HH1
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 | 1.45Å | |
| C02 | O03 | doub | 1.21Å | 1.20Å | |
| C02 | NP4 | sing | 1.35Å | 1.34Å | |
| NP4 | C05 | sing | 1.47Å | 1.47Å | |
| NP4 | HP4 | sing | 0.97Å | 1.02Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C36 | sing | 1.53Å | 1.54Å | |
| 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 | 1.55Å | |
| 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 | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.38Å | 1.46Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.47Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.46Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | O18 | doub | 1.21Å | 1.20Å | |
| C17 | C35 | sing | 1.40Å | 1.47Å | |
| C19 | C20 | sing | 1.54Å | 1.57Å | |
| C19 | C28 | sing | 1.51Å | 1.48Å | |
| C19 | C35 | sing | 1.51Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | C22 | sing | 1.54Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C49 | C22 | sing | 1.53Å | 1.55Å | |
| C49 | C1 | sing | 1.51Å | 1.53Å | |
| C49 | H491 | sing | 1.09Å | 1.12Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.51Å | 1.47Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.45Å | 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 | 1.37Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C35 | doub | 1.35Å | 1.47Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.38Å | 1.47Å | Aromatic |
| C37 | C42 | doub | 1.38Å | 1.46Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.45Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.38Å | 1.46Å | 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 | 1.45Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.55Å | 1.54Å | |
| C44 | C48 | sing | 1.54Å | 1.51Å | |
| C44 | H44 | sing | 1.09Å | 1.11Å | |
| C45 | O46 | sing | 1.45Å | 1.45Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| O46 | C47 | sing | 1.44Å | 1.44Å | |
| C47 | C48 | sing | 1.54Å | 1.51Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | C44 | 116.2° | 120.0° |
| O01 | C02 | O03 | 122.9° | 120.0° |
| O01 | C02 | NP4 | 113.2° | 120.0° |
| O01 | C44 | C45 | 111.2° | 110.5° |
| O01 | C44 | C48 | 110.6° | 110.5° |
| O01 | C44 | H44 | 103.6° | 110.5° |
| O03 | C02 | NP4 | 123.8° | 120.0° |
| C02 | NP4 | C05 | 121.7° | 120.0° |
| C02 | NP4 | HP4 | 114.4° | 120.0° |
| C05 | NP4 | HP4 | 123.9° | 120.0° |
| NP4 | C05 | C06 | 111.0° | 109.4° |
| NP4 | C05 | C36 | 108.9° | 109.4° |
| NP4 | C05 | H05 | 109.1° | 109.5° |
| C06 | C05 | C36 | 110.4° | 109.5° |
| C06 | C05 | H05 | 107.6° | 109.5° |
| C05 | C06 | O07 | 111.0° | 109.5° |
| C05 | C06 | C08 | 110.6° | 109.5° |
| C05 | C06 | H06 | 107.6° | 109.4° |
| C36 | C05 | H05 | 109.7° | 109.5° |
| C05 | C36 | C37 | 111.0° | 109.5° |
| C05 | C36 | H361 | 111.6° | 109.5° |
| C05 | C36 | H362 | 111.7° | 109.4° |
| O07 | C06 | C08 | 109.1° | 109.5° |
| O07 | C06 | H06 | 109.0° | 109.5° |
| C06 | O07 | H07 | 111.1° | 106.8° |
| C08 | C06 | H06 | 109.5° | 109.4° |
| C06 | C08 | C09 | 113.0° | 109.5° |
| C06 | C08 | H081 | 110.9° | 109.5° |
| C06 | C08 | H082 | 110.9° | 109.5° |
| C09 | C08 | H081 | 110.9° | 109.5° |
| C09 | C08 | H082 | 110.9° | 109.5° |
| C08 | C09 | C10 | 112.6° | 110.4° |
| C08 | C09 | C17 | 110.0° | 110.2° |
| C08 | C09 | N29 | 113.2° | 110.5° |
| H081 | C08 | H082 | 99.4° | 109.4° |
| C10 | C09 | C17 | 112.0° | 110.8° |
| C10 | C09 | N29 | 110.4° | 110.5° |
| C09 | C10 | C11 | 117.1° | 109.5° |
| C09 | C10 | H101 | 109.4° | 109.5° |
| C09 | C10 | H102 | 109.5° | 109.5° |
| C17 | C09 | N29 | 97.8° | 104.2° |
| C09 | C17 | O18 | 125.4° | 127.3° |
| C09 | C17 | C35 | 109.8° | 105.3° |
| C09 | N29 | C30 | 120.2° | 107.6° |
| C09 | N29 | H29 | 108.4° | 126.2° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.4° |
| C10 | C11 | C12 | 117.6° | 120.0° |
| C10 | C11 | C16 | 120.0° | 120.0° |
| H101 | C10 | H102 | 100.7° | 109.5° |
| C12 | C11 | C16 | 122.4° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | H12 | 120.5° | 120.0° |
| C11 | C16 | C15 | 117.8° | 120.0° |
| C11 | C16 | H16 | 121.6° | 120.0° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 118.0° | 120.0° |
| C12 | C13 | H13 | 120.7° | 120.0° |
| C14 | C13 | H13 | 121.3° | 120.0° |
| C13 | C14 | C15 | 122.8° | 120.0° |
| C13 | C14 | H14 | 118.3° | 120.0° |
| C15 | C14 | H14 | 119.0° | 120.0° |
| C14 | C15 | C16 | 119.3° | 120.0° |
| C14 | C15 | H15 | 120.7° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.7° | 120.0° |
| O18 | C17 | C35 | 124.7° | 127.3° |
| C17 | C35 | C19 | 123.1° | 124.8° |
| C17 | C35 | C30 | 107.7° | 110.5° |
| C20 | C19 | C28 | 97.1° | 105.2° |
| C20 | C19 | C35 | 115.7° | 110.3° |
| C20 | C19 | H19 | 114.9° | 110.3° |
| C19 | C20 | C22 | 108.8° | 102.4° |
| C19 | C20 | H201 | 112.4° | 110.8° |
| C19 | C20 | H202 | 112.5° | 110.8° |
| C28 | C19 | C35 | 112.9° | 110.4° |
| C28 | C19 | H19 | 117.6° | 110.3° |
| C19 | C28 | C23 | 111.4° | 109.8° |
| C19 | C28 | C27 | 126.4° | 130.4° |
| C35 | C19 | H19 | 99.7° | 110.3° |
| C19 | C35 | C30 | 129.1° | 124.7° |
| C22 | C20 | H201 | 112.5° | 110.8° |
| C22 | C20 | H202 | 112.5° | 110.8° |
| C20 | C22 | C49 | 113.6° | 110.3° |
| C20 | C22 | C23 | 97.0° | 105.3° |
| C20 | C22 | H22 | 115.3° | 110.3° |
| H201 | C20 | H202 | 98.0° | 110.9° |
| C22 | C49 | C1 | 112.8° | 109.5° |
| C22 | C49 | H491 | 111.0° | 109.5° |
| C22 | C49 | H492 | 111.0° | 109.4° |
| C49 | C22 | C23 | 110.7° | 110.3° |
| C49 | C22 | H22 | 102.7° | 110.3° |
| C1 | C49 | H491 | 111.0° | 109.5° |
| C1 | C49 | H492 | 111.0° | 109.5° |
| C49 | C1 | N1 | 116.8° | 120.0° |
| C49 | C1 | O2 | 120.2° | 120.0° |
| H491 | C49 | H492 | 99.3° | 109.5° |
| C23 | C22 | H22 | 118.0° | 110.3° |
| C22 | C23 | C24 | 125.8° | 130.5° |
| C22 | C23 | C28 | 112.2° | 109.6° |
| C24 | C23 | C28 | 122.1° | 119.9° |
| C23 | C24 | C25 | 116.0° | 120.2° |
| C23 | C24 | H24 | 122.3° | 119.8° |
| C23 | C28 | C27 | 122.1° | 119.8° |
| C25 | C24 | H24 | 121.8° | 119.9° |
| C24 | C25 | C26 | 121.8° | 119.9° |
| C24 | C25 | H25 | 119.2° | 120.0° |
| C26 | C25 | H25 | 119.0° | 120.1° |
| C25 | C26 | C27 | 122.5° | 120.0° |
| C25 | C26 | H26 | 118.6° | 120.0° |
| C27 | C26 | H26 | 119.0° | 120.0° |
| C26 | C27 | C28 | 115.6° | 120.2° |
| C26 | C27 | H27 | 122.1° | 119.9° |
| C28 | C27 | H27 | 122.3° | 119.9° |
| C30 | N29 | H29 | 108.4° | 126.2° |
| N29 | C30 | C35 | 104.3° | 112.4° |
| N29 | C30 | H30 | 125.0° | 123.8° |
| C35 | C30 | H30 | 130.6° | 123.8° |
| C37 | C36 | H361 | 111.7° | 109.5° |
| C37 | C36 | H362 | 111.6° | 109.5° |
| C36 | C37 | C38 | 117.3° | 120.0° |
| C36 | C37 | C42 | 119.8° | 120.0° |
| H361 | C36 | H362 | 98.7° | 109.4° |
| C38 | C37 | C42 | 123.0° | 120.0° |
| C37 | C38 | C39 | 118.6° | 120.0° |
| C37 | C38 | H38 | 121.2° | 120.0° |
| C37 | C42 | C41 | 118.4° | 120.0° |
| C37 | C42 | H42 | 121.0° | 120.0° |
| C39 | C38 | H38 | 120.2° | 120.0° |
| C38 | C39 | C40 | 118.0° | 120.0° |
| C38 | C39 | H39 | 120.7° | 120.0° |
| C40 | C39 | H39 | 121.2° | 120.0° |
| C39 | C40 | C41 | 123.6° | 120.0° |
| C39 | C40 | H40 | 118.3° | 120.0° |
| C41 | C40 | H40 | 118.1° | 120.0° |
| C40 | C41 | C42 | 118.3° | 120.0° |
| C40 | C41 | H41 | 121.0° | 120.0° |
| C42 | C41 | H41 | 120.7° | 120.0° |
| C41 | C42 | H42 | 120.6° | 120.0° |
| C45 | C44 | C48 | 92.5° | 104.1° |
| C45 | C44 | H44 | 119.2° | 110.5° |
| C44 | C45 | O46 | 106.3° | 104.7° |
| C44 | C45 | H451 | 113.4° | 110.3° |
| C44 | C45 | H452 | 113.5° | 110.5° |
| C48 | C44 | H44 | 119.7° | 110.5° |
| C44 | C48 | C47 | 111.8° | 104.1° |
| C44 | C48 | H481 | 111.4° | 110.5° |
| C44 | C48 | H482 | 111.4° | 110.5° |
| O46 | C45 | H451 | 113.4° | 110.4° |
| O46 | C45 | H452 | 113.4° | 110.4° |
| C45 | O46 | C47 | 108.3° | 105.3° |
| H451 | C45 | H452 | 97.1° | 110.4° |
| O46 | C47 | C48 | 101.0° | 104.8° |
| O46 | C47 | H471 | 115.5° | 110.4° |
| O46 | C47 | H472 | 115.4° | 110.4° |
| C48 | C47 | H471 | 115.5° | 110.4° |
| C48 | C47 | H472 | 115.5° | 110.4° |
| C47 | C48 | H481 | 111.4° | 110.5° |
| C47 | C48 | H482 | 111.3° | 110.5° |
| H471 | C47 | H472 | 94.9° | 110.4° |
| H481 | C48 | H482 | 99.0° | 110.5° |
| N1 | C1 | O2 | 123.0° | 120.0° |
| C1 | N1 | HN11 | 123.0° | 120.0° |
| C1 | N1 | HN12 | 116.7° | 120.0° |
| HN11 | N1 | HN12 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | NP4 | 178.9° | 179.9° |
| O01 | C02 | NP4 | C05 | 172.4° | 180.0° |
| O01 | C02 | NP4 | HP4 | 7.6° | 0.1° |
| C02 | O01 | C44 | C45 | 170.5° | 93.3° |
| C02 | O01 | C44 | C48 | 88.1° | 151.9° |
| C02 | O01 | C44 | H44 | 41.3° | 29.3° |
| C44 | O01 | C02 | O03 | 3.8° | 0.0° |
| C44 | O01 | C02 | NP4 | 175.3° | 179.9° |
| O01 | C44 | C45 | C48 | 113.3° | 118.7° |
| O01 | C44 | C45 | H44 | 120.3° | 122.6° |
| O01 | C44 | C48 | H44 | 120.2° | 122.7° |
| O01 | C44 | C45 | O46 | 70.3° | 142.5° |
| O01 | C44 | C45 | H451 | 54.9° | 23.8° |
| O01 | C44 | C45 | H452 | 164.4° | 98.6° |
| O01 | C44 | C48 | C47 | 75.8° | 118.6° |
| O01 | C44 | C48 | H481 | 158.9° | 122.7° |
| O01 | C44 | C48 | H482 | 49.4° | 0.0° |
| O03 | C02 | NP4 | C05 | 6.6° | 0.1° |
| O03 | C02 | NP4 | HP4 | 173.3° | 180.0° |
| C02 | NP4 | C05 | HP4 | 180.0° | 179.9° |
| C02 | NP4 | C05 | C06 | 110.0° | 155.1° |
| C02 | NP4 | C05 | C36 | 128.2° | 85.0° |
| C02 | NP4 | C05 | H05 | 8.5° | 35.0° |
| NP4 | C05 | C06 | C36 | 121.0° | 119.9° |
| NP4 | C05 | C06 | H05 | 119.3° | 120.0° |
| NP4 | C05 | C36 | H05 | 119.4° | 120.0° |
| NP4 | C05 | C06 | O07 | 56.0° | 60.0° |
| NP4 | C05 | C06 | C08 | 65.3° | 60.0° |
| NP4 | C05 | C06 | H06 | 175.2° | 180.0° |
| NP4 | C05 | C36 | C37 | 64.3° | 65.0° |
| NP4 | C05 | C36 | H361 | 61.0° | 55.0° |
| NP4 | C05 | C36 | H362 | 170.4° | 175.0° |
| HP4 | NP4 | C05 | C06 | 70.0° | 25.0° |
| HP4 | NP4 | C05 | C36 | 51.8° | 95.0° |
| HP4 | NP4 | C05 | H05 | 171.6° | 145.0° |
| C06 | C05 | C36 | H05 | 118.4° | 120.0° |
| C05 | C06 | O07 | C08 | 122.1° | 120.0° |
| C05 | C06 | O07 | H06 | 118.3° | 120.0° |
| C05 | C06 | C08 | H06 | 118.4° | 119.9° |
| C05 | C06 | O07 | H07 | 180.0° | 60.0° |
| C05 | C06 | C08 | C09 | 134.9° | 175.0° |
| C05 | C06 | C08 | H081 | 99.9° | 54.9° |
| C05 | C06 | C08 | H082 | 9.6° | 65.0° |
| C06 | C05 | C36 | C37 | 173.5° | 175.0° |
| C06 | C05 | C36 | H361 | 61.2° | 64.9° |
| C06 | C05 | C36 | H362 | 48.3° | 55.0° |
| C36 | C05 | C06 | O07 | 65.0° | 60.0° |
| C36 | C05 | C06 | C08 | 173.8° | 180.0° |
| C36 | C05 | C06 | H06 | 54.2° | 60.1° |
| C05 | C36 | C37 | H361 | 125.3° | 120.1° |
| C05 | C36 | C37 | H362 | 125.3° | 120.0° |
| C05 | C36 | H361 | H362 | 117.5° | 120.0° |
| C05 | C36 | C37 | C38 | 74.9° | 90.2° |
| C05 | C36 | C37 | C42 | 105.1° | 90.0° |
| H05 | C05 | C06 | O07 | 175.3° | 180.0° |
| H05 | C05 | C06 | C08 | 54.1° | 60.0° |
| H05 | C05 | C06 | H06 | 65.5° | 60.0° |
| H05 | C05 | C36 | C37 | 55.1° | 55.0° |
| H05 | C05 | C36 | H361 | 179.6° | 175.0° |
| H05 | C05 | C36 | H362 | 70.2° | 65.0° |
| O07 | C06 | C08 | H06 | 119.2° | 120.0° |
| O07 | C06 | C08 | C09 | 102.7° | 65.0° |
| O07 | C06 | C08 | H081 | 22.5° | 174.9° |
| O07 | C06 | C08 | H082 | 132.0° | 55.0° |
| C08 | C06 | O07 | H07 | 57.9° | 60.0° |
| C06 | C08 | C09 | H081 | 125.3° | 120.1° |
| C06 | C08 | C09 | H082 | 125.3° | 120.0° |
| C06 | C08 | H081 | H082 | 116.8° | 119.9° |
| C06 | C08 | C09 | C10 | 165.8° | 178.1° |
| C06 | C08 | C09 | C17 | 68.5° | 55.4° |
| C06 | C08 | C09 | N29 | 39.7° | 59.3° |
| H06 | C06 | O07 | H07 | 61.7° | 180.0° |
| H06 | C06 | C08 | C09 | 16.5° | 55.1° |
| H06 | C06 | C08 | H081 | 141.8° | 65.0° |
| H06 | C06 | C08 | H082 | 108.8° | 175.0° |
| C09 | C08 | H081 | H082 | 116.8° | 120.0° |
| C08 | C09 | C10 | C17 | 124.6° | 122.5° |
| C08 | C09 | C10 | N29 | 127.6° | 122.6° |
| C08 | C09 | C17 | N29 | 118.2° | 118.6° |
| C08 | C09 | C10 | C11 | 179.3° | 176.9° |
| C08 | C09 | C10 | H101 | 55.4° | 56.9° |
| C08 | C09 | C10 | H102 | 54.1° | 63.1° |
| C08 | C09 | C17 | O18 | 65.5° | 61.4° |
| C08 | C09 | C17 | C35 | 117.4° | 119.0° |
| C08 | C09 | N29 | C30 | 116.3° | 118.7° |
| C08 | C09 | N29 | H29 | 118.3° | 61.4° |
| H081 | C08 | C09 | C10 | 40.5° | 58.1° |
| H081 | C08 | C09 | C17 | 166.2° | 64.7° |
| H081 | C08 | C09 | N29 | 85.6° | 179.3° |
| H082 | C08 | C09 | C10 | 68.9° | 61.9° |
| H082 | C08 | C09 | C17 | 56.8° | 175.3° |
| H082 | C08 | C09 | N29 | 165.0° | 60.7° |
| C10 | C09 | C17 | N29 | 115.8° | 118.9° |
| C09 | C10 | C11 | H101 | 125.2° | 120.0° |
| C09 | C10 | C11 | H102 | 125.3° | 120.0° |
| C09 | C10 | H101 | H102 | 115.2° | 120.0° |
| C09 | C10 | C11 | C12 | 92.1° | 90.3° |
| C09 | C10 | C11 | C16 | 88.0° | 90.0° |
| C10 | C09 | C17 | O18 | 60.5° | 61.2° |
| C10 | C09 | C17 | C35 | 116.6° | 118.4° |
| C10 | C09 | N29 | C30 | 116.4° | 118.8° |
| C10 | C09 | N29 | H29 | 8.9° | 61.2° |
| C17 | C09 | C10 | C11 | 54.8° | 60.6° |
| C17 | C09 | C10 | H101 | 180.0° | 179.4° |
| C17 | C09 | C10 | H102 | 70.5° | 59.3° |
| C09 | C17 | O18 | C35 | 176.6° | 179.5° |
| C09 | C17 | C35 | C19 | 176.3° | 179.9° |
| C17 | C09 | N29 | C30 | 0.6° | 0.3° |
| C17 | C09 | N29 | H29 | 125.9° | 179.8° |
| C09 | C17 | C35 | C30 | 1.8° | 0.4° |
| N29 | C09 | C10 | C11 | 53.1° | 54.3° |
| N29 | C09 | C10 | H101 | 72.2° | 65.7° |
| N29 | C09 | C10 | H102 | 178.4° | 174.3° |
| N29 | C09 | C17 | O18 | 176.3° | 180.0° |
| N29 | C09 | C17 | C35 | 0.8° | 0.4° |
| C09 | N29 | C30 | H29 | 125.3° | 180.0° |
| C09 | N29 | C30 | C35 | 1.7° | 0.0° |
| C09 | N29 | C30 | H30 | 178.3° | 180.0° |
| C11 | C10 | H101 | H102 | 115.2° | 119.9° |
| C10 | C11 | C12 | C16 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 179.2° | 179.8° |
| C10 | C11 | C12 | H12 | 0.8° | 0.3° |
| C10 | C11 | C16 | C15 | 178.4° | 180.0° |
| C10 | C11 | C16 | H16 | 1.6° | 0.0° |
| H101 | C10 | C11 | C12 | 33.1° | 149.7° |
| H101 | C10 | C11 | C16 | 146.7° | 30.0° |
| H102 | C10 | C11 | C12 | 142.6° | 29.7° |
| H102 | C10 | C11 | C16 | 37.3° | 150.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.1° | 0.5° |
| C11 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C11 | C16 | C15 | 1.8° | 0.3° |
| C12 | C11 | C16 | H16 | 178.2° | 179.7° |
| C16 | C11 | C12 | C13 | 1.0° | 0.5° |
| C16 | C11 | C12 | H12 | 179.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.5° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C11 | C16 | C15 | H15 | 178.5° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C12 | C13 | C14 | H14 | 179.7° | 179.8° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 178.5° | 180.0° |
| H14 | C14 | C15 | C16 | 179.4° | 180.0° |
| H14 | C14 | C15 | H15 | 0.5° | 0.0° |
| H15 | C15 | C16 | H16 | 1.5° | 0.0° |
| O18 | C17 | C35 | C19 | 6.6° | 0.3° |
| O18 | C17 | C35 | C30 | 175.3° | 180.0° |
| C17 | C35 | C19 | C20 | 79.5° | 59.7° |
| C17 | C35 | C19 | C28 | 169.9° | 56.1° |
| C17 | C35 | C19 | C30 | 177.7° | 179.6° |
| C17 | C35 | C19 | H19 | 44.3° | 178.2° |
| C17 | C35 | C30 | N29 | 2.0° | 0.3° |
| C17 | C35 | C30 | H30 | 177.9° | 179.7° |
| C20 | C19 | C28 | C35 | 121.8° | 118.9° |
| C20 | C19 | C28 | H19 | 122.9° | 118.9° |
| C20 | C19 | C35 | H19 | 123.8° | 122.1° |
| C19 | C20 | C22 | H201 | 125.2° | 118.3° |
| C19 | C20 | C22 | H202 | 125.3° | 118.2° |
| C19 | C20 | H201 | H202 | 118.4° | 123.6° |
| C19 | C20 | C22 | C49 | 80.3° | 145.3° |
| C19 | C20 | C22 | C23 | 36.0° | 26.3° |
| C19 | C20 | C22 | H22 | 161.5° | 92.6° |
| C20 | C19 | C28 | C23 | 19.0° | 17.3° |
| C20 | C19 | C28 | C27 | 158.2° | 162.8° |
| C20 | C19 | C35 | C30 | 102.8° | 120.0° |
| C28 | C19 | C35 | H19 | 125.6° | 122.1° |
| C28 | C19 | C20 | C22 | 34.5° | 26.4° |
| C28 | C19 | C20 | H201 | 159.7° | 144.6° |
| C28 | C19 | C20 | H202 | 90.8° | 91.8° |
| C19 | C28 | C23 | C22 | 2.9° | 0.1° |
| C19 | C28 | C23 | C24 | 175.5° | 179.9° |
| C19 | C28 | C23 | C27 | 177.3° | 179.9° |
| C19 | C28 | C27 | C26 | 175.1° | 180.0° |
| C19 | C28 | C27 | H27 | 5.0° | 0.1° |
| C28 | C19 | C35 | C30 | 7.9° | 124.3° |
| C35 | C19 | C20 | C22 | 85.2° | 145.3° |
| C35 | C19 | C20 | H201 | 40.1° | 96.4° |
| C35 | C19 | C20 | H202 | 149.6° | 27.1° |
| C35 | C19 | C28 | C23 | 102.8° | 136.2° |
| C35 | C19 | C28 | C27 | 80.0° | 43.8° |
| C19 | C35 | C30 | N29 | 176.0° | 180.0° |
| C19 | C35 | C30 | H30 | 4.1° | 0.0° |
| H19 | C19 | C20 | C22 | 159.4° | 92.6° |
| H19 | C19 | C20 | H201 | 75.4° | 25.7° |
| H19 | C19 | C20 | H202 | 34.1° | 149.2° |
| H19 | C19 | C28 | C23 | 142.0° | 101.7° |
| H19 | C19 | C28 | C27 | 35.2° | 78.3° |
| H19 | C19 | C35 | C30 | 133.4° | 2.1° |
| C22 | C20 | H201 | H202 | 118.4° | 123.5° |
| C20 | C22 | C49 | C23 | 107.9° | 115.8° |
| C20 | C22 | C49 | H22 | 125.2° | 122.1° |
| C20 | C22 | C49 | C1 | 168.1° | 65.9° |
| C20 | C22 | C49 | H491 | 42.8° | 54.1° |
| C20 | C22 | C49 | H492 | 66.6° | 174.1° |
| C20 | C22 | C23 | H22 | 123.6° | 119.0° |
| C20 | C22 | C23 | C24 | 154.9° | 162.6° |
| C20 | C22 | C23 | C28 | 23.5° | 17.1° |
| H201 | C20 | C22 | C49 | 44.9° | 96.5° |
| H201 | C20 | C22 | C23 | 161.2° | 144.6° |
| H201 | C20 | C22 | H22 | 73.3° | 25.6° |
| H202 | C20 | C22 | C49 | 154.5° | 27.0° |
| H202 | C20 | C22 | C23 | 89.3° | 91.9° |
| H202 | C20 | C22 | H22 | 36.3° | 149.1° |
| C22 | C49 | C1 | H491 | 125.3° | 120.0° |
| C22 | C49 | C1 | H492 | 125.3° | 120.0° |
| C22 | C49 | H491 | H492 | 116.9° | 120.0° |
| C49 | C22 | C23 | H22 | 117.8° | 122.0° |
| C49 | C22 | C23 | C24 | 86.5° | 43.7° |
| C49 | C22 | C23 | C28 | 95.1° | 136.0° |
| C22 | C49 | C1 | N1 | 63.7° | 174.2° |
| C22 | C49 | C1 | O2 | 116.0° | 5.8° |
| C1 | C49 | H491 | H492 | 116.8° | 120.0° |
| C1 | C49 | C22 | C23 | 60.1° | 178.3° |
| C1 | C49 | C22 | H22 | 66.7° | 56.2° |
| C49 | C1 | N1 | O2 | 179.7° | 180.0° |
| C49 | C1 | N1 | HN11 | 0.3° | 180.0° |
| C49 | C1 | N1 | HN12 | 180.0° | 0.3° |
| H491 | C49 | C22 | C23 | 65.1° | 61.7° |
| H491 | C49 | C22 | H22 | 168.1° | 176.2° |
| H491 | C49 | C1 | N1 | 171.0° | 54.2° |
| H491 | C49 | C1 | O2 | 9.3° | 125.8° |
| H492 | C49 | C22 | C23 | 174.6° | 58.3° |
| H492 | C49 | C22 | H22 | 58.6° | 63.8° |
| H492 | C49 | C1 | N1 | 61.6° | 65.8° |
| H492 | C49 | C1 | O2 | 118.7° | 114.2° |
| C22 | C23 | C24 | C28 | 178.3° | 179.7° |
| C22 | C23 | C24 | C25 | 179.1° | 179.9° |
| C22 | C23 | C24 | H24 | 0.9° | 0.3° |
| C22 | C23 | C28 | C27 | 179.7° | 179.9° |
| H22 | C22 | C23 | C24 | 31.3° | 78.4° |
| H22 | C22 | C23 | C28 | 147.1° | 101.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| C24 | C23 | C28 | C27 | 1.8° | 0.2° |
| C28 | C23 | C24 | C25 | 0.9° | 0.2° |
| C28 | C23 | C24 | H24 | 179.2° | 179.9° |
| C23 | C28 | C27 | C26 | 1.8° | 0.1° |
| C23 | C28 | C27 | H27 | 178.1° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 179.9° | 179.9° |
| C25 | C26 | C27 | C28 | 1.1° | 0.0° |
| C25 | C26 | C27 | H27 | 178.9° | 179.9° |
| H25 | C25 | C26 | C27 | 179.7° | 180.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | H27 | 179.9° | 179.9° |
| H26 | C26 | C27 | C28 | 179.0° | 179.9° |
| H26 | C26 | C27 | H27 | 1.1° | 0.0° |
| N29 | C30 | C35 | H30 | 180.0° | 179.9° |
| H29 | N29 | C30 | C35 | 127.0° | 180.0° |
| H29 | N29 | C30 | H30 | 53.0° | 0.1° |
| C37 | C36 | H361 | H362 | 117.5° | 120.0° |
| C36 | C37 | C38 | C42 | 179.9° | 179.8° |
| C36 | C37 | C38 | C39 | 177.6° | 179.8° |
| C36 | C37 | C38 | H38 | 2.4° | 0.2° |
| C36 | C37 | C42 | C41 | 177.0° | 179.9° |
| C36 | C37 | C42 | H42 | 3.0° | 0.0° |
| H361 | C36 | C37 | C38 | 159.8° | 149.7° |
| H361 | C36 | C37 | C42 | 20.1° | 30.1° |
| H362 | C36 | C37 | C38 | 50.4° | 29.8° |
| H362 | C36 | C37 | C42 | 129.6° | 150.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.6° |
| C37 | C38 | C39 | C40 | 0.8° | 0.4° |
| C37 | C38 | C39 | H39 | 179.2° | 179.7° |
| C38 | C37 | C42 | C41 | 3.0° | 0.3° |
| C38 | C37 | C42 | H42 | 177.0° | 179.8° |
| C42 | C37 | C38 | C39 | 2.5° | 0.4° |
| C42 | C37 | C38 | H38 | 177.5° | 179.9° |
| C37 | C42 | C41 | C40 | 0.3° | 0.1° |
| C37 | C42 | C41 | H42 | 180.0° | 179.9° |
| C37 | C42 | C41 | H41 | 179.7° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C38 | C39 | C40 | C41 | 3.6° | 0.2° |
| C38 | C39 | C40 | H40 | 176.4° | 179.8° |
| H38 | C38 | C39 | C40 | 179.2° | 180.0° |
| H38 | C38 | C39 | H39 | 0.8° | 0.1° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 3.0° | 0.0° |
| C39 | C40 | C41 | H41 | 177.0° | 179.9° |
| H39 | C39 | C40 | C41 | 176.4° | 180.0° |
| H39 | C39 | C40 | H40 | 3.6° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | H42 | 179.7° | 180.0° |
| H40 | C40 | C41 | C42 | 177.0° | 180.0° |
| H40 | C40 | C41 | H41 | 3.0° | 0.1° |
| H41 | C41 | C42 | H42 | 0.3° | 0.1° |
| C45 | C44 | C48 | H44 | 126.0° | 118.7° |
| C44 | C45 | O46 | H451 | 125.3° | 118.7° |
| C44 | C45 | O46 | H452 | 125.3° | 119.0° |
| C44 | C45 | H451 | H452 | 119.4° | 122.4° |
| C44 | C45 | O46 | C47 | 36.4° | 40.4° |
| C45 | C44 | C48 | C47 | 38.0° | 0.1° |
| C45 | C44 | C48 | H481 | 87.3° | 118.6° |
| C45 | C44 | C48 | H482 | 163.2° | 118.7° |
| C48 | C44 | C45 | O46 | 43.0° | 23.8° |
| C48 | C44 | C45 | H451 | 168.2° | 94.9° |
| C48 | C44 | C45 | H452 | 82.3° | 142.7° |
| C44 | C48 | C47 | O46 | 19.5° | 24.0° |
| C44 | C48 | C47 | H481 | 125.3° | 118.7° |
| C44 | C48 | C47 | H482 | 125.2° | 118.6° |
| C44 | C48 | C47 | H471 | 105.7° | 142.8° |
| C44 | C48 | C47 | H472 | 144.8° | 94.9° |
| C44 | C48 | H481 | H482 | 117.3° | 122.7° |
| H44 | C44 | C45 | O46 | 169.3° | 94.8° |
| H44 | C44 | C45 | H451 | 65.4° | 146.4° |
| H44 | C44 | C45 | H452 | 44.1° | 24.0° |
| H44 | C44 | C48 | C47 | 163.9° | 118.8° |
| H44 | C44 | C48 | H481 | 38.7° | 0.1° |
| H44 | C44 | C48 | H482 | 70.9° | 122.6° |
| O46 | C45 | H451 | H452 | 119.3° | 122.3° |
| C45 | O46 | C47 | C48 | 10.4° | 40.5° |
| C45 | O46 | C47 | H471 | 135.7° | 159.3° |
| C45 | O46 | C47 | H472 | 114.9° | 78.4° |
| H451 | C45 | O46 | C47 | 161.6° | 78.3° |
| H452 | C45 | O46 | C47 | 88.9° | 159.3° |
| O46 | C47 | C48 | H471 | 125.3° | 118.8° |
| O46 | C47 | C48 | H472 | 125.3° | 118.9° |
| O46 | C47 | H471 | H472 | 121.2° | 122.3° |
| O46 | C47 | C48 | H481 | 105.7° | 94.6° |
| O46 | C47 | C48 | H482 | 144.8° | 142.7° |
| C48 | C47 | H471 | H472 | 121.4° | 122.3° |
| C47 | C48 | H481 | H482 | 117.2° | 122.7° |
| H471 | C47 | C48 | H481 | 129.0° | 24.2° |
| H471 | C47 | C48 | H482 | 19.5° | 98.5° |
| H472 | C47 | C48 | H481 | 19.6° | 146.5° |
| H472 | C47 | C48 | H482 | 89.9° | 23.8° |
| C1 | N1 | HN11 | HN12 | 179.7° | 179.7° |
| O2 | C1 | N1 | HN11 | 180.0° | 0.0° |
| O2 | C1 | N1 | HN12 | 0.3° | 179.7° |
