4 | C05 | C06 | C36 | 122.2° | 120.0° |
| NP4 | C05 | C06 | H05 | 118.0° | 120.0° |
| NP4 | C05 | C36 | H05 | 118.2° | 120.0° |
| NP4 | C05 | C06 | O07 | 59.5° | 60.0° |
| NP4 | C05 | C06 | C08 | 62.0° | 60.0° |
| NP4 | C05 | C06 | H06 | 176.8° | 180.0° |
| NP4 | C05 | C36 | C37 | 61.3° | 65.0° |
| NP4 | C05 | C36 | H361 | 64.0° | 54.9° |
| NP4 | C05 | C36 | H362 | 173.4° | 175.0° |
| HP4 | NP4 | C05 | C06 | 79.2° | 25.0° |
| HP4 | NP4 | C05 | C36 | 43.3° | 94.9° |
| HP4 | NP4 | C05 | H05 | 163.2° | 145.0° |
| C06 | C05 | C36 | H05 | 117.7° | 120.0° |
| C05 | C06 | O07 | C08 | 122.5° | 120.0° |
| C05 | C06 | O07 | H06 | 116.3° | 120.0° |
| C05 | C06 | C08 | H06 | 116.7° | 120.0° |
| C05 | C06 | O07 | H07 | 180.0° | 60.0° |
| C05 | C06 | C08 | C09 | 141.9° | 175.0° |
| C05 | C06 | C08 | H081 | 92.8° | 65.1° |
| C05 | C06 | C08 | H082 | 16.6° | 55.0° |
| C06 | C05 | C36 | C37 | 174.6° | 175.0° |
| C06 | C05 | C36 | H361 | 60.1° | 65.0° |
| C06 | C05 | C36 | H362 | 49.3° | 55.0° |
| C36 | C05 | C06 | O07 | 62.7° | 60.0° |
| C36 | C05 | C06 | C08 | 175.8° | 180.0° |
| C36 | C05 | C06 | H06 | 54.5° | 60.0° |
| C05 | C36 | C37 | H361 | 125.2° | 120.0° |
| C05 | C36 | C37 | H362 | 125.3° | 120.0° |
| C05 | C36 | H361 | H362 | 117.4° | 120.0° |
| C05 | C36 | C37 | C38 | 67.3° | 90.3° |
| C05 | C36 | C37 | C42 | 109.8° | 90.0° |
| H05 | C05 | C06 | O07 | 177.5° | 180.0° |
| H05 | C05 | C06 | C08 | 55.9° | 60.0° |
| H05 | C05 | C06 | H06 | 65.3° | 60.0° |
| H05 | C05 | C36 | C37 | 56.9° | 55.0° |
| H05 | C05 | C36 | H361 | 177.8° | 174.9° |
| H05 | C05 | C36 | H362 | 68.4° | 65.0° |
| O07 | C06 | C08 | H06 | 117.7° | 120.0° |
| O07 | C06 | C08 | C09 | 92.4° | 64.9° |
| O07 | C06 | C08 | H081 | 32.8° | 55.0° |
| O07 | C06 | C08 | H082 | 142.3° | 175.0° |
| C08 | C06 | O07 | H07 | 57.5° | 60.0° |
| C06 | C08 | C09 | H081 | 125.2° | 119.9° |
| C06 | C08 | C09 | H082 | 125.3° | 120.1° |
| C06 | C08 | H081 | H082 | 117.3° | 120.0° |
| C06 | C08 | C09 | C10 | 167.2° | 180.0° |
| C06 | C08 | C09 | C17 | 69.4° | 57.5° |
| C06 | C08 | C09 | N29 | 42.2° | 57.4° |
| H06 | C06 | O07 | H07 | 63.7° | 180.0° |
| H06 | C06 | C08 | C09 | 25.3° | 55.0° |
| H06 | C06 | C08 | H081 | 150.5° | 175.0° |
| H06 | C06 | C08 | H082 | 100.0° | 65.0° |
| C09 | C08 | H081 | H082 | 117.3° | 120.0° |
| C08 | C09 | C10 | C17 | 122.7° | 122.6° |
| C08 | C09 | C10 | N29 | 126.9° | 122.6° |
| C08 | C09 | C17 | N29 | 119.2° | 118.7° |
| C08 | C09 | C10 | C11 | 168.9° | 175.0° |
| C08 | C09 | C10 | H101 | 65.9° | 55.0° |
| C08 | C09 | C10 | H102 | 43.5° | 64.9° |
| C08 | C09 | C17 | O18 | 59.6° | 61.3° |
| C08 | C09 | C17 | C35 | 124.5° | 118.6° |
| C08 | C09 | N29 | C30 | 116.0° | 118.6° |
| C08 | C09 | N29 | H29 | 118.8° | 61.4° |
| H081 | C08 | C09 | C10 | 41.9° | 60.0° |
| H081 | C08 | C09 | C17 | 165.4° | 177.4° |
| H081 | C08 | C09 | N29 | 83.1° | 62.6° |
| H082 | C08 | C09 | C10 | 67.5° | 60.0° |
| H082 | C08 | C09 | C17 | 55.9° | 62.6° |
| H082 | C08 | C09 | N29 | 167.5° | 177.4° |
| C10 | C09 | C17 | N29 | 115.8° | 118.7° |
| C09 | C10 | C11 | H101 | 125.2° | 120.0° |
| C09 | C10 | C11 | H102 | 125.3° | 120.0° |
| C09 | C10 | H101 | H102 | 116.0° | 119.9° |
| C09 | C10 | C11 | C12 | 87.6° | 90.0° |
| C09 | C10 | C11 | C16 | 90.6° | 90.3° |
| C10 | C09 | C17 | O18 | 65.4° | 61.3° |
| C10 | C09 | C17 | C35 | 110.5° | 118.8° |
| C10 | C09 | N29 | C30 | 117.1° | 118.8° |
| C10 | C09 | N29 | H29 | 8.2° | 61.2° |
| C17 | C09 | C10 | C11 | 46.2° | 62.4° |
| C17 | C09 | C10 | H101 | 171.5° | 177.5° |
| C17 | C09 | C10 | H102 | 79.1° | 57.6° |
| C09 | C17 | O18 | C35 | 175.3° | 179.9° |
| C09 | C17 | C35 | C19 | 167.6° | 180.0° |
| C17 | C09 | N29 | C30 | 0.5° | 0.1° |
| C17 | C09 | N29 | H29 | 124.8° | 179.9° |
| C09 | C17 | C35 | C30 | 8.7° | 0.1° |
| N29 | C09 | C10 | C11 | 64.3° | 52.4° |
| N29 | C09 | C10 | H101 | 61.0° | 67.6° |
| N29 | C09 | C10 | H102 | 170.4° | 172.4° |
| N29 | C09 | C17 | O18 | 178.7° | 180.0° |
| N29 | C09 | C17 | C35 | 5.3° | 0.1° |
| C09 | N29 | C30 | H29 | 125.3° | 180.0° |
| C09 | N29 | C30 | C35 | 6.2° | 0.0° |
| C09 | N29 | C30 | H30 | 173.8° | 180.0° |
| C11 | C10 | H101 | H102 | 116.0° | 120.1° |
| C10 | C11 | C12 | C16 | 178.2° | 179.7° |
| C10 | C11 | C12 | C13 | 175.6° | 180.0° |
| C10 | C11 | C12 | H12 | 4.4° | 0.0° |
| C10 | C11 | C16 | C15 | 174.9° | 179.8° |
| C10 | C11 | C16 | H16 | 5.2° | 0.3° |
| H101 | C10 | C11 | C12 | 37.6° | 30.0° |
| H101 | C10 | C11 | C16 | 144.2° | 149.7° |
| H102 | C10 | C11 | C12 | 147.1° | 150.0° |
| H102 | C10 | C11 | C16 | 34.7° | 29.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C12 | C11 | C16 | C15 | 3.3° | 0.5° |
| C12 | C11 | C16 | H16 | 176.7° | 180.0° |
| C16 | C11 | C12 | C13 | 2.6° | 0.3° |
| C16 | C11 | C12 | H12 | 177.4° | 179.7° |
| C11 | C16 | C15 | C14 | 1.5° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.5° |
| C11 | C16 | C15 | H15 | 178.5° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.7° | 0.1° |
| C12 | C13 | C14 | H14 | 178.3° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.0° | 0.2° |
| C13 | C14 | C15 | H15 | 179.0° | 180.0° |
| H13 | C13 | C14 | C15 | 178.3° | 180.0° |
| H13 | C13 | C14 | H14 | 1.7° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 178.5° | 180.0° |
| H14 | C14 | C15 | C16 | 179.1° | 179.8° |
| H14 | C14 | C15 | H15 | 0.9° | 0.0° |
| H15 | C15 | C16 | H16 | 1.5° | 0.2° |
| O18 | C17 | C35 | C19 | 8.4° | 0.1° |
| O18 | C17 | C35 | C30 | 175.3° | 180.0° |
| C17 | C35 | C19 | C20 | 107.4° | 59.0° |
| C17 | C35 | C19 | C28 | 136.4° | 57.4° |
| C17 | C35 | C19 | C30 | 175.4° | 179.9° |
| C17 | C35 | C19 | H19 | 15.8° | 179.3° |
| C17 | C35 | C30 | N29 | 9.2° | 0.1° |
| C17 | C35 | C30 | H30 | 170.8° | 179.9° |
| C20 | C19 | C28 | C35 | 120.0° | 119.1° |
| C20 | C19 | C28 | H19 | 123.1° | 119.1° |
| C20 | C19 | C35 | H19 | 123.1° | 121.8° |
| C19 | C20 | C22 | O49 | 116.9° | 114.4° |
| C19 | C20 | C22 | H20 | 120.4° | 122.6° |
| C19 | C20 | O49 | H20 | 122.7° | 127.8° |
| C19 | C20 | C22 | C23 | 21.4° | 23.5° |
| C19 | C20 | C22 | N50 | 152.6° | 136.4° |
| C19 | C20 | C22 | H22 | 93.0° | 101.4° |
| C20 | C19 | C28 | C23 | 25.1° | 16.5° |
| C20 | C19 | C28 | C27 | 163.1° | 166.4° |
| C20 | C19 | C35 | C30 | 68.1° | 121.1° |
| C19 | C20 | O49 | C51 | 132.7° | 128.3° |
| C28 | C19 | C35 | H19 | 120.6° | 121.9° |
| C28 | C19 | C20 | C22 | 28.0° | 24.2° |
| C28 | C19 | C20 | O49 | 74.0° | 85.2° |
| C28 | C19 | C20 | H20 | 159.4° | 147.0° |
| C19 | C28 | C23 | C22 | 11.9° | 1.0° |
| C19 | C28 | C23 | C24 | 175.0° | 179.7° |
| C19 | C28 | C23 | C27 | 172.3° | 177.5° |
| C19 | C28 | C27 | C26 | 173.1° | 179.7° |
| C19 | C28 | C27 | H27 | 6.9° | 1.8° |
| C28 | C19 | C35 | C30 | 48.1° | 122.5° |
| C35 | C19 | C20 | C22 | 150.6° | 143.3° |
| C35 | C19 | C20 | O49 | 48.6° | 33.9° |
| C35 | C19 | C20 | H20 | 77.9° | 93.9° |
| C35 | C19 | C28 | C23 | 145.1° | 135.6° |
| C35 | C19 | C28 | C27 | 43.1° | 47.3° |
| C19 | C35 | C30 | N29 | 167.1° | 180.0° |
| C19 | C35 | C30 | H30 | 13.0° | 0.0° |
| H19 | C19 | C20 | C22 | 92.5° | 94.9° |
| H19 | C19 | C20 | O49 | 165.4° | 155.7° |
| H19 | C19 | C20 | H20 | 38.9° | 27.9° |
| H19 | C19 | C28 | C23 | 98.0° | 102.5° |
| H19 | C19 | C28 | C27 | 73.7° | 74.6° |
| H19 | C19 | C35 | C30 | 168.8° | 0.6° |
| C22 | C20 | O49 | H20 | 130.0° | 123.2° |
| C20 | C22 | C23 | N50 | 119.5° | 107.5° |
| C20 | C22 | C23 | H22 | 127.3° | 125.8° |
| C20 | C22 | N50 | H22 | 127.3° | 123.1° |
| C20 | C22 | C23 | C24 | 165.9° | 163.9° |
| C20 | C22 | C23 | C28 | 6.8° | 14.6° |
| C22 | C20 | O49 | C51 | 25.4° | 19.3° |
| C20 | C22 | N50 | C51 | 34.1° | 18.3° |
| C20 | C22 | N50 | H50 | 145.9° | 161.1° |
| O49 | C20 | C22 | C23 | 95.5° | 90.9° |
| O49 | C20 | C22 | N50 | 35.7° | 22.0° |
| O49 | C20 | C22 | H22 | 150.1° | 144.2° |
| C20 | O49 | C51 | N50 | 7.0° | 8.2° |
| C20 | O49 | C51 | O52 | 176.0° | 171.8° |
| H20 | C20 | C22 | C23 | 141.8° | 146.1° |
| H20 | C20 | C22 | N50 | 87.0° | 101.1° |
| H20 | C20 | C22 | H22 | 27.4° | 21.1° |
| H20 | C20 | O49 | C51 | 104.6° | 103.9° |
| C23 | C22 | N50 | H22 | 113.1° | 126.6° |
| C22 | C23 | C24 | C28 | 171.9° | 178.4° |
| C22 | C23 | C24 | C25 | 172.4° | 179.8° |
| C22 | C23 | C24 | H24 | 7.6° | 0.2° |
| C22 | C23 | C28 | C27 | 175.8° | 178.5° |
| C23 | C22 | N50 | C51 | 85.4° | 92.0° |
| C23 | C22 | N50 | H50 | 94.5° | 88.6° |
| N50 | C22 | C23 | C24 | 46.4° | 56.4° |
| N50 | C22 | C23 | C28 | 126.3° | 122.2° |
| C22 | N50 | C51 | O49 | 18.2° | 7.4° |
| C22 | N50 | C51 | H50 | 180.0° | 179.4° |
| C22 | N50 | C51 | O52 | 158.6° | 172.6° |
| H22 | C22 | C23 | C24 | 66.7° | 70.3° |
| H22 | C22 | C23 | C28 | 120.5° | 111.2° |
| H22 | C22 | N50 | C51 | 161.4° | 141.4° |
| H22 | C22 | N50 | H50 | 18.6° | 38.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.0° | 0.0° |
| C23 | C24 | C25 | H25 | 178.0° | 180.0° |
| C24 | C23 | C28 | C27 | 2.7° | 2.8° |
| C28 | C23 | C24 | C25 | 0.5° | 1.4° |
| C28 | C23 | C24 | H24 | 179.5° | 178.6° |
| C23 | C28 | C27 | C26 | 2.3° | 2.9° |
| C23 | C28 | C27 | H27 | 177.7° | 178.6° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 2.3° | 0.1° |
| C24 | C25 | C26 | H26 | 177.7° | 179.9° |
| H24 | C24 | C25 | C26 | 178.1° | 180.0° |
| H24 | C24 | C25 | H25 | 2.0° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 1.5° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 177.7° | 179.9° |
| H25 | C25 | C26 | H26 | 2.3° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 178.5° |
| H26 | C26 | C27 | C28 | 179.9° | 178.4° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| N29 | C30 | C35 | H30 | 180.0° | 180.0° |
| H29 | N29 | C30 | C35 | 119.1° | 180.0° |
| H29 | N29 | C30 | H30 | 61.0° | 0.0° |
| C37 | C36 | H361 | H362 | 117.4° | 120.0° |
| C36 | C37 | C38 | C42 | 177.0° | 179.8° |
| C36 | C37 | C38 | C39 | 173.1° | 179.8° |
| C36 | C37 | C38 | H38 | 6.9° | 0.2° |
| C36 | C37 | C42 | C41 | 173.6° | 180.0° |
| C36 | C37 | C42 | H42 | 6.4° | 0.0° |
| H361 | C36 | C37 | C38 | 167.4° | 149.8° |
| H361 | C36 | C37 | C42 | 15.5° | 30.0° |
| H362 | C36 | C37 | C38 | 58.0° | 29.7° |
| H362 | C36 | C37 | C42 | 124.9° | 150.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.5° |
| C37 | C38 | C39 | C40 | 1.2° | 0.5° |
| C37 | C38 | C39 | H39 | 178.8° | 179.7° |
| C38 | C37 | C42 | C41 | 3.4° | 0.2° |
| C38 | C37 | C42 | H42 | 176.6° | 179.7° |
| C42 | C37 | C38 | C39 | 3.8° | 0.5° |
| C42 | C37 | C38 | H38 | 176.1° | 180.0° |
| C37 | C42 | C41 | C40 | 0.4° | 0.0° |
| C37 | C42 | C41 | H42 | 180.0° | 180.0° |
| C37 | C42 | C41 | H41 | 179.6° | 179.9° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C38 | C39 | C40 | C41 | 1.8° | 0.2° |
| C38 | C39 | C40 | H40 | 178.2° | 179.8° |
| H38 | C38 | C39 | C40 | 178.8° | 180.0° |
| H38 | C38 | C39 | H39 | 1.2° | 0.2° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 2.2° | 0.0° |
| C39 | C40 | C41 | H41 | 177.8° | 179.9° |
| H39 | C39 | C40 | C41 | 178.2° | 180.0° |
| H39 | C39 | C40 | H40 | 1.8° | 0.1° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | H42 | 179.6° | 180.0° |
| H40 | C40 | C41 | C42 | 177.8° | 179.9° |
| H40 | C40 | C41 | H41 | 2.2° | 0.0° |
| H41 | C41 | C42 | H42 | 0.4° | 0.1° |
| C45 | C44 | H441 | H442 | 117.6° | 120.0° |
| C44 | C45 | O46 | H451 | 125.2° | 119.9° |
| C44 | C45 | O46 | H452 | 125.3° | 120.1° |
| C44 | C45 | H451 | H452 | 120.2° | 120.0° |
| C44 | C45 | O46 | C47 | 38.4° | 180.0° |
| H441 | C44 | C45 | O46 | 152.9° | 175.0° |
| H441 | C44 | C45 | H451 | 81.9° | 65.0° |
| H441 | C44 | C45 | H452 | 27.7° | 55.0° |
| H442 | C44 | C45 | O46 | 43.4° | 55.0° |
| H442 | C44 | C45 | H451 | 168.6° | 175.0° |
| H442 | C44 | C45 | H452 | 81.8° | 65.0° |
| O46 | C45 | H451 | H452 | 120.1° | 120.0° |
| C45 | O46 | C47 | C48 | 56.6° | 180.0° |
| C45 | O46 | C47 | H471 | 178.1° | 60.1° |
| C45 | O46 | C47 | H472 | 68.6° | 59.9° |
| H451 | C45 | O46 | C47 | 163.7° | 60.1° |
| H452 | C45 | O46 | C47 | 86.8° | 59.9° |
| O46 | C47 | C48 | H471 | 125.2° | 119.9° |
| O46 | C47 | C48 | H472 | 125.3° | 120.0° |
| O46 | C47 | H471 | H472 | 119.1° | 120.0° |
| O46 | C47 | C48 | H481 | 180.0° | 60.0° |
| O46 | C47 | C48 | H482 | 54.7° | 60.1° |
| O46 | C47 | C48 | H483 | 54.7° | 180.0° |
| C48 | C47 | H471 | H472 | 119.2° | 120.1° |
| C47 | C48 | H481 | H482 | 125.3° | 120.0° |
| C47 | C48 | H481 | H483 | 125.2° | 120.0° |
| C47 | C48 | H482 | H483 | 119.1° | 119.9° |
| H471 | C47 | C48 | H481 | 54.8° | 60.0° |
| H471 | C47 | C48 | H482 | 179.9° | 180.0° |
| H471 | C47 | C48 | H483 | 70.5° | 60.1° |
| H472 | C47 | C48 | H481 | 54.8° | 180.0° |
| H472 | C47 | C48 | H482 | 70.5° | 59.9° |
| H472 | C47 | C48 | H483 | 180.0° | 60.0° |
| H481 | C48 | H482 | H483 | 119.2° | 120.0° |
| O49 | C51 | N50 | O52 | 176.9° | 180.0° |
| O49 | C51 | N50 | H50 | 161.8° | 172.0° |
| H50 | N50 | C51 | O52 | 21.3° | 8.0° |
