3NH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | sing | 1.43Å | 1.20Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.33Å | |
| C1 | N1 | sing | 1.47Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| O1 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C22 | sing | 1.54Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C19 | sing | 1.52Å | 1.51Å | |
| C19 | C35 | sing | 1.53Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| C35 | C17 | sing | 1.52Å | 1.43Å | |
| C35 | C30 | sing | 1.55Å | 1.32Å | |
| C35 | H35 | sing | 1.09Å | 1.11Å | |
| C17 | O18 | doub | 1.21Å | 1.21Å | |
| C17 | C09 | sing | 1.52Å | 1.55Å | |
| C09 | N29 | sing | 1.48Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.56Å | |
| N29 | C30 | sing | 1.49Å | 1.46Å | |
| N29 | H29 | sing | 1.01Å | 1.02Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C08 | C06 | sing | 1.53Å | 1.59Å | |
| C08 | H081 | sing | 1.09Å | 1.12Å | |
| C08 | H082 | sing | 1.09Å | 1.11Å | |
| C06 | O07 | sing | 1.43Å | 1.44Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | H06 | sing | 1.09Å | 1.12Å | |
| O07 | H07 | sing | 0.97Å | 0.95Å | |
| C05 | NP4 | sing | 1.47Å | 1.49Å | |
| C05 | C36 | sing | 1.53Å | 1.53Å | |
| C05 | H05 | sing | 1.09Å | 1.12Å | |
| NP4 | C02 | sing | 1.35Å | 1.39Å | |
| NP4 | HP4 | sing | 0.97Å | 1.02Å | |
| C02 | O03 | doub | 1.22Å | 1.19Å | |
| C02 | O01 | sing | 1.35Å | 1.29Å | |
| O01 | C44 | sing | 1.45Å | 1.40Å | |
| C44 | C45 | sing | 1.54Å | 1.48Å | |
| C44 | C48 | sing | 1.54Å | 1.50Å | |
| C44 | H44 | sing | 1.09Å | 1.12Å | |
| C45 | O46 | sing | 1.45Å | 1.40Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| O46 | C47 | sing | 1.44Å | 1.45Å | |
| C47 | C48 | sing | 1.55Å | 1.55Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.12Å | |
| C48 | H482 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | HO2 | 120.5° | 106.8° |
| O2 | C1 | O1 | 120.4° | 109.5° |
| O2 | C1 | N1 | 122.8° | 109.5° |
| O2 | C1 | H1 | 69.8° | 109.5° |
| O1 | C1 | N1 | 116.3° | 109.4° |
| O1 | C1 | H1 | 111.5° | 109.5° |
| C1 | O1 | C20 | 125.9° | 106.8° |
| N1 | C1 | H1 | 96.7° | 109.5° |
| C1 | N1 | HN11 | 107.5° | 106.7° |
| C1 | N1 | HN12 | 122.8° | 106.7° |
| O1 | C20 | C22 | 106.1° | 110.8° |
| O1 | C20 | C19 | 105.4° | 110.8° |
| O1 | C20 | H20 | 113.3° | 110.7° |
| C22 | C20 | C19 | 106.8° | 102.6° |
| C22 | C20 | H20 | 112.0° | 110.8° |
| C20 | C22 | C23 | 97.7° | 105.1° |
| C20 | C22 | H221 | 116.8° | 110.3° |
| C20 | C22 | H222 | 116.8° | 110.3° |
| C19 | C20 | H20 | 112.7° | 110.8° |
| C20 | C19 | C28 | 97.9° | 104.9° |
| C20 | C19 | C35 | 114.6° | 110.5° |
| C20 | C19 | H19 | 117.3° | 110.4° |
| C23 | C22 | H221 | 116.7° | 110.3° |
| C23 | C22 | H222 | 116.8° | 110.3° |
| C22 | C23 | C24 | 126.5° | 130.4° |
| C22 | C23 | C28 | 112.0° | 109.8° |
| H221 | C22 | H222 | 93.7° | 110.4° |
| C24 | C23 | C28 | 121.5° | 119.9° |
| C23 | C24 | C25 | 118.2° | 120.2° |
| C23 | C24 | H24 | 121.3° | 119.9° |
| C23 | C28 | C27 | 120.3° | 119.8° |
| C23 | C28 | C19 | 110.3° | 109.8° |
| C25 | C24 | H24 | 120.5° | 119.9° |
| C24 | C25 | C26 | 120.8° | 119.9° |
| C24 | C25 | H25 | 118.8° | 120.0° |
| C26 | C25 | H25 | 120.4° | 120.1° |
| C25 | C26 | C27 | 120.8° | 119.9° |
| C25 | C26 | H26 | 119.8° | 120.1° |
| C27 | C26 | H26 | 119.4° | 120.0° |
| C26 | C27 | C28 | 118.5° | 120.2° |
| C26 | C27 | H27 | 121.2° | 119.9° |
| C28 | C27 | H27 | 120.3° | 119.8° |
| C27 | C28 | C19 | 129.4° | 130.4° |
| C28 | C19 | C35 | 118.1° | 110.3° |
| C28 | C19 | H19 | 113.7° | 110.3° |
| C35 | C19 | H19 | 96.6° | 110.3° |
| C19 | C35 | C17 | 122.4° | 110.7° |
| C19 | C35 | C30 | 130.4° | 110.7° |
| C19 | C35 | H35 | 25.3° | 110.6° |
| C17 | C35 | C30 | 107.2° | 103.3° |
| C17 | C35 | H35 | 145.8° | 110.7° |
| C35 | C17 | O18 | 126.8° | 127.2° |
| C35 | C17 | C09 | 109.4° | 105.7° |
| C30 | C35 | H35 | 106.3° | 110.6° |
| C35 | C30 | N29 | 114.5° | 102.8° |
| C35 | C30 | H301 | 110.4° | 110.7° |
| C35 | C30 | H302 | 110.4° | 110.7° |
| O18 | C17 | C09 | 123.6° | 127.1° |
| C17 | C09 | N29 | 102.0° | 107.4° |
| C17 | C09 | C10 | 108.7° | 110.1° |
| C17 | C09 | C08 | 107.7° | 109.7° |
| N29 | C09 | C10 | 115.9° | 109.9° |
| N29 | C09 | C08 | 109.9° | 109.9° |
| C09 | N29 | C30 | 106.5° | 105.4° |
| C09 | N29 | H29 | 113.3° | 106.7° |
| C10 | C09 | C08 | 111.9° | 109.9° |
| C09 | C10 | C11 | 110.7° | 109.5° |
| C09 | C10 | H101 | 111.7° | 109.5° |
| C09 | C10 | H102 | 111.7° | 109.5° |
| C09 | C08 | C06 | 111.1° | 109.5° |
| C09 | C08 | H081 | 111.6° | 109.4° |
| C09 | C08 | H082 | 111.6° | 109.5° |
| C30 | N29 | H29 | 113.3° | 106.7° |
| N29 | C30 | H301 | 110.4° | 110.7° |
| N29 | C30 | H302 | 110.4° | 110.8° |
| H301 | C30 | H302 | 99.9° | 110.8° |
| C11 | C10 | H101 | 111.8° | 109.4° |
| C11 | C10 | H102 | 111.8° | 109.5° |
| C10 | C11 | C12 | 117.9° | 120.0° |
| C10 | C11 | C16 | 122.1° | 120.0° |
| H101 | C10 | H102 | 98.7° | 109.4° |
| C12 | C11 | C16 | 120.0° | 120.0° |
| C11 | C12 | C13 | 121.6° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C11 | C16 | C15 | 117.8° | 120.0° |
| C11 | C16 | H16 | 121.4° | 120.0° |
| C13 | C12 | H12 | 118.1° | 120.0° |
| C12 | C13 | C14 | 119.0° | 120.0° |
| C12 | C13 | H13 | 120.6° | 119.9° |
| C14 | C13 | H13 | 120.4° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | H14 | 118.9° | 120.0° |
| C15 | C14 | H14 | 121.5° | 120.1° |
| C14 | C15 | C16 | 122.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 118.0° | 120.0° |
| C15 | C16 | H16 | 120.8° | 119.9° |
| C06 | C08 | H081 | 111.6° | 109.5° |
| C06 | C08 | H082 | 111.6° | 109.5° |
| C08 | C06 | O07 | 100.9° | 109.5° |
| C08 | C06 | C05 | 112.5° | 109.4° |
| C08 | C06 | H06 | 112.8° | 109.4° |
| H081 | C08 | H082 | 98.7° | 109.5° |
| O07 | C06 | C05 | 108.6° | 109.5° |
| O07 | C06 | H06 | 116.5° | 109.5° |
| C06 | O07 | H07 | 100.9° | 106.8° |
| C05 | C06 | H06 | 105.7° | 109.5° |
| C06 | C05 | NP4 | 114.4° | 109.5° |
| C06 | C05 | C36 | 115.1° | 109.4° |
| C06 | C05 | H05 | 101.0° | 109.5° |
| NP4 | C05 | C36 | 107.7° | 109.5° |
| NP4 | C05 | H05 | 109.5° | 109.5° |
| C05 | NP4 | C02 | 128.7° | 120.0° |
| C05 | NP4 | HP4 | 119.9° | 120.0° |
| C36 | C05 | H05 | 108.8° | 109.5° |
| C05 | C36 | C37 | 109.0° | 109.5° |
| C05 | C36 | H361 | 112.4° | 109.5° |
| C05 | C36 | H362 | 112.4° | 109.5° |
| C02 | NP4 | HP4 | 111.4° | 120.1° |
| NP4 | C02 | O03 | 127.4° | 120.1° |
| NP4 | C02 | O01 | 111.1° | 120.0° |
| O03 | C02 | O01 | 121.5° | 119.9° |
| C02 | O01 | C44 | 124.7° | 120.0° |
| O01 | C44 | C45 | 120.4° | 110.5° |
| O01 | C44 | C48 | 132.5° | 110.5° |
| O01 | C44 | H44 | 42.8° | 110.4° |
| C45 | C44 | C48 | 106.8° | 104.2° |
| C45 | C44 | H44 | 146.6° | 110.5° |
| C44 | C45 | O46 | 97.0° | 104.7° |
| C44 | C45 | H451 | 117.1° | 110.3° |
| C44 | C45 | H452 | 117.0° | 110.6° |
| C48 | C44 | H44 | 98.4° | 110.5° |
| C44 | C48 | C47 | 98.6° | 104.1° |
| C44 | C48 | H481 | 116.4° | 110.5° |
| C44 | C48 | H482 | 116.4° | 110.6° |
| O46 | C45 | H451 | 117.1° | 110.3° |
| O46 | C45 | H452 | 117.1° | 110.4° |
| C45 | O46 | C47 | 109.7° | 105.4° |
| H451 | C45 | H452 | 93.3° | 110.4° |
| O46 | C47 | C48 | 105.0° | 104.8° |
| O46 | C47 | H471 | 113.9° | 110.4° |
| O46 | C47 | H472 | 113.9° | 110.4° |
| C48 | C47 | H471 | 113.9° | 110.3° |
| C48 | C47 | H472 | 113.9° | 110.3° |
| C47 | C48 | H481 | 116.4° | 110.5° |
| C47 | C48 | H482 | 116.4° | 110.5° |
| H471 | C47 | H472 | 96.6° | 110.4° |
| H481 | C48 | H482 | 94.0° | 110.5° |
| C37 | C36 | H361 | 112.3° | 109.4° |
| C37 | C36 | H362 | 112.4° | 109.5° |
| C36 | C37 | C38 | 117.9° | 120.0° |
| C36 | C37 | C42 | 123.9° | 120.0° |
| H361 | C36 | H362 | 98.1° | 109.5° |
| C38 | C37 | C42 | 118.1° | 120.0° |
| C37 | C38 | C39 | 120.4° | 120.0° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C37 | C42 | C41 | 121.3° | 120.0° |
| C37 | C42 | H42 | 119.1° | 120.0° |
| C39 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | C40 | 121.5° | 120.0° |
| C38 | C39 | H39 | 119.4° | 120.0° |
| C40 | C39 | H39 | 119.1° | 120.0° |
| C39 | C40 | C41 | 118.6° | 120.0° |
| C39 | C40 | H40 | 120.8° | 120.0° |
| C41 | C40 | H40 | 120.6° | 120.0° |
| C40 | C41 | C42 | 120.0° | 120.0° |
| C40 | C41 | H41 | 119.4° | 120.0° |
| C42 | C41 | H41 | 120.6° | 120.0° |
| C41 | C42 | H42 | 119.6° | 120.0° |
| HN11 | N1 | HN12 | 107.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | N1 | 171.9° | 120.0° |
| O2 | C1 | O1 | H1 | 78.6° | 120.0° |
| O2 | C1 | N1 | H1 | 70.3° | 120.0° |
| O2 | C1 | O1 | C20 | 178.6° | 60.0° |
| O2 | C1 | N1 | HN11 | 54.7° | 60.0° |
| O2 | C1 | N1 | HN12 | 180.0° | 173.8° |
| HO2 | O2 | C1 | O1 | 180.0° | 60.0° |
| HO2 | O2 | C1 | N1 | 8.7° | 60.0° |
| HO2 | O2 | C1 | H1 | 76.3° | 180.0° |
| O1 | C1 | N1 | H1 | 118.0° | 120.0° |
| C1 | O1 | C20 | C22 | 85.1° | 94.1° |
| C1 | O1 | C20 | C19 | 161.8° | 152.7° |
| C1 | O1 | C20 | H20 | 38.2° | 29.3° |
| O1 | C1 | N1 | HN11 | 133.6° | 180.0° |
| O1 | C1 | N1 | HN12 | 8.4° | 66.2° |
| N1 | C1 | O1 | C20 | 9.5° | 60.0° |
| C1 | N1 | HN11 | HN12 | 134.0° | 113.8° |
| H1 | C1 | O1 | C20 | 100.0° | 180.0° |
| H1 | C1 | N1 | HN11 | 15.6° | 60.0° |
| H1 | C1 | N1 | HN12 | 109.7° | 53.8° |
| O1 | C20 | C22 | C19 | 112.0° | 118.3° |
| O1 | C20 | C22 | H20 | 124.1° | 123.4° |
| O1 | C20 | C19 | H20 | 124.1° | 123.3° |
| O1 | C20 | C22 | C23 | 74.4° | 91.9° |
| O1 | C20 | C22 | H221 | 160.4° | 27.0° |
| O1 | C20 | C22 | H222 | 50.8° | 149.2° |
| O1 | C20 | C19 | C28 | 75.4° | 92.0° |
| O1 | C20 | C19 | C35 | 50.6° | 26.9° |
| O1 | C20 | C19 | H19 | 162.8° | 149.2° |
| C22 | C20 | C19 | H20 | 123.4° | 118.3° |
| C20 | C22 | C23 | H221 | 125.3° | 118.9° |
| C20 | C22 | C23 | H222 | 125.2° | 118.9° |
| C20 | C22 | H221 | H222 | 122.5° | 122.1° |
| C20 | C22 | C23 | C24 | 159.5° | 162.8° |
| C20 | C22 | C23 | C28 | 23.9° | 17.2° |
| C22 | C20 | C19 | C28 | 37.2° | 26.4° |
| C22 | C20 | C19 | C35 | 163.1° | 145.2° |
| C22 | C20 | C19 | H19 | 84.7° | 92.4° |
| C19 | C20 | C22 | C23 | 37.6° | 26.5° |
| C19 | C20 | C22 | H221 | 87.6° | 145.3° |
| C19 | C20 | C22 | H222 | 162.9° | 92.5° |
| C20 | C19 | C28 | C23 | 21.8° | 17.2° |
| C20 | C19 | C28 | C27 | 162.0° | 162.8° |
| C20 | C19 | C28 | C35 | 123.4° | 119.0° |
| C20 | C19 | C28 | H19 | 124.5° | 118.9° |
| C20 | C19 | C35 | H19 | 124.1° | 122.4° |
| C20 | C19 | C35 | C17 | 108.0° | 166.6° |
| C20 | C19 | C35 | C30 | 70.0° | 52.7° |
| C20 | C19 | C35 | H35 | 90.1° | 70.3° |
| H20 | C20 | C22 | C23 | 161.5° | 144.8° |
| H20 | C20 | C22 | H221 | 36.2° | 96.4° |
| H20 | C20 | C22 | H222 | 73.3° | 25.9° |
| H20 | C20 | C19 | C28 | 160.6° | 144.7° |
| H20 | C20 | C19 | C35 | 73.5° | 96.4° |
| H20 | C20 | C19 | H19 | 38.7° | 25.9° |
| C23 | C22 | H221 | H222 | 122.5° | 122.2° |
| C22 | C23 | C24 | C28 | 176.3° | 180.0° |
| C22 | C23 | C24 | C25 | 174.5° | 180.0° |
| C22 | C23 | C24 | H24 | 5.6° | 0.0° |
| C22 | C23 | C28 | C27 | 175.4° | 180.0° |
| C22 | C23 | C28 | C19 | 1.2° | 0.0° |
| H221 | C22 | C23 | C24 | 75.2° | 43.9° |
| H221 | C22 | C23 | C28 | 101.4° | 136.1° |
| H222 | C22 | C23 | C24 | 34.3° | 78.3° |
| H222 | C22 | C23 | C28 | 149.1° | 101.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.1° | 0.0° |
| C23 | C24 | C25 | H25 | 178.9° | 180.0° |
| C24 | C23 | C28 | C27 | 1.4° | 0.0° |
| C24 | C23 | C28 | C19 | 178.0° | 180.0° |
| C28 | C23 | C24 | C25 | 1.8° | 0.0° |
| C28 | C23 | C24 | H24 | 178.1° | 180.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.0° |
| C23 | C28 | C27 | C19 | 175.9° | 180.0° |
| C23 | C28 | C27 | H27 | 179.8° | 180.0° |
| C23 | C28 | C19 | C35 | 145.2° | 136.2° |
| C23 | C28 | C19 | H19 | 102.7° | 101.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| H24 | C24 | C25 | C26 | 178.8° | 180.0° |
| H24 | C24 | C25 | H25 | 1.1° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | H27 | 179.5° | 180.0° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C19 | 176.1° | 180.0° |
| H26 | C26 | C27 | C28 | 179.5° | 180.0° |
| H26 | C26 | C27 | H27 | 0.5° | 0.0° |
| C27 | C28 | C19 | C35 | 38.6° | 43.8° |
| C27 | C28 | C19 | H19 | 73.5° | 78.3° |
| H27 | C27 | C28 | C19 | 3.9° | 0.0° |
| C28 | C19 | C35 | H19 | 121.3° | 122.0° |
| C28 | C19 | C35 | C17 | 137.4° | 77.8° |
| C28 | C19 | C35 | C30 | 44.6° | 168.3° |
| C28 | C19 | C35 | H35 | 24.4° | 45.3° |
| C19 | C35 | C17 | C30 | 178.4° | 118.5° |
| C19 | C35 | C17 | H35 | 13.7° | 123.0° |
| C19 | C35 | C30 | H35 | 8.8° | 123.0° |
| C19 | C35 | C17 | O18 | 8.1° | 39.4° |
| C19 | C35 | C17 | C09 | 175.4° | 140.4° |
| C19 | C35 | C30 | N29 | 179.1° | 155.5° |
| C19 | C35 | C30 | H301 | 55.7° | 37.2° |
| C19 | C35 | C30 | H302 | 53.8° | 86.1° |
| H19 | C19 | C35 | C17 | 16.1° | 44.2° |
| H19 | C19 | C35 | C30 | 165.9° | 69.7° |
| H19 | C19 | C35 | H35 | 145.8° | 167.3° |
| C17 | C35 | C30 | H35 | 173.0° | 118.5° |
| C35 | C17 | O18 | C09 | 176.0° | 179.7° |
| C35 | C17 | C09 | N29 | 5.5° | 1.1° |
| C35 | C17 | C09 | C10 | 117.4° | 118.4° |
| C35 | C17 | C09 | C08 | 121.2° | 120.5° |
| C17 | C35 | C30 | N29 | 0.9° | 37.0° |
| C17 | C35 | C30 | H301 | 126.1° | 81.3° |
| C17 | C35 | C30 | H302 | 124.4° | 155.3° |
| C30 | C35 | C17 | O18 | 173.5° | 157.9° |
| C30 | C35 | C17 | C09 | 3.0° | 21.9° |
| C35 | C30 | N29 | C09 | 4.6° | 38.3° |
| C35 | C30 | N29 | H301 | 125.3° | 118.3° |
| C35 | C30 | N29 | H302 | 125.3° | 118.3° |
| C35 | C30 | N29 | H29 | 129.9° | 151.5° |
| C35 | C30 | H301 | H302 | 116.2° | 123.3° |
| H35 | C35 | C17 | O18 | 5.6° | 83.7° |
| H35 | C35 | C17 | C09 | 170.9° | 96.6° |
| H35 | C35 | C30 | N29 | 172.1° | 81.5° |
| H35 | C35 | C30 | H301 | 46.8° | 160.2° |
| H35 | C35 | C30 | H302 | 62.7° | 36.8° |
| O18 | C17 | C09 | N29 | 171.1° | 179.1° |
| O18 | C17 | C09 | C10 | 66.0° | 61.3° |
| O18 | C17 | C09 | C08 | 55.4° | 59.8° |
| C17 | C09 | N29 | C10 | 117.9° | 119.7° |
| C17 | C09 | N29 | C08 | 114.1° | 119.3° |
| C17 | C09 | C10 | C08 | 118.8° | 121.0° |
| C17 | C09 | N29 | C30 | 5.7° | 25.0° |
| C17 | C09 | N29 | H29 | 131.0° | 138.2° |
| C17 | C09 | C10 | C11 | 46.0° | 62.6° |
| C17 | C09 | C10 | H101 | 79.2° | 177.5° |
| C17 | C09 | C10 | H102 | 171.3° | 57.5° |
| C17 | C09 | C08 | C06 | 69.1° | 60.2° |
| C17 | C09 | C08 | H081 | 165.6° | 59.8° |
| C17 | C09 | C08 | H082 | 56.2° | 179.8° |
| N29 | C09 | C10 | C08 | 127.1° | 121.0° |
| C09 | N29 | C30 | H29 | 125.3° | 113.2° |
| C09 | N29 | C30 | H301 | 129.8° | 80.0° |
| C09 | N29 | C30 | H302 | 120.7° | 156.6° |
| N29 | C09 | C10 | C11 | 68.1° | 55.5° |
| N29 | C09 | C10 | H101 | 166.7° | 64.5° |
| N29 | C09 | C10 | H102 | 57.2° | 175.5° |
| N29 | C09 | C08 | C06 | 41.3° | 57.6° |
| N29 | C09 | C08 | H081 | 84.0° | 177.6° |
| N29 | C09 | C08 | H082 | 166.6° | 62.4° |
| C10 | C09 | N29 | C30 | 112.2° | 94.7° |
| C10 | C09 | N29 | H29 | 13.1° | 18.5° |
| C09 | C10 | C11 | H101 | 125.2° | 120.0° |
| C09 | C10 | C11 | H102 | 125.2° | 120.1° |
| C09 | C10 | H101 | H102 | 117.6° | 120.0° |
| C09 | C10 | C11 | C12 | 86.0° | 90.0° |
| C09 | C10 | C11 | C16 | 93.1° | 90.3° |
| C10 | C09 | C08 | C06 | 171.5° | 178.6° |
| C10 | C09 | C08 | H081 | 46.2° | 61.4° |
| C10 | C09 | C08 | H082 | 63.2° | 58.6° |
| C08 | C09 | N29 | C30 | 119.8° | 144.2° |
| C08 | C09 | N29 | H29 | 115.0° | 102.5° |
| C08 | C09 | C10 | C11 | 164.8° | 176.5° |
| C08 | C09 | C10 | H101 | 39.6° | 56.5° |
| C08 | C09 | C10 | H102 | 69.9° | 63.5° |
| C09 | C08 | C06 | H081 | 125.3° | 119.9° |
| C09 | C08 | C06 | H082 | 125.3° | 120.0° |
| C09 | C08 | H081 | H082 | 117.5° | 120.0° |
| C09 | C08 | C06 | O07 | 97.7° | 64.9° |
| C09 | C08 | C06 | C05 | 146.8° | 175.1° |
| C09 | C08 | C06 | H06 | 27.3° | 55.1° |
| N29 | C30 | H301 | H302 | 116.2° | 123.4° |
| H29 | N29 | C30 | H301 | 104.9° | 33.3° |
| H29 | N29 | C30 | H302 | 4.6° | 90.1° |
| C11 | C10 | H101 | H102 | 117.7° | 120.0° |
| C10 | C11 | C12 | C16 | 179.1° | 179.7° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 0.1° | 0.1° |
| C10 | C11 | C16 | C15 | 179.5° | 179.8° |
| C10 | C11 | C16 | H16 | 0.5° | 0.2° |
| H101 | C10 | C11 | C12 | 148.8° | 30.0° |
| H101 | C10 | C11 | C16 | 32.1° | 149.7° |
| H102 | C10 | C11 | C12 | 39.3° | 150.0° |
| H102 | C10 | C11 | C16 | 141.6° | 29.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.0° |
| C11 | C12 | C13 | H13 | 178.7° | 179.9° |
| C12 | C11 | C16 | C15 | 0.4° | 0.5° |
| C12 | C11 | C16 | H16 | 179.6° | 179.9° |
| C16 | C11 | C12 | C13 | 0.8° | 0.3° |
| C16 | C11 | C12 | H12 | 179.3° | 179.8° |
| C11 | C16 | C15 | C14 | 0.7° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | C16 | C15 | H15 | 179.3° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C12 | C13 | C14 | H14 | 178.4° | 179.9° |
| H12 | C12 | C13 | C14 | 178.7° | 180.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.3° | 0.2° |
| C13 | C14 | C15 | H15 | 178.7° | 180.0° |
| H13 | C13 | C14 | C15 | 178.5° | 180.0° |
| H13 | C13 | C14 | H14 | 1.6° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| H14 | C14 | C15 | C16 | 178.7° | 179.9° |
| H14 | C14 | C15 | H15 | 1.3° | 0.1° |
| H15 | C15 | C16 | H16 | 0.7° | 0.2° |
| C06 | C08 | H081 | H082 | 117.5° | 120.0° |
| C08 | C06 | O07 | C05 | 118.4° | 120.0° |
| C08 | C06 | O07 | H06 | 122.5° | 120.0° |
| C08 | C06 | C05 | H06 | 123.5° | 120.0° |
| C08 | C06 | O07 | H07 | 180.0° | 60.0° |
| C08 | C06 | C05 | NP4 | 52.3° | 60.0° |
| C08 | C06 | C05 | C36 | 177.8° | 180.0° |
| C08 | C06 | C05 | H05 | 65.3° | 60.0° |
| H081 | C08 | C06 | O07 | 27.6° | 175.2° |
| H081 | C08 | C06 | C05 | 88.0° | 55.2° |
| H081 | C08 | C06 | H06 | 152.6° | 64.8° |
| H082 | C08 | C06 | O07 | 137.1° | 55.1° |
| H082 | C08 | C06 | C05 | 21.5° | 64.9° |
| H082 | C08 | C06 | H06 | 98.0° | 175.1° |
| O07 | C06 | C05 | H06 | 125.7° | 120.0° |
| O07 | C06 | C05 | NP4 | 58.5° | 60.0° |
| O07 | C06 | C05 | C36 | 67.0° | 60.0° |
| O07 | C06 | C05 | H05 | 176.1° | 180.0° |
| C05 | C06 | O07 | H07 | 61.6° | 60.0° |
| C06 | C05 | NP4 | C36 | 129.3° | 120.0° |
| C06 | C05 | NP4 | H05 | 112.6° | 120.0° |
| C06 | C05 | C36 | H05 | 112.5° | 120.0° |
| C06 | C05 | NP4 | C02 | 92.9° | 155.1° |
| C06 | C05 | NP4 | HP4 | 87.1° | 25.0° |
| C06 | C05 | C36 | C37 | 175.9° | 175.0° |
| C06 | C05 | C36 | H361 | 50.6° | 65.0° |
| C06 | C05 | C36 | H362 | 58.9° | 55.0° |
| H06 | C06 | O07 | H07 | 57.5° | 180.0° |
| H06 | C06 | C05 | NP4 | 175.8° | 180.0° |
| H06 | C06 | C05 | C36 | 58.7° | 60.0° |
| H06 | C06 | C05 | H05 | 58.3° | 60.0° |
| NP4 | C05 | C36 | H05 | 118.6° | 120.0° |
| C05 | NP4 | C02 | HP4 | 180.0° | 179.9° |
| C05 | NP4 | C02 | O03 | 10.3° | 0.0° |
| C05 | NP4 | C02 | O01 | 170.6° | 180.0° |
| NP4 | C05 | C36 | C37 | 55.2° | 65.0° |
| NP4 | C05 | C36 | H361 | 179.5° | 55.0° |
| NP4 | C05 | C36 | H362 | 70.1° | 175.0° |
| C36 | C05 | NP4 | C02 | 137.8° | 85.0° |
| C36 | C05 | NP4 | HP4 | 42.2° | 95.0° |
| C05 | C36 | C37 | H361 | 125.3° | 120.0° |
| C05 | C36 | C37 | H362 | 125.3° | 120.0° |
| C05 | C36 | H361 | H362 | 118.3° | 120.1° |
| C05 | C36 | C37 | C38 | 67.8° | 90.0° |
| C05 | C36 | C37 | C42 | 109.6° | 90.3° |
| H05 | C05 | NP4 | C02 | 19.7° | 35.0° |
| H05 | C05 | NP4 | HP4 | 160.3° | 145.0° |
| H05 | C05 | C36 | C37 | 63.4° | 55.0° |
| H05 | C05 | C36 | H361 | 61.9° | 174.9° |
| H05 | C05 | C36 | H362 | 171.4° | 65.0° |
| NP4 | C02 | O03 | O01 | 179.1° | 179.9° |
| NP4 | C02 | O01 | C44 | 154.4° | 180.0° |
| HP4 | NP4 | C02 | O03 | 169.8° | 180.0° |
| HP4 | NP4 | C02 | O01 | 9.4° | 0.1° |
| O03 | C02 | O01 | C44 | 24.8° | 0.0° |
| C02 | O01 | C44 | C45 | 160.7° | 93.3° |
| C02 | O01 | C44 | C48 | 27.3° | 151.9° |
| C02 | O01 | C44 | H44 | 18.4° | 29.3° |
| O01 | C44 | C45 | C48 | 173.9° | 118.7° |
| O01 | C44 | C45 | H44 | 48.9° | 122.5° |
| O01 | C44 | C48 | H44 | 29.4° | 122.6° |
| O01 | C44 | C45 | O46 | 126.4° | 142.5° |
| O01 | C44 | C45 | H451 | 108.4° | 23.8° |
| O01 | C44 | C45 | H452 | 1.1° | 98.6° |
| O01 | C44 | C48 | C47 | 139.6° | 118.6° |
| O01 | C44 | C48 | H481 | 14.3° | 122.7° |
| O01 | C44 | C48 | H482 | 95.2° | 0.0° |
| C45 | C44 | C48 | H44 | 157.8° | 118.8° |
| C44 | C45 | O46 | H451 | 125.3° | 118.7° |
| C44 | C45 | O46 | H452 | 125.2° | 119.0° |
| C44 | C45 | H451 | H452 | 122.7° | 122.5° |
| C44 | C45 | O46 | C47 | 43.1° | 40.4° |
| C45 | C44 | C48 | C47 | 33.2° | 0.0° |
| C45 | C44 | C48 | H481 | 158.5° | 118.6° |
| C45 | C44 | C48 | H482 | 92.0° | 118.7° |
| C48 | C44 | C45 | O46 | 47.5° | 23.8° |
| C48 | C44 | C45 | H451 | 77.8° | 94.9° |
| C48 | C44 | C45 | H452 | 172.8° | 142.7° |
| C44 | C48 | C47 | O46 | 6.6° | 24.0° |
| C44 | C48 | C47 | H481 | 125.3° | 118.6° |
| C44 | C48 | C47 | H482 | 125.2° | 118.7° |
| C44 | C48 | C47 | H471 | 131.8° | 142.8° |
| C44 | C48 | C47 | H472 | 118.7° | 94.9° |
| C44 | C48 | H481 | H482 | 122.1° | 122.7° |
| H44 | C44 | C45 | O46 | 175.3° | 94.9° |
| H44 | C44 | C45 | H451 | 59.4° | 146.4° |
| H44 | C44 | C45 | H452 | 50.0° | 23.9° |
| H44 | C44 | C48 | C47 | 169.0° | 118.8° |
| H44 | C44 | C48 | H481 | 43.7° | 0.2° |
| H44 | C44 | C48 | H482 | 65.8° | 122.5° |
| O46 | C45 | H451 | H452 | 122.8° | 122.3° |
| C45 | O46 | C47 | C48 | 23.9° | 40.4° |
| C45 | O46 | C47 | H471 | 101.3° | 159.2° |
| C45 | O46 | C47 | H472 | 149.1° | 78.4° |
| H451 | C45 | O46 | C47 | 82.1° | 78.3° |
| H452 | C45 | O46 | C47 | 168.4° | 159.3° |
| O46 | C47 | C48 | H471 | 125.2° | 118.8° |
| O46 | C47 | C48 | H472 | 125.2° | 118.8° |
| O46 | C47 | H471 | H472 | 119.8° | 122.4° |
| O46 | C47 | C48 | H481 | 131.9° | 94.7° |
| O46 | C47 | C48 | H482 | 118.6° | 142.7° |
| C48 | C47 | H471 | H472 | 119.8° | 122.3° |
| C47 | C48 | H481 | H482 | 122.2° | 122.6° |
| H471 | C47 | C48 | H481 | 102.9° | 24.1° |
| H471 | C47 | C48 | H482 | 6.6° | 98.5° |
| H472 | C47 | C48 | H481 | 6.6° | 146.5° |
| H472 | C47 | C48 | H482 | 116.1° | 23.8° |
| C37 | C36 | H361 | H362 | 118.3° | 120.0° |
| C36 | C37 | C38 | C42 | 177.6° | 179.7° |
| C36 | C37 | C38 | C39 | 173.6° | 180.0° |
| C36 | C37 | C38 | H38 | 6.4° | 0.1° |
| C36 | C37 | C42 | C41 | 174.8° | 179.8° |
| C36 | C37 | C42 | H42 | 5.2° | 0.2° |
| H361 | C36 | C37 | C38 | 57.5° | 30.0° |
| H361 | C36 | C37 | C42 | 125.1° | 149.7° |
| H362 | C36 | C37 | C38 | 166.9° | 149.9° |
| H362 | C36 | C37 | C42 | 15.7° | 29.7° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 2.4° | 0.1° |
| C37 | C38 | C39 | H39 | 177.6° | 179.9° |
| C38 | C37 | C42 | C41 | 2.6° | 0.5° |
| C38 | C37 | C42 | H42 | 177.4° | 179.9° |
| C42 | C37 | C38 | C39 | 4.0° | 0.3° |
| C42 | C37 | C38 | H38 | 176.0° | 179.8° |
| C37 | C42 | C41 | C40 | 0.5° | 0.4° |
| C37 | C42 | C41 | H42 | 180.0° | 179.6° |
| C37 | C42 | C41 | H41 | 179.5° | 179.7° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.8° | 0.0° |
| C38 | C39 | C40 | H40 | 179.3° | 180.0° |
| H38 | C38 | C39 | C40 | 177.6° | 179.9° |
| H38 | C38 | C39 | H39 | 2.4° | 0.0° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 2.2° | 0.1° |
| C39 | C40 | C41 | H41 | 177.9° | 180.0° |
| H39 | C39 | C40 | C41 | 179.2° | 180.0° |
| H39 | C39 | C40 | H40 | 0.7° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | H42 | 179.5° | 180.0° |
| H40 | C40 | C41 | C42 | 177.9° | 179.9° |
| H40 | C40 | C41 | H41 | 2.1° | 0.0° |
| H41 | C41 | C42 | H42 | 0.5° | 0.1° |
